#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gyn s MET 2 N 0.00 4.57 0.27 4.33 1.00 -1.26 -1.68 119.30 126.53 3gyn s MET 2 Ca 0.00 1.74 -0.04 0.00 0.00 0.00 0.00 55.69 57.39 3gyn s MET 2 Cb 0.00 -3.28 0.35 0.00 0.00 0.00 0.00 34.83 31.90 3gyn s MET 2 CO 0.00 0.03 1.90 0.66 0.00 0.00 0.00 175.02 177.61 3gyn h SER 3 N 5.23 0.98 -5.01 3.03 4.64 -1.40 -3.40 113.55 117.62 3gyn h SER 3 Ca -0.44 -0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 60.63 3gyn h SER 3 Cb 1.21 -0.25 -0.20 0.00 -0.31 0.00 0.00 62.40 62.85 3gyn h SER 3 CO 0.73 0.78 -0.70 -0.31 -0.87 0.00 0.00 176.83 176.47 3gyn s TYR 4 N -5.74 0.33 -0.02 4.77 2.02 -1.26 -0.74 117.35 116.71 3gyn s TYR 4 Ca -0.12 -0.62 0.07 0.00 -0.37 0.00 0.00 57.07 56.03 3gyn s TYR 4 Cb 0.17 -0.24 -0.02 0.00 -0.40 0.00 0.00 41.96 41.48 3gyn s TYR 4 CO 0.81 -0.22 -0.23 0.99 -1.57 0.00 0.00 175.55 175.33 3gyn s THR 5 N -1.89 1.84 0.01 -0.71 2.01 0.19 -4.84 115.64 112.25 3gyn s THR 5 Ca -0.12 -0.99 0.08 0.00 0.31 0.00 0.00 61.69 60.97 3gyn s THR 5 Cb -0.07 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 3gyn s THR 5 CO -0.03 0.52 -0.23 0.26 -0.69 0.00 0.00 174.62 174.45 3gyn s TRP 6 N -0.51 2.42 -0.13 4.92 0.52 -1.26 -0.22 118.94 124.68 3gyn s TRP 6 Ca 0.08 -0.36 0.16 0.00 0.02 0.00 0.00 56.10 56.00 3gyn s TRP 6 Cb -0.09 -1.47 -0.06 0.00 -1.15 0.00 0.00 33.47 30.70 3gyn s TRP 6 CO -0.01 0.11 1.07 1.79 0.02 0.00 0.00 176.95 179.94 3gyn h THR 7 N 4.26 0.65 0.00 2.01 1.35 -1.45 -3.47 112.91 116.27 3gyn h THR 7 Ca -0.46 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.31 3gyn h THR 7 Cb 1.14 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 3gyn h THR 7 CO 0.46 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 3gyn n GLY 8 N 1.32 2.66 3.78 5.82 0.00 -1.26 -5.05 105.19 112.45 3gyn n GLY 8 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3gyn n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyn s ALA 9 N -2.41 3.56 0.46 4.61 0.00 -1.26 -4.97 121.76 121.75 3gyn s ALA 9 Ca 0.00 1.55 -0.18 0.00 0.00 0.00 0.00 51.96 53.32 3gyn s ALA 9 Cb 0.00 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 3gyn s ALA 9 CO 0.00 -1.03 0.95 -0.51 0.00 0.00 0.00 175.76 175.17 3gyn s LEU 10 N -2.10 3.80 -0.31 0.00 1.43 -1.26 -4.78 118.68 115.46 3gyn s LEU 10 Ca 0.53 1.60 -0.29 0.00 -1.03 0.00 0.00 54.13 54.93 3gyn s LEU 10 Cb -0.46 -4.49 0.01 0.00 0.03 0.00 0.00 46.19 41.29 3gyn s LEU 10 CO 0.62 -0.45 1.10 -0.63 0.23 0.00 0.00 176.35 177.22 3gyn s ILE 11 N -2.38 4.47 0.07 -0.59 1.01 -1.26 -4.81 121.20 117.71 3gyn s ILE 11 Ca 0.60 1.70 0.03 0.00 0.00 0.00 0.00 60.65 62.98 3gyn s ILE 11 Cb -0.09 -4.38 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 3gyn s ILE 11 CO 0.22 -0.47 0.03 0.42 0.00 0.00 0.00 174.94 175.14 3gyn s THR 12 N 3.71 4.25 0.57 2.92 -4.23 -1.26 -4.81 115.64 116.78 3gyn s THR 12 Ca 0.47 -0.83 -0.08 0.00 -1.18 0.00 0.00 61.69 60.07 3gyn s THR 12 Cb -0.13 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 3gyn s THR 12 CO 0.16 0.17 0.93 -2.16 -0.54 0.00 0.00 174.62 173.18 3gyn s PRO 13 N -2.20 3.48 -0.13 3.99 0.04 -1.26 -4.36 135.00 134.56 3gyn s PRO 13 Ca 0.26 0.46 -0.19 0.00 0.04 0.00 0.00 61.00 61.56 3gyn s PRO 13 Cb -0.12 -2.21 -0.17 0.00 0.04 0.00 0.00 34.50 32.04 3gyn s PRO 13 CO 0.18 -0.46 0.47 0.00 0.04 0.00 0.00 177.00 177.23 3gyn s ALA 15 N -2.34 3.45 0.45 0.00 0.00 -1.26 -5.11 121.76 116.94 3gyn s ALA 15 Ca -0.14 -1.75 -0.24 0.00 0.00 0.00 0.00 51.96 49.83 3gyn s ALA 15 Cb -0.01 0.12 -0.09 0.00 0.00 0.00 0.00 23.12 23.13 3gyn s ALA 15 CO 0.47 -0.09 1.07 0.00 0.00 0.00 0.00 175.76 177.20 3gyn n ALA 16 N -1.06 0.45 -2.95 0.00 0.00 -1.26 -5.00 120.51 110.69 3gyn n ALA 16 Ca -0.09 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 3gyn n ALA 16 Cb 0.67 -2.13 -0.15 0.00 0.00 0.00 0.00 19.45 17.84 3gyn n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gyn s GLU 17 N -2.18 2.99 -0.11 0.00 2.02 -1.26 -5.11 118.70 115.05 3gyn s GLU 17 Ca 0.65 -0.78 -0.18 0.00 0.02 0.00 0.00 54.97 54.67 3gyn s GLU 17 Cb -0.52 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 3gyn s GLU 17 CO 0.56 0.30 0.49 -1.21 0.02 0.00 0.00 175.26 175.42 3gyn s GLU 18 N 0.07 4.33 -0.13 1.61 2.02 -1.26 -4.95 118.70 120.39 3gyn s GLU 18 Ca -0.08 0.48 0.15 0.00 0.02 0.00 0.00 54.97 55.54 3gyn s GLU 18 Cb -0.15 -3.43 -0.21 0.00 0.10 0.00 0.00 34.13 30.44 3gyn s GLU 18 CO 0.05 0.17 0.12 -1.13 0.02 0.00 0.00 175.26 174.50 3gyn n SER 19 N 3.60 1.02 -4.84 -0.19 3.41 -1.26 -4.54 113.62 110.81 3gyn n SER 19 Ca -0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.20 3gyn n SER 19 Cb 0.52 1.09 -0.06 0.00 -0.26 0.00 0.00 64.21 65.49 3gyn n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gyn s LYS 20 N -2.56 4.00 0.03 4.33 -0.14 -1.26 -1.02 119.74 123.12 3gyn s LYS 20 Ca -0.08 0.55 -0.30 0.00 -1.36 0.00 0.00 55.97 54.79 3gyn s LYS 20 Cb 0.06 -2.78 -0.09 0.00 -1.68 0.00 0.00 37.83 33.34 3gyn s LYS 20 CO 0.67 0.38 1.90 -1.17 -0.76 0.00 0.00 175.35 176.37 3gyn s LEU 21 N -2.30 4.41 0.39 3.17 2.96 -1.25 -4.87 118.68 121.20 3gyn s LEU 21 Ca 0.43 2.61 -0.26 0.00 -0.22 0.00 0.00 54.13 56.69 3gyn s LEU 21 Cb -0.14 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 3gyn s LEU 21 CO 0.20 -1.03 1.28 -2.84 -1.32 0.00 0.00 176.35 172.64 3gyn s PRO 22 N 4.16 4.03 -0.08 0.98 0.02 -1.26 -5.03 135.00 137.83 3gyn s PRO 22 Ca 0.85 2.11 0.04 0.00 0.02 0.00 0.00 61.00 64.02 3gyn s PRO 22 Cb -0.42 -2.79 -0.00 0.00 0.02 0.00 0.00 34.50 31.32 3gyn s PRO 22 CO 0.39 -0.42 -0.22 0.42 -0.33 0.00 0.00 177.00 176.83 3gyn s ILE 23 N -1.27 1.91 0.00 2.83 -1.09 -1.26 -4.65 121.20 117.67 3gyn s ILE 23 Ca 0.56 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 3gyn s ILE 23 Cb -0.37 -1.65 0.00 0.00 -1.58 0.00 0.00 42.46 38.86 3gyn s ILE 23 CO 0.48 0.53 0.00 -0.46 -1.23 0.00 0.00 174.94 174.25 3gyn n ASN 24 N 3.43 1.12 0.11 3.58 6.94 -1.26 -5.03 115.26 124.15 3gyn n ASN 24 Ca -0.19 -0.36 0.11 0.00 -0.02 0.00 0.00 54.58 54.12 3gyn n ASN 24 Cb 0.53 0.00 0.46 0.00 -2.36 0.00 0.00 39.78 38.41 3gyn n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gyn n ALA 25 N -3.00 1.76 0.68 -2.53 0.00 -1.26 -3.11 120.51 113.05 3gyn n ALA 25 Ca 0.00 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.60 3gyn n ALA 25 Cb 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3gyn n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gyn n LEU 26 N -2.13 0.65 0.09 0.00 4.77 -1.26 -4.64 117.00 114.48 3gyn n LEU 26 Ca 0.03 -0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 3gyn n LEU 26 Cb 0.25 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 3gyn n LEU 26 CO 0.21 0.11 0.81 0.28 -1.33 0.00 0.00 177.39 177.46 3gyn h SER 27 N 0.00 -0.14 -0.00 -1.43 0.02 -1.89 -2.91 113.55 107.21 3gyn h SER 27 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3gyn h SER 27 Cb 0.67 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 3gyn h SER 27 CO 0.00 -0.05 0.00 0.78 -1.14 0.00 0.00 176.83 176.42 3gyn h ASN 28 N -0.20 0.00 0.32 3.07 2.35 -1.81 -1.08 115.58 118.22 3gyn h ASN 28 Ca -0.02 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3gyn h ASN 28 Cb 0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3gyn h ASN 28 CO 0.03 0.00 -0.15 0.77 -1.65 0.00 0.00 177.43 176.43 3gyn h SER 29 N 0.00 0.00 0.06 5.81 4.64 -1.82 -3.16 113.55 119.08 3gyn h SER 29 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3gyn h SER 29 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3gyn h SER 29 CO -0.00 0.15 -2.19 -0.11 -0.87 0.00 0.00 176.83 173.81 3gyn n LEU 30 N -3.83 2.70 -3.67 5.97 7.94 -0.50 -4.68 117.00 120.94 3gyn n LEU 30 Ca -0.02 0.08 -0.10 0.00 -1.11 0.00 0.00 56.01 54.86 3gyn n LEU 30 Cb 0.25 -1.01 -0.09 0.00 0.53 0.00 0.00 43.42 43.10 3gyn n LEU 30 CO 0.32 0.84 0.21 -0.22 -1.11 0.00 0.00 177.39 177.43 3gyn s LEU 31 N -6.90 -0.39 -0.20 -1.96 0.20 -0.67 -4.20 118.68 104.55 3gyn s LEU 31 Ca -0.29 1.17 0.15 0.00 0.69 0.00 0.00 54.13 55.85 3gyn s LEU 31 Cb 0.08 1.87 -0.24 0.00 -0.43 0.00 0.00 46.19 47.47 3gyn s LEU 31 CO 0.67 -0.21 0.05 0.54 -0.29 0.00 0.00 176.35 177.12 3gyn n ARG 32 N 3.82 0.68 -2.41 1.98 5.12 -0.53 -3.90 116.66 121.42 3gyn n ARG 32 Ca -0.19 0.03 -0.43 0.00 -1.93 0.00 0.00 57.85 55.33 3gyn n ARG 32 Cb 0.57 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 3gyn n ARG 32 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3gyn n HIS 33 N -2.85 3.45 0.17 -1.55 8.25 -0.68 -4.79 115.22 117.22 3gyn n HIS 33 Ca -0.34 -2.92 0.05 0.00 -0.26 0.00 0.00 57.72 54.24 3gyn n HIS 33 Cb 1.13 -2.07 0.48 0.00 1.12 0.00 0.00 29.99 30.64 3gyn n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3gyn h HIS 34 N 6.10 0.14 0.00 4.41 3.86 -1.85 -2.50 115.15 125.31 3gyn h HIS 34 Ca 0.40 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 3gyn h HIS 34 Cb 0.68 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.11 3gyn h HIS 34 CO 1.25 0.23 0.00 0.27 0.86 0.00 0.00 177.93 180.54 3gyn n ASN 35 N -4.36 0.00 0.18 2.45 6.94 -1.26 -2.42 115.26 116.80 3gyn n ASN 35 Ca -0.01 0.35 0.12 0.00 -0.02 0.00 0.00 54.58 55.01 3gyn n ASN 35 Cb 0.21 -0.43 0.12 0.00 -2.36 0.00 0.00 39.78 37.32 3gyn n ASN 35 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 3gyn h MET 36 N 0.00 0.00 -5.44 -3.83 2.86 -1.84 -3.46 114.93 103.21 3gyn h MET 36 Ca 0.00 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.01 3gyn h MET 36 Cb 0.26 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.82 3gyn h MET 36 CO 0.00 0.00 -0.47 0.08 1.06 0.00 0.00 176.91 177.58 3gyn s VAL 37 N -3.25 5.43 0.07 -2.22 1.01 -1.01 -0.36 120.40 120.06 3gyn s VAL 37 Ca 0.05 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 3gyn s VAL 37 Cb 0.06 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3gyn s VAL 37 CO 0.70 0.51 0.16 -0.72 0.00 0.00 0.00 175.10 175.75 3gyn s TYR 38 N -0.21 0.17 -0.07 5.22 1.13 -0.33 -3.83 117.35 119.43 3gyn s TYR 38 Ca 0.12 -0.55 0.01 0.00 -1.41 0.00 0.00 57.07 55.23 3gyn s TYR 38 Cb -0.12 -0.10 -0.03 0.00 -1.10 0.00 0.00 41.96 40.62 3gyn s TYR 38 CO 0.01 -0.48 -0.09 0.00 -2.51 0.00 0.00 175.55 172.47 3gyn s ALA 39 N -3.43 2.85 0.44 9.51 0.00 -0.19 -0.79 121.76 130.16 3gyn s ALA 39 Ca 0.02 -0.91 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 3gyn s ALA 39 Cb 0.03 -1.17 -0.08 0.00 0.00 0.00 0.00 23.12 21.90 3gyn s ALA 39 CO -0.09 0.51 1.13 0.95 0.00 0.00 0.00 175.76 178.27 3gyn s THR 40 N -0.59 3.29 0.18 0.00 -4.23 0.05 -4.47 115.64 109.87 3gyn s THR 40 Ca 0.09 0.97 0.00 0.00 -1.18 0.00 0.00 61.69 61.57 3gyn s THR 40 Cb -0.12 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 3gyn s THR 40 CO 0.02 -0.01 0.06 0.42 -0.54 0.00 0.00 174.62 174.57 3gyn s THR 41 N -1.58 0.34 0.38 3.99 -4.23 -1.26 -3.92 115.64 109.36 3gyn s THR 41 Ca 0.62 -1.96 0.34 0.00 -1.18 0.00 0.00 61.69 59.51 3gyn s THR 41 Cb -0.27 -2.26 0.34 0.00 1.34 0.00 0.00 72.50 71.66 3gyn s THR 41 CO 0.32 -0.30 2.04 0.77 -0.54 0.00 0.00 174.62 176.91 3gyn h SER 42 N 2.68 0.00 0.61 3.99 4.64 -1.86 -2.29 113.55 121.32 3gyn h SER 42 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3gyn h SER 42 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3gyn h SER 42 CO 0.59 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.09 3gyn n ARG 43 N -2.75 0.12 -0.12 4.77 3.00 -1.26 -1.74 116.66 118.68 3gyn n ARG 43 Ca -0.02 0.37 0.06 0.00 -0.01 0.00 0.00 57.85 58.25 3gyn n ARG 43 Cb 0.12 -1.74 0.13 0.00 0.00 0.00 0.00 32.46 30.97 3gyn n ARG 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3gyn n SER 44 N -1.97 2.65 -0.03 0.55 3.41 -0.86 -4.69 113.62 112.68 3gyn n SER 44 Ca 0.02 -1.81 0.02 0.00 -0.26 0.00 0.00 58.87 56.85 3gyn n SER 44 Cb 0.20 -0.16 0.36 0.00 -0.26 0.00 0.00 64.21 64.35 3gyn n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gyn h ALA 45 N 2.40 1.57 -0.79 7.33 0.00 -1.47 -2.40 119.26 125.89 3gyn h ALA 45 Ca 0.00 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.94 3gyn h ALA 45 Cb 0.67 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 3gyn h ALA 45 CO 0.00 0.35 0.40 0.78 0.00 0.00 0.00 179.25 180.79 3gyn h GLY 46 N 0.70 1.24 0.97 0.00 0.00 -1.84 0.13 103.07 104.27 3gyn h GLY 46 Ca 0.15 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.25 3gyn h GLY 46 CO -0.02 0.02 0.60 1.41 0.00 0.00 0.00 176.54 178.55 3gyn h LEU 47 N 0.63 1.03 -0.17 3.11 3.38 -1.79 -2.12 115.31 119.39 3gyn h LEU 47 Ca 0.41 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.32 3gyn h LEU 47 Cb 0.50 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gyn h LEU 47 CO -0.31 0.74 -0.05 -0.09 0.09 0.00 0.00 178.44 178.81 3gyn h ARG 48 N 1.21 0.33 -0.74 1.13 9.65 -1.17 -2.91 114.38 121.89 3gyn h ARG 48 Ca 0.34 -0.13 0.16 0.00 -1.10 0.00 0.00 59.98 59.25 3gyn h ARG 48 Cb -0.10 -0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 28.35 3gyn h ARG 48 CO -0.09 0.61 0.19 1.96 2.80 0.00 0.00 179.97 185.44 3gyn h GLN 49 N 0.02 0.27 -0.27 0.20 4.20 -0.63 -0.58 115.11 118.32 3gyn h GLN 49 Ca 0.04 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.77 3gyn h GLN 49 Cb 0.49 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 3gyn h GLN 49 CO 0.02 0.18 0.06 -0.22 -0.67 0.00 0.00 178.83 178.20 3gyn h LYS 50 N 0.28 0.17 -0.53 1.46 3.64 -1.33 -2.54 116.57 117.73 3gyn h LYS 50 Ca 0.42 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.78 3gyn h LYS 50 Cb 0.71 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 3gyn h LYS 50 CO -0.50 0.11 0.30 0.87 -2.27 0.00 0.00 179.45 177.96 3gyn h LYS 51 N 0.17 0.73 -0.01 1.90 1.57 -1.02 -3.23 116.57 116.69 3gyn h LYS 51 Ca 0.13 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3gyn h LYS 51 Cb 0.12 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3gyn h LYS 51 CO -0.16 0.56 -0.01 1.33 -0.57 0.00 0.00 179.45 180.59 3gyn n VAL 52 N -4.64 0.00 -3.54 0.50 0.24 -0.35 -4.76 118.33 105.77 3gyn n VAL 52 Ca 0.03 -0.23 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 3gyn n VAL 52 Cb 0.08 0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 32.80 3gyn n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3gyn s THR 53 N -2.03 4.65 0.24 3.34 2.01 -0.97 -4.66 115.64 118.23 3gyn s THR 53 Ca 0.38 -1.08 -0.19 0.00 0.31 0.00 0.00 61.69 61.11 3gyn s THR 53 Cb 0.21 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 69.02 3gyn s THR 53 CO 0.35 -0.41 0.63 0.72 -0.69 0.00 0.00 174.62 175.21 3gyn s PHE 54 N 1.54 -0.12 0.20 4.92 -0.71 -1.26 -4.97 117.98 117.58 3gyn s PHE 54 Ca 0.03 -0.28 -0.21 0.00 -1.04 0.00 0.00 56.93 55.43 3gyn s PHE 54 Cb -0.22 0.54 -0.08 0.00 -1.21 0.00 0.00 43.02 42.05 3gyn s PHE 54 CO 0.05 -1.09 0.73 0.34 -1.34 0.00 0.00 175.22 173.91 3gyn s ASP 55 N -2.91 7.13 -0.16 1.98 2.15 -1.26 -1.05 116.67 122.55 3gyn s ASP 55 Ca 0.12 1.46 -0.01 0.00 0.43 0.00 0.00 52.55 54.54 3gyn s ASP 55 Cb -0.04 -2.43 -0.01 0.00 -0.30 0.00 0.00 42.92 40.14 3gyn s ASP 55 CO 0.03 0.08 -0.10 -0.13 -0.17 0.00 0.00 175.17 174.88 3gyn s ARG 56 N -1.75 3.39 0.03 4.34 3.00 -0.68 -4.94 118.95 122.35 3gyn s ARG 56 Ca 0.41 -0.66 0.05 0.00 0.00 0.00 0.00 55.73 55.52 3gyn s ARG 56 Cb -0.18 -2.75 -0.03 0.00 0.00 0.00 0.00 34.95 31.99 3gyn s ARG 56 CO 0.22 0.10 -0.09 -0.51 0.00 0.00 0.00 175.30 175.01 3gyn s LEU 57 N 0.66 3.04 -0.04 2.53 1.43 -1.26 -2.60 118.68 122.44 3gyn s LEU 57 Ca -0.05 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3gyn s LEU 57 Cb -0.15 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.33 3gyn s LEU 57 CO 0.02 0.25 0.08 -1.58 0.23 0.00 0.00 176.35 175.36 3gyn s GLN 58 N -1.59 -0.02 -0.22 1.70 0.74 -1.26 -4.08 119.66 114.93 3gyn s GLN 58 Ca 0.18 0.34 0.01 0.00 0.05 0.00 0.00 55.36 55.94 3gyn s GLN 58 Cb -0.11 -0.32 0.05 0.00 1.10 0.00 0.00 33.01 33.72 3gyn s GLN 58 CO 0.09 -0.24 -0.12 0.08 -0.55 0.00 0.00 175.29 174.55 3gyn s VAL 59 N 1.64 1.86 -0.18 1.34 1.01 -0.31 -5.03 120.40 120.73 3gyn s VAL 59 Ca -0.03 -1.20 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 3gyn s VAL 59 Cb -0.12 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3gyn s VAL 59 CO -0.04 0.15 -0.07 -0.76 0.00 0.00 0.00 175.10 174.38 3gyn s LEU 60 N 1.29 2.90 0.00 3.92 1.43 -1.26 -4.32 118.68 122.64 3gyn s LEU 60 Ca -0.03 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3gyn s LEU 60 Cb -0.17 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3gyn s LEU 60 CO -0.08 0.08 0.00 -0.90 0.23 0.00 0.00 176.35 175.68 3gyn n ASP 61 N 4.14 1.34 -0.09 2.29 5.75 -1.26 -4.99 116.55 123.73 3gyn n ASP 61 Ca -0.18 -0.88 -0.10 0.00 -0.01 0.00 0.00 54.79 53.63 3gyn n ASP 61 Cb 0.52 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.65 3gyn n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3gyn h ASP 62 N 0.00 0.85 -0.47 -1.12 3.32 -1.99 -2.39 116.42 114.62 3gyn h ASP 62 Ca 0.00 -0.35 0.04 0.00 0.02 0.00 0.00 57.03 56.74 3gyn h ASP 62 Cb 0.00 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 3gyn h ASP 62 CO 0.00 1.09 0.25 0.45 -1.72 0.00 0.00 179.24 179.30 3gyn h HIS 63 N 0.69 0.45 -0.17 4.55 3.86 -1.97 0.27 115.15 122.84 3gyn h HIS 63 Ca 0.08 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 3gyn h HIS 63 Cb 0.85 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 29.15 3gyn h HIS 63 CO 0.05 0.23 -0.08 -0.92 0.86 0.00 0.00 177.93 178.07 3gyn h TYR 64 N 0.49 -0.18 -0.13 2.45 3.20 -1.82 -2.00 116.97 118.98 3gyn h TYR 64 Ca 0.20 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.96 3gyn h TYR 64 Cb 0.10 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3gyn h TYR 64 CO -0.10 -0.12 -0.47 0.00 -1.64 0.00 0.00 178.16 175.83 3gyn h ARG 65 N -0.06 0.34 -0.52 1.82 3.08 -1.01 -1.87 114.38 116.16 3gyn h ARG 65 Ca 0.09 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 3gyn h ARG 65 Cb 0.19 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3gyn h ARG 65 CO -0.21 0.74 0.09 -0.44 -1.07 0.00 0.00 179.97 179.09 3gyn h ASP 66 N 0.27 0.81 -0.33 7.04 3.32 -0.29 -1.41 116.42 125.84 3gyn h ASP 66 Ca 0.02 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 3gyn h ASP 66 Cb 0.94 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3gyn h ASP 66 CO 0.08 0.86 -0.15 0.58 -1.72 0.00 0.00 179.24 178.89 3gyn h VAL 67 N 0.73 1.29 -0.46 -1.35 2.07 -1.30 -2.22 116.25 115.00 3gyn h VAL 67 Ca 0.16 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.48 3gyn h VAL 67 Cb 0.39 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 3gyn h VAL 67 CO 0.01 0.41 0.17 0.25 0.02 0.00 0.00 177.57 178.42 3gyn h LEU 68 N 0.45 0.17 -0.73 2.57 5.85 -1.20 0.47 115.31 122.89 3gyn h LEU 68 Ca 0.07 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.94 3gyn h LEU 68 Cb 0.68 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 3gyn h LEU 68 CO 0.05 0.13 0.38 0.50 -0.34 0.00 0.00 178.44 179.15 3gyn h LYS 69 N 0.34 0.63 -0.35 1.25 3.64 -1.14 0.23 116.57 121.16 3gyn h LYS 69 Ca 0.22 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3gyn h LYS 69 Cb 0.22 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3gyn h LYS 69 CO -0.22 0.41 0.14 0.93 -2.27 0.00 0.00 179.45 178.44 3gyn h GLU 70 N 0.64 0.53 -0.33 1.90 5.08 -0.67 -2.01 114.58 119.72 3gyn h GLU 70 Ca 0.35 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3gyn h GLU 70 Cb 0.35 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3gyn h GLU 70 CO -0.26 0.52 0.19 0.52 -1.00 0.00 0.00 179.01 178.99 3gyn h MET 71 N 0.43 0.37 -0.76 2.33 2.86 -0.41 -2.78 114.93 116.97 3gyn h MET 71 Ca 0.12 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3gyn h MET 71 Cb 0.19 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3gyn h MET 71 CO -0.01 0.25 0.50 0.87 1.06 0.00 0.00 176.91 179.58 3gyn h LYS 72 N 0.39 0.99 -0.76 1.72 1.57 -0.83 -0.24 116.57 119.40 3gyn h LYS 72 Ca 0.13 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3gyn h LYS 72 Cb 0.01 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 3gyn h LYS 72 CO -0.07 0.66 0.38 0.00 -0.57 0.00 0.00 179.45 179.85 3gyn h ALA 73 N 1.53 0.98 -0.18 3.86 0.00 -1.11 -0.72 119.26 123.61 3gyn h ALA 73 Ca 0.28 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3gyn h ALA 73 Cb -0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 3gyn h ALA 73 CO -0.06 0.53 -0.21 0.87 0.00 0.00 0.00 179.25 180.38 3gyn h LYS 74 N 1.07 0.47 -0.69 0.00 1.57 -1.20 -3.14 116.57 114.64 3gyn h LYS 74 Ca 0.26 -0.25 0.14 0.00 -1.87 0.00 0.00 60.65 58.93 3gyn h LYS 74 Cb 0.10 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3gyn h LYS 74 CO -0.04 0.83 0.47 0.00 -0.57 0.00 0.00 179.45 180.14 3gyn h ALA 75 N 0.63 2.14 0.00 3.86 0.00 -0.87 -1.59 119.26 123.42 3gyn h ALA 75 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gyn h ALA 75 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3gyn h ALA 75 CO 0.05 -0.32 0.00 -1.13 0.00 0.00 0.00 179.25 177.85 3gyn n SER 76 N -4.46 0.00 -0.09 0.00 3.41 -0.29 -2.02 113.62 110.17 3gyn n SER 76 Ca 0.13 0.33 0.12 0.00 -0.26 0.00 0.00 58.87 59.19 3gyn n SER 76 Cb 0.50 -0.42 0.28 0.00 -0.26 0.00 0.00 64.21 64.31 3gyn n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gyn n THR 77 N -1.42 0.00 -2.89 6.66 -2.24 -0.60 -4.67 114.28 109.13 3gyn n THR 77 Ca 0.06 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 3gyn n THR 77 Cb 0.17 0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 3gyn n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gyn s VAL 78 N -2.82 4.78 -0.17 2.28 1.01 -0.85 -4.97 120.40 119.66 3gyn s VAL 78 Ca 0.16 1.77 -0.01 0.00 0.00 0.00 0.00 61.98 63.89 3gyn s VAL 78 Cb 0.18 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3gyn s VAL 78 CO 0.64 0.29 -0.11 -0.75 0.00 0.00 0.00 175.10 175.17 3gyn s LYS 79 N 0.35 3.33 0.07 2.72 2.20 -1.26 -0.31 119.74 126.83 3gyn s LYS 79 Ca 0.43 -0.68 0.09 0.00 -0.36 0.00 0.00 55.97 55.44 3gyn s LYS 79 Cb -0.21 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.32 3gyn s LYS 79 CO 0.24 0.00 -0.25 0.00 -0.36 0.00 0.00 175.35 174.99 3gyn s ALA 80 N 0.90 2.12 0.15 3.13 0.00 -0.80 -4.96 121.76 122.29 3gyn s ALA 80 Ca -0.03 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.69 3gyn s ALA 80 Cb -0.15 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 3gyn s ALA 80 CO -0.00 0.48 0.23 -1.59 0.00 0.00 0.00 175.76 174.88 3gyn s LYS 81 N -1.52 3.26 0.19 0.00 -2.85 -1.26 -4.47 119.74 113.09 3gyn s LYS 81 Ca 0.11 -0.67 -0.30 0.00 -1.00 0.00 0.00 55.97 54.10 3gyn s LYS 81 Cb -0.10 -2.87 -0.08 0.00 -2.06 0.00 0.00 37.83 32.73 3gyn s LYS 81 CO 0.03 0.52 1.01 -1.17 0.10 0.00 0.00 175.35 175.84 3gyn s LEU 82 N -3.13 4.55 0.17 2.77 2.96 -1.26 -4.53 118.68 120.22 3gyn s LEU 82 Ca 0.33 1.99 -0.16 0.00 -0.22 0.00 0.00 54.13 56.07 3gyn s LEU 82 Cb -0.11 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 3gyn s LEU 82 CO 0.27 -0.05 0.61 -0.76 -1.32 0.00 0.00 176.35 175.10 3gyn s LEU 83 N -0.65 4.34 0.81 -0.68 1.43 -0.18 -5.06 118.68 118.69 3gyn s LEU 83 Ca 0.46 1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 54.64 3gyn s LEU 83 Cb -0.27 -3.38 0.08 0.00 0.03 0.00 0.00 46.19 42.65 3gyn s LEU 83 CO 0.33 0.08 1.10 -0.94 0.23 0.00 0.00 176.35 177.15 3gyn s SER 84 N -1.69 4.39 0.15 2.29 1.04 -1.26 -4.63 113.70 113.99 3gyn s SER 84 Ca 0.40 1.32 -0.20 0.00 0.48 0.00 0.00 55.95 57.95 3gyn s SER 84 Cb -0.16 -2.05 0.04 0.00 0.10 0.00 0.00 66.02 63.95 3gyn s SER 84 CO 0.20 -2.04 1.66 0.58 0.98 0.00 0.00 173.24 174.62 3gyn h VAL 85 N -1.13 0.57 -0.43 5.02 2.07 -1.98 -1.72 116.25 118.65 3gyn h VAL 85 Ca -0.47 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.11 3gyn h VAL 85 Cb 1.27 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 3gyn h VAL 85 CO 0.59 0.00 0.12 -0.33 0.02 0.00 0.00 177.57 177.97 3gyn h GLU 86 N -0.11 0.26 -0.70 1.57 3.07 -1.98 0.91 114.58 117.61 3gyn h GLU 86 Ca 0.14 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 3gyn h GLU 86 Cb 0.32 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 3gyn h GLU 86 CO -0.34 0.17 0.38 0.93 -1.40 0.00 0.00 179.01 178.75 3gyn h GLU 87 N 0.27 0.98 -0.55 2.33 5.08 -1.85 -1.99 114.58 118.84 3gyn h GLU 87 Ca 0.20 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3gyn h GLU 87 Cb 0.22 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3gyn h GLU 87 CO -0.24 0.74 0.04 0.00 -1.00 0.00 0.00 179.01 178.55 3gyn h ALA 88 N 1.19 0.74 -0.95 3.43 0.00 -0.79 -2.98 119.26 119.90 3gyn h ALA 88 Ca 0.25 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3gyn h ALA 88 Cb 0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 3gyn h ALA 88 CO -0.04 0.53 0.61 0.00 0.00 0.00 0.00 179.25 180.35 3gyn n LYS 90 N -4.54 0.18 -0.02 0.00 4.76 -0.78 -2.07 118.16 115.70 3gyn n LYS 90 Ca 0.14 0.41 0.13 0.00 -2.87 0.00 0.00 58.31 56.12 3gyn n LYS 90 Cb 0.18 -1.84 0.51 0.00 -1.84 0.00 0.00 35.03 32.03 3gyn n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3gyn n LEU 91 N -2.18 1.50 -4.68 -0.35 4.77 -0.84 -4.86 117.00 110.36 3gyn n LEU 91 Ca 0.02 -0.53 -0.41 0.00 -0.03 0.00 0.00 56.01 55.07 3gyn n LEU 91 Cb 0.23 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 3gyn n LEU 91 CO 0.19 0.26 0.53 -0.89 -1.33 0.00 0.00 177.39 176.16 3gyn s THR 92 N -1.96 4.94 0.40 -5.08 2.01 -0.88 -0.06 115.64 115.02 3gyn s THR 92 Ca 0.37 1.55 -0.27 0.00 0.31 0.00 0.00 61.69 63.66 3gyn s THR 92 Cb 0.20 -4.10 -0.10 0.00 0.01 0.00 0.00 72.50 68.51 3gyn s THR 92 CO 0.32 0.10 1.43 -2.65 -0.69 0.00 0.00 174.62 173.13 3gyn n PRO 93 N 4.78 2.40 0.30 4.92 -0.02 -1.26 -4.77 135.00 141.34 3gyn n PRO 93 Ca 0.02 0.85 0.18 0.00 -2.02 0.00 0.00 63.50 62.53 3gyn n PRO 93 Cb 0.50 -2.60 0.93 0.00 -0.02 0.00 0.00 33.50 32.31 3gyn n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gyn h PRO 94 N 2.59 0.00 -0.02 0.52 0.11 -1.96 -2.09 132.00 131.15 3gyn h PRO 94 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gyn h PRO 94 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3gyn h PRO 94 CO 0.62 0.03 -0.22 -2.39 -0.21 0.00 0.00 178.00 175.84 3gyn n HIS 95 N -3.28 0.00 -1.50 0.65 1.44 -1.26 -4.14 115.22 107.13 3gyn n HIS 95 Ca -0.02 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.31 3gyn n HIS 95 Cb 0.18 -0.01 0.04 0.00 0.12 0.00 0.00 29.99 30.32 3gyn n HIS 95 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3gyn n SER 96 N 0.48 -0.59 -4.71 4.39 2.88 -0.79 -4.85 113.62 110.43 3gyn n SER 96 Ca 0.12 0.77 -0.43 0.00 -1.33 0.00 0.00 58.87 58.01 3gyn n SER 96 Cb 0.50 -1.22 -0.03 0.00 -0.75 0.00 0.00 64.21 62.71 3gyn n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gyn n ALA 97 N -1.60 2.28 -1.28 -1.46 0.00 -1.26 -4.24 120.51 112.95 3gyn n ALA 97 Ca 0.12 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.63 3gyn n ALA 97 Cb 0.47 -2.44 0.09 0.00 0.00 0.00 0.00 19.45 17.56 3gyn n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3gyn s LYS 98 N 0.38 2.18 0.64 0.00 -2.85 -1.26 -4.61 119.74 114.22 3gyn s LYS 98 Ca 0.71 1.51 -0.15 0.00 -1.00 0.00 0.00 55.97 57.05 3gyn s LYS 98 Cb -0.55 -1.86 -0.01 0.00 -2.06 0.00 0.00 37.83 33.34 3gyn s LYS 98 CO 0.41 -1.75 1.08 0.45 0.10 0.00 0.00 175.35 175.63 3gyn s SER 99 N -2.53 5.42 0.00 0.03 0.15 -0.06 -4.66 113.70 112.05 3gyn s SER 99 Ca 0.69 1.85 0.25 0.00 0.70 0.00 0.00 55.95 59.43 3gyn s SER 99 Cb -0.23 -2.53 1.13 0.00 -1.71 0.00 0.00 66.02 62.67 3gyn s SER 99 CO 0.48 -1.41 1.80 0.29 1.20 0.00 0.00 173.24 175.60 3gyn n LYS 100 N -2.39 0.14 -1.27 5.44 5.02 -1.26 -4.01 118.16 119.83 3gyn n LYS 100 Ca 0.09 0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 56.28 3gyn n LYS 100 Cb 0.53 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 34.16 3gyn n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3gyn n PHE 101 N -1.42 2.08 -1.03 2.13 3.72 -1.26 -4.95 117.46 116.74 3gyn n PHE 101 Ca 0.08 -2.08 0.00 0.00 -0.05 0.00 0.00 57.45 55.40 3gyn n PHE 101 Cb 0.25 -0.68 0.00 0.00 -0.94 0.00 0.00 39.48 38.12 3gyn n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gyn n GLY 102 N -0.98 0.68 3.31 1.37 0.00 -1.26 -5.03 105.19 103.28 3gyn n GLY 102 Ca 0.44 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 3gyn n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gyn s TYR 103 N -2.00 -0.18 0.28 1.61 -0.85 -1.26 -4.99 117.35 109.95 3gyn s TYR 103 Ca 0.00 -0.07 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 3gyn s TYR 103 Cb 0.00 0.22 -0.00 0.00 0.38 0.00 0.00 41.96 42.56 3gyn s TYR 103 CO 0.00 -0.65 0.00 0.41 -1.52 0.00 0.00 175.55 173.79 3gyn n GLY 104 N -0.02 3.84 0.30 5.49 0.00 -1.26 -0.88 105.19 112.65 3gyn n GLY 104 Ca -0.17 -2.29 0.04 0.00 0.00 0.00 0.00 46.02 43.61 3gyn n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyn h ALA 105 N 1.16 1.71 -0.00 4.61 0.00 -1.82 -2.14 119.26 122.77 3gyn h ALA 105 Ca -0.23 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 3gyn h ALA 105 Cb 0.71 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3gyn h ALA 105 CO 0.38 0.26 -0.78 0.87 0.00 0.00 0.00 179.25 179.98 3gyn h LYS 106 N 0.48 0.02 -0.37 0.00 1.57 -1.88 -1.24 116.57 115.15 3gyn h LYS 106 Ca 0.13 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 3gyn h LYS 106 Cb -0.02 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3gyn h LYS 106 CO -0.02 0.79 -0.20 -0.44 -0.57 0.00 0.00 179.45 179.01 3gyn h ASP 107 N 0.01 0.72 0.25 0.86 3.32 -1.83 -1.93 116.42 117.82 3gyn h ASP 107 Ca -0.01 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 3gyn h ASP 107 Cb 1.38 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3gyn h ASP 107 CO 0.10 0.91 -0.12 0.58 -1.72 0.00 0.00 179.24 178.99 3gyn h VAL 108 N 0.63 0.80 0.12 -1.35 2.07 -1.23 0.10 116.25 117.40 3gyn h VAL 108 Ca 0.09 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3gyn h VAL 108 Cb 0.68 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3gyn h VAL 108 CO 0.05 0.07 -0.06 0.03 0.02 0.00 0.00 177.57 177.68 3gyn h ARG 109 N -0.49 -0.16 -0.20 1.57 3.08 -1.14 -1.37 114.38 115.68 3gyn h ARG 109 Ca -0.03 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3gyn h ARG 109 Cb 0.37 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3gyn h ARG 109 CO 0.06 -0.06 0.00 0.27 -1.07 0.00 0.00 179.97 179.17 3gyn n ASN 110 N -5.14 0.46 -3.31 7.04 2.04 -0.73 -4.73 115.26 110.89 3gyn n ASN 110 Ca -0.08 -2.01 -0.22 0.00 -0.44 0.00 0.00 54.58 51.83 3gyn n ASN 110 Cb 0.11 -0.11 0.07 0.00 -2.53 0.00 0.00 39.78 37.32 3gyn n ASN 110 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3gyn n LEU 111 N -0.28 -3.25 -4.75 -4.53 4.77 -0.52 -4.96 117.00 103.48 3gyn n LEU 111 Ca 0.02 -0.48 -0.39 0.00 -0.03 0.00 0.00 56.01 55.13 3gyn n LEU 111 Cb 0.09 -2.83 0.04 0.00 -2.33 0.00 0.00 43.42 38.39 3gyn n LEU 111 CO 0.01 0.58 1.00 -0.94 -1.33 0.00 0.00 177.39 176.71 3gyn s SER 112 N -3.26 5.40 0.33 -1.43 1.04 0.30 -4.80 113.70 111.29 3gyn s SER 112 Ca 0.52 2.78 0.03 0.00 0.48 0.00 0.00 55.95 59.77 3gyn s SER 112 Cb -0.23 -2.64 0.57 0.00 0.10 0.00 0.00 66.02 63.82 3gyn s SER 112 CO 0.65 -1.48 1.86 0.77 0.98 0.00 0.00 173.24 176.02 3gyn h SER 113 N 1.64 0.53 -0.42 7.02 4.64 -1.93 -1.79 113.55 123.25 3gyn h SER 113 Ca -0.51 -0.10 0.07 0.00 -0.47 0.00 0.00 61.79 60.78 3gyn h SER 113 Cb 1.29 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 3gyn h SER 113 CO 0.58 0.59 0.08 0.50 -0.87 0.00 0.00 176.83 177.72 3gyn h LYS 114 N 0.55 0.21 0.33 4.77 3.64 -1.95 0.39 116.57 124.50 3gyn h LYS 114 Ca 0.12 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3gyn h LYS 114 Cb 0.33 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3gyn h LYS 114 CO 0.01 0.14 -0.16 0.00 -2.27 0.00 0.00 179.45 177.17 3gyn h ALA 115 N 1.32 -0.44 -0.81 5.00 0.00 -1.71 -2.88 119.26 119.75 3gyn h ALA 115 Ca 0.20 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3gyn h ALA 115 Cb 0.25 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 3gyn h ALA 115 CO -0.27 -0.65 0.43 0.28 0.00 0.00 0.00 179.25 179.05 3gyn h VAL 116 N -0.64 0.84 -0.52 0.00 2.07 -1.20 -1.69 116.25 115.10 3gyn h VAL 116 Ca -0.05 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 3gyn h VAL 116 Cb 0.46 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3gyn h VAL 116 CO 0.07 0.13 -0.06 0.78 0.02 0.00 0.00 177.57 178.51 3gyn h ASN 117 N 0.69 0.96 -0.20 0.57 -0.26 -0.93 -1.72 115.58 114.69 3gyn h ASN 117 Ca 0.41 -0.34 -0.04 0.00 -0.56 0.00 0.00 56.30 55.77 3gyn h ASN 117 Cb 0.46 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 3gyn h ASN 117 CO -0.29 1.07 -0.03 -0.74 -1.06 0.00 0.00 177.43 176.38 3gyn h HIS 118 N 0.84 0.41 -0.67 1.19 2.76 -1.26 -2.34 115.15 116.08 3gyn h HIS 118 Ca 0.14 -0.08 0.13 0.00 -2.20 0.00 0.00 60.37 58.35 3gyn h HIS 118 Cb 0.61 -0.10 -0.09 0.00 1.55 0.00 0.00 27.41 29.38 3gyn h HIS 118 CO 0.04 0.60 0.21 0.82 -1.30 0.00 0.00 177.93 178.30 3gyn h ILE 119 N 0.10 0.65 -0.89 6.26 2.04 -1.26 0.14 117.51 124.54 3gyn h ILE 119 Ca 0.05 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.83 3gyn h ILE 119 Cb 0.46 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3gyn h ILE 119 CO 0.02 0.06 0.58 0.45 0.00 0.00 0.00 178.15 179.25 3gyn h HIS 120 N 0.34 1.08 -0.28 1.37 3.86 -1.21 -0.59 115.15 119.71 3gyn h HIS 120 Ca 0.36 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.47 3gyn h HIS 120 Cb 0.54 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 3gyn h HIS 120 CO -0.21 0.61 -0.34 0.66 0.86 0.00 0.00 177.93 179.51 3gyn h SER 121 N 1.11 0.64 -0.39 2.45 4.64 -0.57 -1.84 113.55 119.59 3gyn h SER 121 Ca 0.36 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 3gyn h SER 121 Cb 0.03 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 3gyn h SER 121 CO -0.13 0.93 0.18 0.58 -0.87 0.00 0.00 176.83 177.53 3gyn h VAL 122 N 0.52 1.18 -0.44 0.95 2.07 -0.21 -1.36 116.25 118.96 3gyn h VAL 122 Ca 0.06 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3gyn h VAL 122 Cb 0.83 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3gyn h VAL 122 CO 0.07 0.19 0.27 -0.25 0.02 0.00 0.00 177.57 177.87 3gyn h TRP 123 N 0.49 0.58 -0.74 1.57 2.91 -1.02 -1.68 115.95 118.07 3gyn h TRP 123 Ca 0.13 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.12 3gyn h TRP 123 Cb 0.13 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.56 3gyn h TRP 123 CO -0.01 0.40 0.33 -0.22 -1.03 0.00 0.00 178.44 177.91 3gyn h LYS 124 N 0.59 1.08 -0.74 2.65 3.64 -1.22 -1.65 116.57 120.92 3gyn h LYS 124 Ca 0.16 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3gyn h LYS 124 Cb -0.02 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 3gyn h LYS 124 CO -0.03 0.86 0.42 0.22 -2.27 0.00 0.00 179.45 178.65 3gyn h ASP 125 N 1.05 0.91 -0.37 4.20 3.58 -1.02 -1.86 116.42 122.90 3gyn h ASP 125 Ca 0.25 -0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.64 3gyn h ASP 125 Cb 0.15 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 3gyn h ASP 125 CO -0.03 0.73 0.18 -0.07 -2.88 0.00 0.00 179.24 177.17 3gyn h LEU 126 N 1.01 0.26 -1.45 2.28 3.38 -0.88 0.30 115.31 120.20 3gyn h LEU 126 Ca 0.26 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 3gyn h LEU 126 Cb 0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3gyn h LEU 126 CO -0.04 0.19 0.13 -0.07 0.09 0.00 0.00 178.44 178.74 3gyn h LEU 127 N 0.37 0.45 0.00 1.67 3.38 -1.08 -3.19 115.31 116.91 3gyn h LEU 127 Ca 0.16 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3gyn h LEU 127 Cb 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3gyn h LEU 127 CO -0.11 0.42 -1.47 -0.62 0.09 0.00 0.00 178.44 176.75 3gyn n GLU 128 N -4.39 0.63 -4.23 1.13 1.02 -0.72 -4.85 120.64 109.23 3gyn n GLU 128 Ca 0.02 0.12 -0.28 0.00 -0.02 0.00 0.00 57.16 57.00 3gyn n GLU 128 Cb 0.14 -1.75 -0.17 0.00 -0.02 0.00 0.00 31.44 29.65 3gyn n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gyn s ASP 129 N -5.46 2.31 -0.13 1.62 -1.08 0.99 -5.02 116.67 109.90 3gyn s ASP 129 Ca -0.04 -0.38 0.19 0.00 -0.52 0.00 0.00 52.55 51.80 3gyn s ASP 129 Cb 0.09 -1.00 0.29 0.00 -1.46 0.00 0.00 42.92 40.85 3gyn s ASP 129 CO 0.82 -0.03 1.15 0.35 0.52 0.00 0.00 175.17 177.98 3gyn n THR 130 N 4.46 1.90 0.00 1.71 -2.24 -1.26 -4.51 114.28 114.34 3gyn n THR 130 Ca -0.17 -2.29 0.00 0.00 -2.27 0.00 0.00 64.05 59.31 3gyn n THR 130 Cb 0.51 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3gyn n THR 130 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3gyn n VAL 131 N -1.43 0.00 -2.15 2.28 0.24 -1.26 -4.63 118.33 111.37 3gyn n VAL 131 Ca 0.16 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.03 3gyn n VAL 131 Cb 0.64 -0.31 -0.02 0.00 -1.47 0.00 0.00 33.84 32.67 3gyn n VAL 131 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3gyn s THR 132 N -1.36 3.73 0.21 3.34 2.01 -1.26 -4.74 115.64 117.57 3gyn s THR 132 Ca 0.00 0.80 -0.31 0.00 0.31 0.00 0.00 61.69 62.49 3gyn s THR 132 Cb 0.00 -3.81 -0.15 0.00 0.01 0.00 0.00 72.50 68.55 3gyn s THR 132 CO 0.00 -0.39 1.08 -2.65 -0.69 0.00 0.00 174.62 171.97 3gyn n PRO 133 N 7.82 1.16 -3.47 4.92 -0.02 -1.26 -4.73 135.00 139.42 3gyn n PRO 133 Ca 0.19 0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 3gyn n PRO 133 Cb 0.46 -1.84 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 3gyn n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gyn s ILE 134 N -0.51 5.16 0.44 4.25 1.01 0.21 -4.99 121.20 126.77 3gyn s ILE 134 Ca 0.68 0.78 -0.26 0.00 0.00 0.00 0.00 60.65 61.85 3gyn s ILE 134 Cb -0.81 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 37.87 3gyn s ILE 134 CO 0.55 0.46 1.39 -0.62 0.00 0.00 0.00 174.94 176.72 3gyn s ASP 135 N -0.19 6.02 0.09 3.58 2.15 -1.26 -4.51 116.67 122.54 3gyn s ASP 135 Ca 0.22 2.85 0.06 0.00 0.43 0.00 0.00 52.55 56.11 3gyn s ASP 135 Cb -0.15 -2.65 -0.03 0.00 -0.30 0.00 0.00 42.92 39.79 3gyn s ASP 135 CO 0.10 -1.07 -0.15 0.42 -0.17 0.00 0.00 175.17 174.30 3gyn s THR 136 N -1.22 1.24 -0.05 1.71 -4.23 -1.21 -4.30 115.64 107.59 3gyn s THR 136 Ca 0.60 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.53 3gyn s THR 136 Cb -0.42 -1.26 -0.05 0.00 1.34 0.00 0.00 72.50 72.10 3gyn s THR 136 CO 0.54 -0.27 0.31 -0.89 -0.54 0.00 0.00 174.62 173.78 3gyn s THR 137 N -1.53 5.21 -0.18 3.99 2.01 0.21 -1.49 115.64 123.86 3gyn s THR 137 Ca 0.02 0.62 -0.03 0.00 0.31 0.00 0.00 61.69 62.61 3gyn s THR 137 Cb -0.08 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 3gyn s THR 137 CO 0.03 0.57 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.97 3gyn s ILE 138 N -0.91 3.51 0.20 1.82 2.07 0.03 -1.60 121.20 126.32 3gyn s ILE 138 Ca 0.20 -0.47 0.07 0.00 -1.41 0.00 0.00 60.65 59.04 3gyn s ILE 138 Cb -0.15 -2.56 -0.05 0.00 0.13 0.00 0.00 42.46 39.84 3gyn s ILE 138 CO 0.10 0.46 -0.11 -0.04 -1.91 0.00 0.00 174.94 173.43 3gyn s MET 139 N 0.90 1.29 -0.12 3.50 -1.94 -0.12 -4.47 119.30 118.34 3gyn s MET 139 Ca -0.01 -1.58 -0.15 0.00 -1.71 0.00 0.00 55.69 52.24 3gyn s MET 139 Cb -0.15 -0.97 -0.05 0.00 2.01 0.00 0.00 34.83 35.68 3gyn s MET 139 CO 0.01 0.12 0.35 0.00 -0.01 0.00 0.00 175.02 175.49 3gyn s ALA 140 N -3.10 3.60 0.30 3.03 0.00 -1.26 -0.95 121.76 123.38 3gyn s ALA 140 Ca 0.22 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.53 3gyn s ALA 140 Cb 0.01 -2.42 -0.10 0.00 0.00 0.00 0.00 23.12 20.61 3gyn s ALA 140 CO 0.06 0.17 1.18 0.15 0.00 0.00 0.00 175.76 177.33 3gyn s LYS 141 N 0.13 4.53 -0.59 0.00 1.02 0.03 -4.70 119.74 120.15 3gyn s LYS 141 Ca 0.20 1.97 -0.17 0.00 0.02 0.00 0.00 55.97 57.99 3gyn s LYS 141 Cb -0.14 -3.14 0.13 0.00 -0.52 0.00 0.00 37.83 34.16 3gyn s LYS 141 CO 0.07 0.05 0.59 -0.80 -0.92 0.00 0.00 175.35 174.35 3gyn s ASN 142 N -0.71 6.26 0.12 2.83 0.02 -1.26 -4.31 114.94 117.89 3gyn s ASN 142 Ca 0.46 -1.79 0.10 0.00 -1.02 0.00 0.00 52.86 50.61 3gyn s ASN 142 Cb -0.35 -2.24 -0.04 0.00 0.02 0.00 0.00 41.25 38.64 3gyn s ASN 142 CO 0.46 -0.90 -0.25 -1.61 0.02 0.00 0.00 177.10 174.81 3gyn s GLU 143 N 1.76 1.52 -0.15 -0.60 2.02 -1.25 -4.86 118.70 117.14 3gyn s GLU 143 Ca 0.07 -1.29 -0.06 0.00 0.02 0.00 0.00 54.97 53.71 3gyn s GLU 143 Cb -0.26 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 3gyn s GLU 143 CO 0.02 0.46 0.07 0.08 0.02 0.00 0.00 175.26 175.92 3gyn s VAL 144 N -1.05 4.89 0.18 2.63 1.01 -1.26 -0.77 120.40 126.03 3gyn s VAL 144 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 3gyn s VAL 144 Cb -0.10 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3gyn s VAL 144 CO 0.06 0.53 0.15 -0.36 0.00 0.00 0.00 175.10 175.48 3gyn s PHE 145 N -0.21 0.98 -0.14 5.22 0.08 0.03 -4.73 117.98 119.22 3gyn s PHE 145 Ca 0.08 -1.26 -0.09 0.00 0.12 0.00 0.00 56.93 55.79 3gyn s PHE 145 Cb -0.12 -0.45 -0.04 0.00 -0.57 0.00 0.00 43.02 41.83 3gyn s PHE 145 CO 0.01 -0.64 0.16 0.00 -0.10 0.00 0.00 175.22 174.65 3gyn n VAL 147 N 2.45 2.99 0.00 0.00 0.24 0.51 -4.99 118.33 119.52 3gyn n VAL 147 Ca -0.18 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3gyn n VAL 147 Cb 0.54 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 3gyn n VAL 147 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3gyn n GLN 148 N -0.39 0.31 -4.22 7.34 7.27 -1.26 -5.06 117.38 121.36 3gyn n GLN 148 Ca 0.11 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.83 3gyn n GLN 148 Cb 0.43 -0.60 -0.10 0.00 2.41 0.00 0.00 30.24 32.39 3gyn n GLN 148 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3gyn s ARG 154 N -1.20 3.41 0.06 3.69 0.52 -1.26 -5.28 118.95 118.90 3gyn s ARG 154 Ca 0.00 -0.37 -0.29 0.00 -0.52 0.00 0.00 55.73 54.55 3gyn s ARG 154 Cb 0.00 -2.97 -0.05 0.00 0.52 0.00 0.00 34.95 32.45 3gyn s ARG 154 CO 0.00 0.53 0.93 0.15 0.02 0.00 0.00 175.30 176.92 3gyn s LYS 155 N -0.37 4.62 0.71 3.54 1.02 -1.26 -5.06 119.74 122.94 3gyn s LYS 155 Ca 0.08 1.37 -0.14 0.00 0.02 0.00 0.00 55.97 57.29 3gyn s LYS 155 Cb -0.12 -3.40 0.03 0.00 -0.52 0.00 0.00 37.83 33.81 3gyn s LYS 155 CO 0.02 0.14 1.14 -2.14 -0.92 0.00 0.00 175.35 173.59 3gyn s PRO 156 N 0.33 2.40 0.27 -1.68 0.02 -1.26 -4.81 135.00 130.26 3gyn s PRO 156 Ca 0.47 1.51 -0.31 0.00 0.02 0.00 0.00 61.00 62.69 3gyn s PRO 156 Cb -0.22 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.29 3gyn s PRO 156 CO 0.28 -1.59 1.54 0.00 -0.33 0.00 0.00 177.00 176.90 3gyn n ALA 157 N -2.75 2.06 -1.68 -1.55 0.00 -1.26 -4.96 120.51 110.37 3gyn n ALA 157 Ca 0.11 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.61 3gyn n ALA 157 Cb 0.51 -2.40 0.01 0.00 0.00 0.00 0.00 19.45 17.57 3gyn n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gyn s ARG 158 N -0.34 3.31 -0.12 0.00 0.52 -1.26 -4.67 118.95 116.38 3gyn s ARG 158 Ca 0.66 1.34 -0.07 0.00 -0.52 0.00 0.00 55.73 57.15 3gyn s ARG 158 Cb -0.55 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 3gyn s ARG 158 CO 0.48 -0.83 0.12 -0.51 0.02 0.00 0.00 175.30 174.57 3gyn s LEU 159 N -4.25 4.26 -0.11 2.53 1.43 -1.26 -0.79 118.68 120.49 3gyn s LEU 159 Ca 0.67 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 3gyn s LEU 159 Cb -0.18 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3gyn s LEU 159 CO 0.33 0.39 -0.23 -0.51 0.23 0.00 0.00 176.35 176.56 3gyn s ILE 160 N -0.90 2.15 -0.13 -0.59 1.10 -0.13 -4.81 121.20 117.89 3gyn s ILE 160 Ca 0.14 -0.98 0.03 0.00 -0.51 0.00 0.00 60.65 59.33 3gyn s ILE 160 Cb -0.12 -1.83 0.01 0.00 0.15 0.00 0.00 42.46 40.66 3gyn s ILE 160 CO 0.03 0.55 -0.22 -0.69 -2.11 0.00 0.00 174.94 172.50 3gyn s VAL 161 N 0.44 2.03 -0.13 4.00 1.01 -1.26 -0.94 120.40 125.55 3gyn s VAL 161 Ca -0.16 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.70 3gyn s VAL 161 Cb -0.17 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.46 3gyn s VAL 161 CO 0.07 0.55 0.40 0.72 0.00 0.00 0.00 175.10 176.83 3gyn s PHE 162 N 0.68 -0.42 0.84 5.22 -0.71 -0.63 -0.38 117.98 122.58 3gyn s PHE 162 Ca -0.11 0.99 -0.12 0.00 -1.04 0.00 0.00 56.93 56.66 3gyn s PHE 162 Cb -0.16 0.15 0.12 0.00 -1.21 0.00 0.00 43.02 41.92 3gyn s PHE 162 CO 0.01 -0.24 1.19 -1.25 -1.34 0.00 0.00 175.22 173.60 3gyn s PRO 163 N 0.01 1.56 0.83 1.99 0.04 -1.26 -0.62 135.00 137.54 3gyn s PRO 163 Ca -0.02 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 60.74 3gyn s PRO 163 Cb -0.03 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.64 3gyn s PRO 163 CO 0.01 -1.80 1.17 0.34 0.04 0.00 0.00 177.00 176.75 3gyn s ASP 164 N -4.68 3.59 0.31 6.66 2.15 -1.26 -4.73 116.67 118.72 3gyn s ASP 164 Ca 0.66 2.22 0.05 0.00 0.43 0.00 0.00 52.55 55.91 3gyn s ASP 164 Cb -0.08 -2.57 0.67 0.00 -0.30 0.00 0.00 42.92 40.64 3gyn s ASP 164 CO 0.49 -2.66 1.84 0.25 -0.17 0.00 0.00 175.17 174.93 3gyn h LEU 165 N -1.16 0.81 -0.45 -1.34 5.85 -1.83 -1.75 115.31 115.44 3gyn h LEU 165 Ca -0.45 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.36 3gyn h LEU 165 Cb 1.28 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3gyn h LEU 165 CO 0.46 0.41 0.23 1.23 -0.34 0.00 0.00 178.44 180.43 3gyn h GLY 166 N 0.86 0.63 1.00 3.75 0.00 -1.95 -2.12 103.07 105.23 3gyn h GLY 166 Ca 0.49 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 3gyn h GLY 166 CO -0.26 0.11 0.25 -2.08 0.00 0.00 0.00 176.54 174.56 3gyn h VAL 167 N 0.46 1.23 -0.85 4.60 2.07 -1.70 -2.57 116.25 119.49 3gyn h VAL 167 Ca 0.20 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 67.03 3gyn h VAL 167 Cb 0.10 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3gyn h VAL 167 CO -0.13 0.28 0.55 0.03 0.02 0.00 0.00 177.57 178.32 3gyn h ARG 168 N 0.84 1.07 -0.64 1.57 3.08 -1.07 0.33 114.38 119.56 3gyn h ARG 168 Ca 0.20 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3gyn h ARG 168 Cb 0.20 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3gyn h ARG 168 CO -0.02 0.71 0.32 0.28 -1.07 0.00 0.00 179.97 180.19 3gyn h VAL 169 N 1.10 1.21 -0.27 2.04 2.07 -1.28 -2.66 116.25 118.47 3gyn h VAL 169 Ca 0.33 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3gyn h VAL 169 Cb -0.05 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3gyn h VAL 169 CO -0.10 0.24 0.08 0.00 0.02 0.00 0.00 177.57 177.81 3gyn h GLU 171 N 0.38 0.17 -0.40 0.00 5.08 -0.64 -1.79 114.58 117.39 3gyn h GLU 171 Ca 0.09 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3gyn h GLU 171 Cb 0.13 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3gyn h GLU 171 CO -0.01 0.19 0.17 0.87 -1.00 0.00 0.00 179.01 179.23 3gyn h LYS 172 N 0.11 0.33 -0.41 2.33 1.57 -1.15 0.16 116.57 119.51 3gyn h LYS 172 Ca 0.04 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 3gyn h LYS 172 Cb 0.07 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.23 3gyn h LYS 172 CO -0.01 0.22 -0.05 0.52 -0.57 0.00 0.00 179.45 179.57 3gyn h MET 173 N 0.34 0.05 0.03 3.15 2.86 -1.05 -1.43 114.93 118.89 3gyn h MET 173 Ca 0.18 -0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.59 3gyn h MET 173 Cb 0.14 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3gyn h MET 173 CO -0.16 0.03 -1.06 0.00 1.06 0.00 0.00 176.91 176.79 3gyn h ALA 174 N 1.39 0.29 0.00 6.32 0.00 -1.06 -0.45 119.26 125.75 3gyn h ALA 174 Ca 0.20 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3gyn h ALA 174 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gyn h ALA 174 CO -0.38 1.17 0.00 1.28 0.00 0.00 0.00 179.25 181.31 3gyn n LEU 175 N -3.41 0.01 -0.09 0.00 4.77 0.54 -4.79 117.00 114.04 3gyn n LEU 175 Ca -0.02 -0.17 -0.07 0.00 -0.03 0.00 0.00 56.01 55.72 3gyn n LEU 175 Cb 0.96 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.05 3gyn n LEU 175 CO 0.49 0.00 0.93 0.22 -1.33 0.00 0.00 177.39 177.70 3gyn h TYR 176 N 0.00 0.20 -0.72 -1.77 3.20 -1.34 -0.06 116.97 116.48 3gyn h TYR 176 Ca 0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3gyn h TYR 176 Cb 0.02 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 3gyn h TYR 176 CO 0.00 0.08 0.22 0.22 -1.64 0.00 0.00 178.16 177.05 3gyn h ASP 177 N 0.25 1.03 0.26 -2.11 3.58 -1.79 -1.38 116.42 116.26 3gyn h ASP 177 Ca 0.15 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 3gyn h ASP 177 Cb 0.12 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.91 3gyn h ASP 177 CO -0.16 0.96 -0.12 0.58 -2.88 0.00 0.00 179.24 177.62 3gyn h VAL 178 N 1.06 0.78 0.00 2.25 2.07 -1.71 -1.94 116.25 118.76 3gyn h VAL 178 Ca 0.23 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3gyn h VAL 178 Cb 0.30 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3gyn h VAL 178 CO -0.01 0.06 0.00 -0.37 0.02 0.00 0.00 177.57 177.27 3gyn h VAL 179 N -0.48 0.00 0.08 2.57 -1.51 -0.95 0.40 116.25 116.36 3gyn h VAL 179 Ca -0.04 -0.55 -0.25 0.00 -1.23 0.00 0.00 66.70 64.63 3gyn h VAL 179 Cb 0.36 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 3gyn h VAL 179 CO 0.06 0.00 -1.17 0.28 -1.23 0.00 0.00 177.57 175.51 3gyn h SER 180 N 0.00 0.28 0.00 4.19 0.02 -1.17 -3.42 113.55 113.44 3gyn h SER 180 Ca 0.00 -0.30 -0.12 0.00 -0.84 0.00 0.00 61.79 60.53 3gyn h SER 180 Cb 0.55 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3gyn h SER 180 CO 0.00 1.23 -1.45 0.35 -1.14 0.00 0.00 176.83 175.82 3gyn n THR 181 N -3.46 0.45 -0.12 -2.27 -2.24 -0.74 -4.62 114.28 101.28 3gyn n THR 181 Ca -0.06 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.37 3gyn n THR 181 Cb 1.00 -0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 3gyn n THR 181 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3gyn h LEU 182 N 0.00 0.51 -0.85 3.22 6.46 -1.13 -3.21 115.31 120.30 3gyn h LEU 182 Ca -0.18 -0.18 0.09 0.00 -0.12 0.00 0.00 57.88 57.49 3gyn h LEU 182 Cb 1.38 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 41.11 3gyn h LEU 182 CO 0.00 0.54 0.51 -0.65 -0.62 0.00 0.00 178.44 178.23 3gyn h PRO 183 N 0.44 0.85 -0.31 5.25 0.11 -1.81 -0.70 132.00 135.82 3gyn h PRO 183 Ca 0.12 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.05 3gyn h PRO 183 Cb 0.20 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 3gyn h PRO 183 CO -0.01 0.56 -0.35 0.37 -0.21 0.00 0.00 178.00 178.36 3gyn h GLN 184 N 0.87 0.70 -0.51 1.05 -0.00 -1.87 -0.25 115.11 115.11 3gyn h GLN 184 Ca 0.40 -0.34 -0.04 0.00 -0.00 0.00 0.00 58.65 58.68 3gyn h GLN 184 Cb 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 3gyn h GLN 184 CO -0.22 0.95 0.17 0.28 0.00 0.00 0.00 178.83 180.00 3gyn h VAL 185 N 0.59 1.23 -0.13 2.39 2.07 -1.34 0.31 116.25 121.36 3gyn h VAL 185 Ca 0.06 -0.74 -0.23 0.00 0.82 0.00 0.00 66.70 66.61 3gyn h VAL 185 Cb 0.87 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3gyn h VAL 185 CO 0.08 0.27 -0.82 0.58 0.02 0.00 0.00 177.57 177.70 3gyn h VAL 186 N 0.69 1.28 -0.00 2.57 2.07 -1.07 -3.37 116.25 118.41 3gyn h VAL 186 Ca 0.17 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.66 3gyn h VAL 186 Cb 0.25 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3gyn h VAL 186 CO -0.01 0.64 -0.37 0.23 0.02 0.00 0.00 177.57 178.08 3gyn n MET 187 N -3.92 3.97 0.00 1.57 2.81 -0.11 -4.88 117.12 116.57 3gyn n MET 187 Ca -0.08 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 3gyn n MET 187 Cb 0.77 -0.91 0.00 0.00 -0.71 0.00 0.00 33.22 32.36 3gyn n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gyn n GLY 188 N 1.15 3.05 0.24 3.03 0.00 0.11 -2.20 105.19 110.58 3gyn n GLY 188 Ca 0.02 -0.26 0.16 0.00 0.00 0.00 0.00 46.02 45.94 3gyn n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gyn h SER 189 N 5.85 0.00 0.87 1.61 4.64 -1.96 -1.45 113.55 123.10 3gyn h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gyn h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gyn h SER 189 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 3gyn n SER 190 N -2.65 0.60 -4.59 4.97 7.64 -0.93 -4.70 113.62 113.95 3gyn n SER 190 Ca -0.01 0.62 -0.42 0.00 1.01 0.00 0.00 58.87 60.06 3gyn n SER 190 Cb 0.10 -0.76 -0.02 0.00 -1.01 0.00 0.00 64.21 62.52 3gyn n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3gyn s TYR 191 N -3.22 2.43 0.31 1.43 5.04 -0.55 -0.99 117.35 121.80 3gyn s TYR 191 Ca 0.06 0.60 0.08 0.00 -2.44 0.00 0.00 57.07 55.38 3gyn s TYR 191 Cb 0.10 -4.37 0.51 0.00 0.35 0.00 0.00 41.96 38.55 3gyn s TYR 191 CO 0.43 -1.85 1.72 0.78 -1.34 0.00 0.00 175.55 175.29 3gyn h GLY 192 N 12.35 0.17 1.64 8.97 0.00 -1.24 -3.14 103.07 121.83 3gyn h GLY 192 Ca -0.26 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3gyn h GLY 192 CO 1.13 0.15 0.00 0.69 0.00 0.00 0.00 176.54 178.51 3gyn n PHE 193 N -4.02 0.00 0.58 5.60 3.72 -1.26 -2.46 117.46 119.61 3gyn n PHE 193 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 3gyn n PHE 193 Cb 0.47 -0.32 0.45 0.00 -0.94 0.00 0.00 39.48 39.14 3gyn n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gyn n GLN 194 N -1.32 0.20 -3.94 -1.08 10.64 -1.19 -3.70 117.38 117.00 3gyn n GLN 194 Ca 0.10 0.27 -0.36 0.00 -1.83 0.00 0.00 57.00 55.18 3gyn n GLN 194 Cb 0.19 -1.79 -0.07 0.00 -0.86 0.00 0.00 30.24 27.71 3gyn n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3gyn s TYR 195 N -3.16 3.44 0.98 2.61 2.02 -1.03 -4.65 117.35 117.57 3gyn s TYR 195 Ca 0.09 0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 57.04 3gyn s TYR 195 Cb 0.12 -1.99 0.18 0.00 -0.40 0.00 0.00 41.96 39.87 3gyn s TYR 195 CO 0.51 0.52 1.09 -1.54 -1.57 0.00 0.00 175.55 174.55 3gyn s SER 196 N -0.50 2.53 0.31 2.29 1.04 -1.26 -4.75 113.70 113.34 3gyn s SER 196 Ca 0.11 1.76 0.06 0.00 0.48 0.00 0.00 55.95 58.36 3gyn s SER 196 Cb -0.12 -2.37 0.73 0.00 0.10 0.00 0.00 66.02 64.37 3gyn s SER 196 CO 0.02 -3.28 1.79 -0.65 0.98 0.00 0.00 173.24 172.10 3gyn h PRO 197 N -1.99 0.76 -0.22 4.02 0.11 -1.90 0.41 132.00 133.19 3gyn h PRO 197 Ca -0.51 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.37 3gyn h PRO 197 Cb 1.29 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3gyn h PRO 197 CO 0.48 0.50 -0.62 0.78 -0.21 0.00 0.00 178.00 178.94 3gyn h GLY 198 N 0.78 0.82 1.87 -0.55 0.00 -1.92 -1.60 103.07 102.46 3gyn h GLY 198 Ca 0.56 -1.01 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 3gyn h GLY 198 CO -0.36 0.91 -0.26 1.46 0.00 0.00 0.00 176.54 178.29 3gyn h GLN 199 N 0.55 0.16 -0.32 4.80 4.20 -1.80 -1.36 115.11 121.34 3gyn h GLN 199 Ca -0.01 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3gyn h GLN 199 Cb 1.21 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 3gyn h GLN 199 CO 0.13 0.42 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.56 3gyn h ARG 200 N 0.14 0.60 0.05 1.46 2.43 -0.63 -1.50 114.38 116.94 3gyn h ARG 200 Ca 0.02 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 58.98 3gyn h ARG 200 Cb 0.54 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3gyn h ARG 200 CO 0.04 0.77 -0.09 0.28 -1.51 0.00 0.00 179.97 179.47 3gyn h VAL 201 N 0.39 0.80 -0.41 0.20 2.07 -1.07 -0.70 116.25 117.52 3gyn h VAL 201 Ca 0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.68 3gyn h VAL 201 Cb 0.54 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 3gyn h VAL 201 CO 0.03 0.00 -0.04 -0.08 0.02 0.00 0.00 177.57 177.50 3gyn h GLU 202 N -0.17 0.06 -0.78 1.57 4.81 -1.20 0.27 114.58 119.13 3gyn h GLU 202 Ca 0.02 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3gyn h GLU 202 Cb 0.19 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3gyn h GLU 202 CO -0.05 0.04 0.30 0.35 -0.73 0.00 0.00 179.01 178.92 3gyn h PHE 203 N 0.06 1.21 -0.29 0.92 3.57 -1.11 0.14 116.94 121.44 3gyn h PHE 203 Ca 0.20 -0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 3gyn h PHE 203 Cb 0.30 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3gyn h PHE 203 CO -0.31 0.92 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.38 3gyn h LEU 204 N 1.15 0.72 -0.16 0.59 3.38 -0.33 -1.92 115.31 118.74 3gyn h LEU 204 Ca 0.26 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3gyn h LEU 204 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3gyn h LEU 204 CO -0.02 1.02 0.02 0.58 0.09 0.00 0.00 178.44 180.13 3gyn h VAL 205 N 0.43 1.23 -0.57 1.22 2.07 -0.40 -0.70 116.25 119.53 3gyn h VAL 205 Ca 0.05 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 3gyn h VAL 205 Cb 0.80 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 3gyn h VAL 205 CO 0.06 0.23 0.15 0.78 0.02 0.00 0.00 177.57 178.81 3gyn h ASN 206 N 0.05 0.80 -0.28 0.57 2.35 -1.04 -1.10 115.58 116.94 3gyn h ASN 206 Ca 0.05 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3gyn h ASN 206 Cb 0.33 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3gyn h ASN 206 CO 0.01 0.78 -0.02 0.74 -1.65 0.00 0.00 177.43 177.28 3gyn h THR 207 N 0.83 1.27 -0.72 2.81 2.02 -1.26 -1.73 112.91 116.13 3gyn h THR 207 Ca 0.18 -0.98 0.05 0.00 0.77 0.00 0.00 66.41 66.43 3gyn h THR 207 Cb 0.28 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 3gyn h THR 207 CO -0.00 0.31 0.43 -0.25 0.37 0.00 0.00 175.52 176.38 3gyn h TRP 208 N 0.28 0.80 0.00 3.16 2.91 -0.96 -2.75 115.95 119.39 3gyn h TRP 208 Ca 0.08 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.08 3gyn h TRP 208 Cb 0.46 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 3gyn h TRP 208 CO 0.04 0.42 -0.20 0.87 -1.03 0.00 0.00 178.44 178.54 3gyn h LYS 209 N 0.82 0.00 0.00 2.65 1.57 -1.12 -3.04 116.57 117.45 3gyn h LYS 209 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3gyn h LYS 209 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3gyn h LYS 209 CO -0.15 0.20 0.00 -1.13 -0.57 0.00 0.00 179.45 177.80 3gyn n SER 210 N -3.24 0.03 -4.83 0.86 3.41 -0.66 -4.74 113.62 104.46 3gyn n SER 210 Ca 0.02 0.50 -0.37 0.00 -0.26 0.00 0.00 58.87 58.76 3gyn n SER 210 Cb 0.50 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 3gyn n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gyn s LYS 211 N -3.01 3.83 0.08 4.33 -0.14 -1.15 -5.01 119.74 118.68 3gyn s LYS 211 Ca 0.11 0.18 -0.27 0.00 -1.36 0.00 0.00 55.97 54.63 3gyn s LYS 211 Cb 0.15 -3.25 -0.16 0.00 -1.68 0.00 0.00 37.83 32.89 3gyn s LYS 211 CO 0.44 0.63 1.69 0.87 -0.76 0.00 0.00 175.35 178.22 3gyn h LYS 212 N 5.17 -0.38 -2.88 1.68 1.57 -1.88 -3.36 116.57 116.49 3gyn h LYS 212 Ca -0.51 0.03 -0.61 0.00 -1.87 0.00 0.00 60.65 57.69 3gyn h LYS 212 Cb 1.21 0.09 -0.40 0.00 0.08 0.00 0.00 32.23 33.21 3gyn h LYS 212 CO 0.63 -0.25 -0.76 -0.80 -0.57 0.00 0.00 179.45 177.70 3gyn s ASN 213 N -4.84 3.42 0.40 0.86 0.01 -1.26 -5.08 114.94 108.45 3gyn s ASN 213 Ca -0.15 -2.83 -0.25 0.00 -0.71 0.00 0.00 52.86 48.91 3gyn s ASN 213 Cb 0.05 -0.98 -0.08 0.00 0.41 0.00 0.00 41.25 40.65 3gyn s ASN 213 CO 0.64 -0.23 1.22 -2.16 -1.51 0.00 0.00 177.10 175.07 3gyn s PRO 214 N 0.11 4.01 0.01 -0.60 0.04 -1.26 0.28 135.00 137.58 3gyn s PRO 214 Ca 0.21 1.97 0.01 0.00 0.04 0.00 0.00 61.00 63.23 3gyn s PRO 214 Cb -0.17 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 3gyn s PRO 214 CO -0.05 -0.40 -0.04 1.41 0.04 0.00 0.00 177.00 177.96 3gyn s MET 215 N -2.27 0.34 0.05 4.56 1.75 -0.22 -4.68 119.30 118.82 3gyn s MET 215 Ca 0.57 -0.27 -0.00 0.00 -1.25 0.00 0.00 55.69 54.74 3gyn s MET 215 Cb -0.34 -0.27 -0.04 0.00 2.84 0.00 0.00 34.83 37.03 3gyn s MET 215 CO 0.43 0.07 -0.04 0.20 -0.65 0.00 0.00 175.02 175.03 3gyn s GLY 216 N -0.42 0.49 -0.16 2.11 0.00 -0.42 -0.68 107.32 108.24 3gyn s GLY 216 Ca -0.02 -1.16 -0.19 0.00 0.00 0.00 0.00 44.72 43.36 3gyn s GLY 216 CO -0.00 -1.26 0.51 -0.11 0.00 0.00 0.00 173.10 172.24 3gyn s PHE 217 N -3.57 -0.53 0.18 1.90 -0.71 -0.54 0.21 117.98 114.92 3gyn s PHE 217 Ca 0.05 1.22 -0.16 0.00 -1.04 0.00 0.00 56.93 56.99 3gyn s PHE 217 Cb 0.05 0.20 -0.08 0.00 -1.21 0.00 0.00 43.02 41.99 3gyn s PHE 217 CO -0.08 -0.32 0.63 -1.54 -1.34 0.00 0.00 175.22 172.56 3gyn s SER 218 N -0.08 6.91 -0.22 1.98 1.04 -1.26 -0.96 113.70 121.12 3gyn s SER 218 Ca -0.03 1.22 0.02 0.00 0.48 0.00 0.00 55.95 57.64 3gyn s SER 218 Cb -0.03 -2.34 0.04 0.00 0.10 0.00 0.00 66.02 63.78 3gyn s SER 218 CO 0.02 0.06 -0.15 -0.47 0.98 0.00 0.00 173.24 173.68 3gyn s TYR 219 N -1.51 2.99 -0.42 5.02 5.04 -0.33 -4.57 117.35 123.57 3gyn s TYR 219 Ca 0.40 -1.91 -0.18 0.00 -2.44 0.00 0.00 57.07 52.95 3gyn s TYR 219 Cb -0.15 -1.93 0.02 0.00 0.35 0.00 0.00 41.96 40.24 3gyn s TYR 219 CO 0.20 -0.83 0.46 0.34 -1.34 0.00 0.00 175.55 174.38 3gyn s ASP 220 N 1.22 6.21 0.14 4.32 2.15 -1.26 -4.02 116.67 125.43 3gyn s ASP 220 Ca -0.01 -0.60 -0.30 0.00 0.43 0.00 0.00 52.55 52.07 3gyn s ASP 220 Cb -0.16 -2.23 -0.07 0.00 -0.30 0.00 0.00 42.92 40.16 3gyn s ASP 220 CO -0.09 -0.59 1.00 -0.89 -0.17 0.00 0.00 175.17 174.42 3gyn s THR 221 N 2.22 4.27 -0.10 1.71 2.01 -1.26 -0.25 115.64 124.24 3gyn s THR 221 Ca 0.13 1.94 -0.30 0.00 0.31 0.00 0.00 61.69 63.78 3gyn s THR 221 Cb -0.17 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 3gyn s THR 221 CO 0.14 0.33 1.46 -0.60 -0.69 0.00 0.00 174.62 175.25 3gyn s ARG 222 N -0.23 4.21 -1.11 4.92 3.52 -0.43 -4.05 118.95 125.79 3gyn s ARG 222 Ca 0.47 1.94 -0.23 0.00 -0.13 0.00 0.00 55.73 57.77 3gyn s ARG 222 Cb -0.25 -3.85 0.02 0.00 -1.56 0.00 0.00 34.95 29.31 3gyn s ARG 222 CO 0.31 -0.76 0.71 0.00 -0.81 0.00 0.00 175.30 174.76 3gyn h PHE 224 N -1.89 -0.51 -0.72 0.00 3.57 -1.96 -0.07 116.94 115.36 3gyn h PHE 224 Ca -0.66 0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.06 3gyn h PHE 224 Cb 1.37 0.32 -0.11 0.00 2.79 0.00 0.00 35.95 40.32 3gyn h PHE 224 CO 0.33 -0.31 0.18 -0.44 -2.23 0.00 0.00 178.31 175.84 3gyn h ASP 225 N -0.06 0.03 0.02 0.41 5.19 -1.90 0.11 116.42 120.22 3gyn h ASP 225 Ca 0.28 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.80 3gyn h ASP 225 Cb 0.50 0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 3gyn h ASP 225 CO -0.66 -0.02 -0.07 0.28 -3.12 0.00 0.00 179.24 175.65 3gyn h SER 226 N 0.28 0.13 1.63 6.45 0.02 -1.31 -2.36 113.55 118.38 3gyn h SER 226 Ca 0.40 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3gyn h SER 226 Cb 0.68 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3gyn h SER 226 CO -0.49 0.23 0.00 0.71 -1.14 0.00 0.00 176.83 176.14 3gyn h THR 227 N 0.14 0.00 -2.69 -2.27 1.35 -0.31 -3.45 112.91 105.68 3gyn h THR 227 Ca 0.03 -0.71 -0.54 0.00 -0.55 0.00 0.00 66.41 64.64 3gyn h THR 227 Cb 0.22 1.70 0.01 0.00 -1.73 0.00 0.00 68.15 68.35 3gyn h THR 227 CO 0.01 0.00 1.00 -0.69 -0.25 0.00 0.00 175.52 175.59 3gyn s VAL 228 N -3.22 3.35 0.41 6.82 1.01 -0.93 -4.82 120.40 123.01 3gyn s VAL 228 Ca 0.08 0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.80 3gyn s VAL 228 Cb 0.08 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3gyn s VAL 228 CO 0.61 -0.02 0.51 0.42 0.00 0.00 0.00 175.10 176.62 3gyn s THR 229 N 3.11 2.99 0.20 3.92 -4.23 -1.26 -3.97 115.64 116.39 3gyn s THR 229 Ca 0.72 -1.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.04 3gyn s THR 229 Cb -0.36 -3.03 0.12 0.00 1.34 0.00 0.00 72.50 70.58 3gyn s THR 229 CO 0.30 -0.01 1.78 -0.08 -0.54 0.00 0.00 174.62 176.07 3gyn h GLU 230 N 0.76 0.51 -0.57 3.99 4.81 -1.87 -1.52 114.58 120.69 3gyn h GLU 230 Ca -0.41 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 58.91 3gyn h GLU 230 Cb 1.27 -0.12 -0.10 0.00 0.63 0.00 0.00 28.75 30.44 3gyn h GLU 230 CO 0.49 0.34 -0.04 -0.97 -0.73 0.00 0.00 179.01 178.10 3gyn h ASN 231 N 0.53 -0.32 -0.87 1.04 -1.24 -1.97 -0.69 115.58 112.06 3gyn h ASN 231 Ca 0.28 0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.44 3gyn h ASN 231 Cb 0.24 0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.52 3gyn h ASN 231 CO -0.22 -0.12 0.54 0.44 -1.29 0.00 0.00 177.43 176.78 3gyn h ASP 232 N 0.08 1.02 0.28 1.15 3.32 -1.69 0.25 116.42 120.84 3gyn h ASP 232 Ca 0.29 -0.05 -0.22 0.00 0.02 0.00 0.00 57.03 57.07 3gyn h ASP 232 Cb 0.46 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3gyn h ASP 232 CO -0.51 0.77 -0.90 0.40 -1.72 0.00 0.00 179.24 177.27 3gyn h ILE 233 N 1.18 1.39 -0.39 0.35 2.04 -1.01 -1.48 117.51 119.59 3gyn h ILE 233 Ca 0.31 -2.36 -0.08 0.00 1.00 0.00 0.00 64.86 63.73 3gyn h ILE 233 Cb -0.08 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3gyn h ILE 233 CO -0.06 0.71 -0.09 0.03 0.00 0.00 0.00 178.15 178.74 3gyn h ARG 234 N 0.26 0.74 -0.52 2.37 3.08 -0.91 -2.26 114.38 117.15 3gyn h ARG 234 Ca -0.07 -0.28 0.04 0.00 0.07 0.00 0.00 59.98 59.74 3gyn h ARG 234 Cb 1.53 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.49 3gyn h ARG 234 CO 0.16 0.88 0.27 0.28 -1.07 0.00 0.00 179.97 180.49 3gyn h VAL 235 N 0.55 0.97 -0.38 2.04 2.07 -0.40 -1.44 116.25 119.66 3gyn h VAL 235 Ca 0.10 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 3gyn h VAL 235 Cb 0.60 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3gyn h VAL 235 CO 0.04 0.10 0.04 1.05 0.02 0.00 0.00 177.57 178.81 3gyn h GLU 236 N 0.52 0.58 -0.45 1.57 4.11 -1.22 -2.26 114.58 117.43 3gyn h GLU 236 Ca 0.22 -0.12 -0.04 0.00 0.07 0.00 0.00 59.36 59.50 3gyn h GLU 236 Cb 0.12 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3gyn h GLU 236 CO -0.15 0.58 0.14 1.49 0.07 0.00 0.00 179.01 181.14 3gyn h GLU 237 N 0.56 0.70 -0.01 1.06 4.81 -0.75 -0.77 114.58 120.17 3gyn h GLU 237 Ca 0.12 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3gyn h GLU 237 Cb 0.30 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 3gyn h GLU 237 CO 0.01 0.68 0.01 0.66 -0.73 0.00 0.00 179.01 179.63 3gyn h SER 238 N 0.60 0.00 -0.01 1.04 4.64 -0.97 0.17 113.55 119.02 3gyn h SER 238 Ca 0.15 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3gyn h SER 238 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3gyn h SER 238 CO -0.00 0.00 -0.01 0.40 -0.87 0.00 0.00 176.83 176.35 3gyn h ILE 239 N 0.00 1.38 -0.63 0.95 2.04 -0.79 -2.97 117.51 117.50 3gyn h ILE 239 Ca 0.01 -1.14 0.12 0.00 1.00 0.00 0.00 64.86 64.85 3gyn h ILE 239 Cb 0.03 2.14 -0.09 0.00 -0.74 0.00 0.00 36.82 38.16 3gyn h ILE 239 CO -0.00 0.30 0.12 1.88 0.00 0.00 0.00 178.15 180.45 3gyn h TYR 240 N -0.46 0.19 0.00 1.37 0.05 -0.33 -1.99 116.97 115.80 3gyn h TYR 240 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3gyn h TYR 240 Cb 0.49 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.24 3gyn h TYR 240 CO 0.09 -0.05 0.00 1.96 -1.05 0.00 0.00 178.16 179.11 3gyn h GLN 241 N 0.25 0.00 0.00 4.88 1.08 -0.73 -2.03 115.11 118.56 3gyn h GLN 241 Ca 0.33 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.52 3gyn h GLN 241 Cb 0.52 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3gyn h GLN 241 CO -0.43 0.00 -0.06 0.00 -0.95 0.00 0.00 178.83 177.39 3gyn s ASP 244 N -2.30 6.56 0.05 0.00 -1.08 0.57 -4.99 116.67 115.48 3gyn s ASP 244 Ca 0.71 1.06 0.04 0.00 -0.52 0.00 0.00 52.55 53.84 3gyn s ASP 244 Cb -0.26 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.63 3gyn s ASP 244 CO 0.49 -1.20 -0.11 -0.76 0.52 0.00 0.00 175.17 174.10 3gyn s LEU 245 N 4.73 2.24 0.51 -1.34 1.43 -1.26 -1.91 118.68 123.08 3gyn s LEU 245 Ca 0.58 -0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 52.91 3gyn s LEU 245 Cb -0.15 -0.36 -0.08 0.00 0.03 0.00 0.00 46.19 45.63 3gyn s LEU 245 CO 0.27 -0.11 1.05 0.00 0.23 0.00 0.00 176.35 177.78 3gyn n ALA 246 N 1.50 0.43 -0.25 4.21 0.00 -1.26 -4.84 120.51 120.30 3gyn n ALA 246 Ca -0.21 0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.45 3gyn n ALA 246 Cb 0.55 -2.14 0.36 0.00 0.00 0.00 0.00 19.45 18.22 3gyn n ALA 246 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3gyn h PRO 247 N 1.14 0.72 -0.09 0.00 0.11 -2.00 -2.23 132.00 129.65 3gyn h PRO 247 Ca -0.47 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.43 3gyn h PRO 247 Cb 1.34 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3gyn h PRO 247 CO 0.55 0.47 -0.66 0.93 -0.21 0.00 0.00 178.00 179.08 3gyn h GLU 248 N 0.74 0.36 -0.21 1.05 5.08 -2.00 -2.71 114.58 116.89 3gyn h GLU 248 Ca 0.40 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3gyn h GLU 248 Cb 0.55 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3gyn h GLU 248 CO -0.17 0.89 0.13 0.00 -1.00 0.00 0.00 179.01 178.86 3gyn h ALA 249 N 1.04 0.26 -0.73 3.43 0.00 -1.78 -0.43 119.26 121.05 3gyn h ALA 249 Ca -0.02 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3gyn h ALA 249 Cb 1.20 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 3gyn h ALA 249 CO 0.11 -0.24 0.38 0.00 0.00 0.00 0.00 179.25 179.50 3gyn h ARG 250 N 0.26 0.64 -0.16 0.00 3.08 -1.38 -1.11 114.38 115.71 3gyn h ARG 250 Ca 0.07 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3gyn h ARG 250 Cb -0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 3gyn h ARG 250 CO -0.02 0.42 -0.11 0.37 -1.07 0.00 0.00 179.97 179.57 3gyn h GLN 251 N 0.66 0.36 -0.97 0.04 5.75 -1.24 -2.11 115.11 117.59 3gyn h GLN 251 Ca 0.35 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3gyn h GLN 251 Cb 0.34 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.83 3gyn h GLN 251 CO -0.25 0.70 0.60 0.00 -2.65 0.00 0.00 178.83 177.23 3gyn h ALA 252 N 0.66 1.24 -0.47 3.38 0.00 -0.87 -0.38 119.26 122.82 3gyn h ALA 252 Ca 0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3gyn h ALA 252 Cb 0.60 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3gyn h ALA 252 CO 0.03 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.73 3gyn h ILE 253 N 1.32 1.27 -0.35 0.00 2.04 -1.18 0.14 117.51 120.75 3gyn h ILE 253 Ca 0.35 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 3gyn h ILE 253 Cb -0.09 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3gyn h ILE 253 CO -0.07 0.39 0.10 0.50 0.00 0.00 0.00 178.15 179.07 3gyn h LYS 254 N 0.69 0.55 -0.03 2.37 3.64 -1.13 -0.84 116.57 121.81 3gyn h LYS 254 Ca 0.13 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gyn h LYS 254 Cb 0.55 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3gyn h LYS 254 CO 0.03 0.58 0.02 1.03 -2.27 0.00 0.00 179.45 178.84 3gyn h SER 255 N 0.42 0.04 -0.98 4.20 0.87 -0.95 -1.42 113.55 115.74 3gyn h SER 255 Ca 0.11 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3gyn h SER 255 Cb 0.27 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 3gyn h SER 255 CO -0.00 0.14 0.64 -0.07 -0.53 0.00 0.00 176.83 177.01 3gyn h LEU 256 N -0.06 1.08 0.46 2.23 3.38 -0.71 0.60 115.31 122.30 3gyn h LEU 256 Ca 0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3gyn h LEU 256 Cb 0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3gyn h LEU 256 CO -0.00 0.75 -0.26 0.74 0.09 0.00 0.00 178.44 179.76 3gyn h THR 257 N 1.26 0.46 -0.36 0.22 2.02 -0.98 0.11 112.91 115.65 3gyn h THR 257 Ca 0.38 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.48 3gyn h THR 257 Cb -0.05 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3gyn h THR 257 CO -0.11 0.00 -0.12 -0.33 0.37 0.00 0.00 175.52 175.33 3gyn h GLU 258 N -0.67 0.64 0.00 6.66 4.39 -1.03 -1.46 114.58 123.10 3gyn h GLU 258 Ca -0.06 -0.20 -0.18 0.00 0.34 0.00 0.00 59.36 59.26 3gyn h GLU 258 Cb 0.54 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 3gyn h GLU 258 CO 0.07 0.74 -1.93 0.54 -1.16 0.00 0.00 179.01 177.27 3gyn n ARG 259 N -4.18 0.66 0.08 2.33 1.74 0.18 -4.73 116.66 112.74 3gyn n ARG 259 Ca 0.01 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3gyn n ARG 259 Cb 0.34 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3gyn n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3gyn n LEU 260 N -2.64 0.56 -0.23 0.55 7.94 0.16 -0.62 117.00 122.72 3gyn n LEU 260 Ca -0.16 0.27 -0.07 0.00 -1.11 0.00 0.00 56.01 54.94 3gyn n LEU 260 Cb 0.86 -0.03 0.04 0.00 0.53 0.00 0.00 43.42 44.82 3gyn n LEU 260 CO 0.44 -0.76 0.98 1.88 -1.11 0.00 0.00 177.39 178.82 3gyn h TYR 261 N 0.00 1.02 -0.45 1.96 0.05 -0.82 -2.67 116.97 116.06 3gyn h TYR 261 Ca 0.00 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.64 3gyn h TYR 261 Cb 0.00 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.42 3gyn h TYR 261 CO 0.00 0.81 0.06 0.82 -1.05 0.00 0.00 178.16 178.81 3gyn h ILE 262 N 0.92 1.21 0.00 -2.88 2.04 -1.51 -3.42 117.51 113.88 3gyn h ILE 262 Ca 0.21 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3gyn h ILE 262 Cb 0.25 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3gyn h ILE 262 CO -0.01 0.29 0.00 0.61 0.00 0.00 0.00 178.15 179.04 3gyn n GLY 263 N -0.85 -1.94 0.00 5.37 0.00 -1.01 -4.02 105.19 102.75 3gyn n GLY 263 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3gyn n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyn n GLY 264 N -0.39 2.43 3.79 -0.02 0.00 -0.87 -4.10 105.19 106.03 3gyn n GLY 264 Ca 0.00 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 3gyn n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gyn s PRO 265 N -2.02 3.22 -0.13 1.61 0.04 -1.26 -1.20 135.00 135.26 3gyn s PRO 265 Ca 0.00 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.39 3gyn s PRO 265 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3gyn s PRO 265 CO 0.00 -0.91 -0.20 -0.51 0.04 0.00 0.00 177.00 175.42 3gyn s LEU 266 N -4.41 2.27 -0.05 -3.56 1.43 -0.18 -3.29 118.68 110.89 3gyn s LEU 266 Ca 0.66 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 3gyn s LEU 266 Cb -0.18 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 3gyn s LEU 266 CO 0.35 0.12 -0.21 -0.89 0.23 0.00 0.00 176.35 175.95 3gyn s THR 267 N 0.61 1.71 0.80 5.49 2.01 -0.55 0.11 115.64 125.81 3gyn s THR 267 Ca -0.11 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 60.93 3gyn s THR 267 Cb -0.16 -1.46 0.12 0.00 0.01 0.00 0.00 72.50 71.01 3gyn s THR 267 CO 0.03 0.48 1.12 0.54 -0.69 0.00 0.00 174.62 176.10 3gyn s ASN 268 N -0.05 4.15 0.53 3.53 2.20 -0.03 -0.79 114.94 124.49 3gyn s ASN 268 Ca -0.04 0.23 0.36 0.00 -0.94 0.00 0.00 52.86 52.47 3gyn s ASN 268 Cb -0.13 -0.61 1.82 0.00 -2.00 0.00 0.00 41.25 40.33 3gyn s ASN 268 CO 0.03 -2.04 2.09 0.77 -2.94 0.00 0.00 177.10 175.01 3gyn h SER 269 N -0.94 0.00 0.44 3.54 4.64 -1.78 -0.52 113.55 118.92 3gyn h SER 269 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3gyn h SER 269 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3gyn h SER 269 CO 0.49 0.00 -0.20 0.29 -0.87 0.00 0.00 176.83 176.54 3gyn n LYS 270 N -2.83 0.51 -0.53 4.77 5.02 -1.26 -4.93 118.16 118.90 3gyn n LYS 270 Ca -0.01 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 3gyn n LYS 270 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3gyn n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gyn n GLY 271 N 1.36 0.72 3.82 0.72 0.00 -0.20 -5.07 105.19 106.53 3gyn n GLY 271 Ca 0.11 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3gyn n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gyn s GLN 272 N -0.59 4.16 -0.05 1.61 -0.21 -1.26 -4.82 119.66 118.50 3gyn s GLN 272 Ca 0.00 0.70 -0.30 0.00 0.02 0.00 0.00 55.36 55.78 3gyn s GLN 272 Cb 0.00 -3.08 -0.05 0.00 1.00 0.00 0.00 33.01 30.88 3gyn s GLN 272 CO 0.00 0.54 1.48 1.21 -2.12 0.00 0.00 175.29 176.40 3gyn s ASN 273 N -1.40 6.79 -0.00 5.90 3.04 -1.26 -0.86 114.94 127.15 3gyn s ASN 273 Ca 0.34 2.09 0.22 0.00 0.04 0.00 0.00 52.86 55.55 3gyn s ASN 273 Cb -0.18 -2.55 -0.21 0.00 -1.54 0.00 0.00 41.25 36.78 3gyn s ASN 273 CO 0.20 -0.81 0.80 0.00 -3.04 0.00 0.00 177.10 174.24 3gyn n GLY 275 N 1.41 0.62 3.00 0.00 0.00 -1.22 -1.22 105.19 107.77 3gyn n GLY 275 Ca 0.01 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 3gyn n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gyn s TYR 276 N -3.76 -0.13 -0.11 1.61 5.04 0.69 -1.01 117.35 119.68 3gyn s TYR 276 Ca 0.00 0.33 -0.04 0.00 -2.44 0.00 0.00 57.07 54.92 3gyn s TYR 276 Cb 0.00 0.04 -0.04 0.00 0.35 0.00 0.00 41.96 42.32 3gyn s TYR 276 CO 0.00 -0.07 0.04 0.50 -1.34 0.00 0.00 175.55 174.69 3gyn s ARG 277 N 0.09 3.25 -0.09 4.97 3.52 -0.34 -0.64 118.95 129.71 3gyn s ARG 277 Ca -0.00 -0.33 0.20 0.00 -0.13 0.00 0.00 55.73 55.46 3gyn s ARG 277 Cb -0.01 -2.95 0.43 0.00 -1.56 0.00 0.00 34.95 30.85 3gyn s ARG 277 CO -0.00 0.66 1.19 0.54 -0.81 0.00 0.00 175.30 176.88 3gyn n ARG 278 N 2.31 0.71 -1.83 5.12 1.74 0.08 -2.05 116.66 122.75 3gyn n ARG 278 Ca -0.19 -2.58 0.00 0.00 -0.77 0.00 0.00 57.85 54.31 3gyn n ARG 278 Cb 0.54 -0.72 0.00 0.00 -1.02 0.00 0.00 32.46 31.26 3gyn n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gyn s ARG 280 N -1.94 4.20 0.04 0.00 6.06 -0.92 -4.63 118.95 121.76 3gyn s ARG 280 Ca 0.00 2.35 -0.30 0.00 -2.50 0.00 0.00 55.73 55.28 3gyn s ARG 280 Cb 0.00 -3.53 -0.05 0.00 0.06 0.00 0.00 34.95 31.43 3gyn s ARG 280 CO 0.00 -0.72 1.07 0.00 -2.50 0.00 0.00 175.30 173.15 3gyn s ALA 281 N 2.43 3.27 -0.15 6.12 0.00 -1.26 -4.74 121.76 127.42 3gyn s ALA 281 Ca 0.74 0.68 0.24 0.00 0.00 0.00 0.00 51.96 53.62 3gyn s ALA 281 Cb -0.41 -3.38 0.64 0.00 0.00 0.00 0.00 23.12 19.97 3gyn s ALA 281 CO 0.32 -0.29 1.71 0.66 0.00 0.00 0.00 175.76 178.16 3gyn h SER 282 N 6.59 0.00 -1.71 0.00 4.64 -1.88 -3.35 113.55 117.84 3gyn h SER 282 Ca -0.42 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.26 3gyn h SER 282 Cb 1.22 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.93 3gyn h SER 282 CO 0.77 0.14 -0.17 0.61 -0.87 0.00 0.00 176.83 177.31 3gyn n GLY 283 N 0.70 5.85 3.41 -0.77 0.00 0.49 -4.13 105.19 110.73 3gyn n GLY 283 Ca 0.02 -2.68 -0.21 0.00 0.00 0.00 0.00 46.02 43.15 3gyn n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gyn s VAL 284 N -5.33 2.04 0.30 1.61 -7.23 -1.16 -4.31 120.40 106.31 3gyn s VAL 284 Ca 0.49 -2.28 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 3gyn s VAL 284 Cb 0.40 -2.21 0.27 0.00 0.56 0.00 0.00 36.38 35.41 3gyn s VAL 284 CO -0.25 -0.48 1.94 0.25 -0.31 0.00 0.00 175.10 176.25 3gyn h LEU 285 N 2.40 0.94 -0.18 1.32 5.85 -1.79 -2.47 115.31 121.38 3gyn h LEU 285 Ca -0.39 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3gyn h LEU 285 Cb 1.24 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3gyn h LEU 285 CO 0.62 0.65 0.00 0.35 -0.34 0.00 0.00 178.44 179.72 3gyn n THR 286 N -4.45 0.00 0.05 1.05 -2.24 -1.26 -4.31 114.28 103.13 3gyn n THR 286 Ca 0.12 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.73 3gyn n THR 286 Cb 0.11 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 3gyn n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3gyn h THR 287 N 0.43 0.27 0.16 4.28 2.02 -1.69 0.36 112.91 118.74 3gyn h THR 287 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3gyn h THR 287 Cb 0.09 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3gyn h THR 287 CO 0.00 0.00 -0.08 -1.28 0.37 0.00 0.00 175.52 174.53 3gyn h SER 288 N -0.48 -0.19 -0.19 4.18 0.87 -1.75 -1.45 113.55 114.55 3gyn h SER 288 Ca 0.06 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 3gyn h SER 288 Cb 0.57 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 3gyn h SER 288 CO -0.29 -0.11 0.01 0.00 -0.53 0.00 0.00 176.83 175.92 3gyn h GLY 290 N 0.09 0.89 1.02 0.00 0.00 -0.33 -0.69 103.07 104.04 3gyn h GLY 290 Ca 0.05 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 3gyn h GLY 290 CO 0.01 0.38 0.25 3.43 0.00 0.00 0.00 176.54 180.60 3gyn h ASN 291 N 0.81 0.92 0.03 0.19 4.21 -1.23 -1.01 115.58 119.50 3gyn h ASN 291 Ca 0.21 -0.18 -0.00 0.00 1.21 0.00 0.00 56.30 57.54 3gyn h ASN 291 Cb 0.03 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 36.99 3gyn h ASN 291 CO -0.04 0.86 -0.01 0.74 -1.29 0.00 0.00 177.43 177.69 3gyn h THR 292 N 0.93 1.11 -0.47 2.81 2.02 -1.03 0.18 112.91 118.47 3gyn h THR 292 Ca 0.22 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3gyn h THR 292 Cb 0.23 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3gyn h THR 292 CO -0.01 0.11 0.30 -0.07 0.37 0.00 0.00 175.52 176.22 3gyn h LEU 293 N -0.23 0.52 -0.51 2.58 3.38 -1.14 -0.22 115.31 119.69 3gyn h LEU 293 Ca -0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3gyn h LEU 293 Cb 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3gyn h LEU 293 CO 0.01 0.37 -0.03 0.74 0.09 0.00 0.00 178.44 179.63 3gyn h THR 294 N 0.62 1.27 -0.30 0.22 2.02 -1.06 -0.44 112.91 115.23 3gyn h THR 294 Ca 0.17 -1.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.17 3gyn h THR 294 Cb -0.06 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3gyn h THR 294 CO -0.05 0.40 0.00 0.00 0.37 0.00 0.00 175.52 176.24 3gyn h TYR 296 N 0.33 0.88 0.20 0.00 3.20 -0.97 -1.00 116.97 119.61 3gyn h TYR 296 Ca 0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3gyn h TYR 296 Cb 0.43 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3gyn h TYR 296 CO 0.04 0.53 -0.09 1.25 -1.64 0.00 0.00 178.16 178.25 3gyn h LEU 297 N 0.94 -0.22 -0.54 2.82 5.85 -0.97 0.54 115.31 123.73 3gyn h LEU 297 Ca 0.27 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3gyn h LEU 297 Cb -0.06 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3gyn h LEU 297 CO -0.08 0.02 0.20 0.11 -0.34 0.00 0.00 178.44 178.36 3gyn h LYS 298 N -0.47 0.81 -0.25 1.25 1.57 -1.38 -2.45 116.57 115.65 3gyn h LYS 298 Ca -0.03 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 3gyn h LYS 298 Cb 0.36 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3gyn h LYS 298 CO 0.04 0.72 -0.26 0.00 -0.57 0.00 0.00 179.45 179.38 3gyn h ALA 299 N 1.05 0.37 -0.37 3.86 0.00 -1.18 0.13 119.26 123.13 3gyn h ALA 299 Ca 0.18 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3gyn h ALA 299 Cb 0.22 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3gyn h ALA 299 CO -0.01 0.36 0.01 0.77 0.00 0.00 0.00 179.25 180.38 3gyn h SER 300 N 0.34 -0.12 -0.66 0.00 0.02 -0.89 0.13 113.55 112.37 3gyn h SER 300 Ca 0.04 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3gyn h SER 300 Cb 0.82 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 3gyn h SER 300 CO 0.06 -0.02 0.25 0.00 -1.14 0.00 0.00 176.83 175.99 3gyn h ALA 301 N 1.31 1.16 -0.18 3.77 0.00 -1.36 -2.76 119.26 121.21 3gyn h ALA 301 Ca 0.18 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3gyn h ALA 301 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gyn h ALA 301 CO -0.29 0.60 -0.44 0.00 0.00 0.00 0.00 179.25 179.12 3gyn h ALA 302 N 1.28 0.91 -0.77 0.00 0.00 -0.28 -1.33 119.26 119.07 3gyn h ALA 302 Ca 0.23 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3gyn h ALA 302 Cb 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3gyn h ALA 302 CO -0.02 0.64 0.48 0.00 0.00 0.00 0.00 179.25 180.36 3gyn h ARG 304 N 1.05 0.79 -0.80 0.00 3.08 -1.31 -0.47 114.38 116.73 3gyn h ARG 304 Ca 0.28 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3gyn h ARG 304 Cb -0.07 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3gyn h ARG 304 CO -0.06 0.93 0.53 0.00 -1.07 0.00 0.00 179.97 180.30 3gyn h ALA 305 N 0.83 1.45 -0.01 0.04 0.00 -1.01 -2.39 119.26 118.17 3gyn h ALA 305 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gyn h ALA 305 Cb 0.65 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gyn h ALA 305 CO 0.04 0.50 -0.20 0.00 0.00 0.00 0.00 179.25 179.60 3gyn n ALA 306 N -2.41 2.96 -4.02 0.00 0.00 -0.39 -4.94 120.51 111.70 3gyn n ALA 306 Ca 0.09 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 3gyn n ALA 306 Cb 0.05 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.28 3gyn n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gyn n LYS 307 N -0.79 -4.10 -2.00 0.00 5.02 -0.28 -4.89 118.16 111.13 3gyn n LYS 307 Ca 0.13 0.47 -0.41 0.00 -2.02 0.00 0.00 58.31 56.48 3gyn n LYS 307 Cb 0.32 -5.10 -0.02 0.00 -0.02 0.00 0.00 35.03 30.21 3gyn n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gyn s LEU 308 N -7.16 4.38 -0.15 -0.35 1.02 -0.63 -4.97 118.68 110.82 3gyn s LEU 308 Ca 0.48 2.68 -0.20 0.00 0.02 0.00 0.00 54.13 57.12 3gyn s LEU 308 Cb -0.25 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.30 3gyn s LEU 308 CO 0.88 -0.72 0.56 -1.10 0.02 0.00 0.00 176.35 175.99 3gyn s GLN 309 N -0.31 4.28 -1.06 1.70 -1.52 -1.26 -4.34 119.66 117.16 3gyn s GLN 309 Ca 0.60 0.55 -0.16 0.00 -1.95 0.00 0.00 55.36 54.40 3gyn s GLN 309 Cb -0.42 -3.51 -0.01 0.00 -0.22 0.00 0.00 33.01 28.85 3gyn s GLN 309 CO 0.43 -0.04 0.77 -3.47 -0.25 0.00 0.00 175.29 172.74 3gyn n ASP 310 N 4.33 -5.63 -4.75 5.90 2.03 -1.26 -0.13 116.55 117.04 3gyn n ASP 310 Ca -0.04 -0.90 -0.40 0.00 0.52 0.00 0.00 54.79 53.97 3gyn n ASP 310 Cb 0.51 -3.50 -0.04 0.00 -0.72 0.00 0.00 41.12 37.37 3gyn n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gyn s THR 312 N -0.87 1.03 0.03 0.00 2.01 0.13 -4.99 115.64 112.98 3gyn s THR 312 Ca 0.46 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.11 3gyn s THR 312 Cb -0.31 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 3gyn s THR 312 CO 0.38 0.35 0.10 -0.04 -0.69 0.00 0.00 174.62 174.72 3gyn s MET 313 N 1.19 3.07 -0.12 4.92 -1.94 -1.26 -0.42 119.30 124.74 3gyn s MET 313 Ca -0.05 -0.53 -0.01 0.00 -1.71 0.00 0.00 55.69 53.39 3gyn s MET 313 Cb -0.14 -2.85 0.03 0.00 2.01 0.00 0.00 34.83 33.88 3gyn s MET 313 CO -0.02 0.62 -0.05 -1.17 -0.01 0.00 0.00 175.02 174.38 3gyn s LEU 314 N -2.04 1.18 -0.11 -0.03 2.96 0.15 -4.29 118.68 116.50 3gyn s LEU 314 Ca 0.26 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3gyn s LEU 314 Cb -0.12 -0.78 0.02 0.00 0.50 0.00 0.00 46.19 45.80 3gyn s LEU 314 CO 0.18 -0.15 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.23 3gyn s VAL 315 N 1.74 1.40 -0.50 1.68 1.01 -0.16 -1.62 120.40 123.95 3gyn s VAL 315 Ca 0.04 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3gyn s VAL 315 Cb -0.13 -1.30 0.14 0.00 0.00 0.00 0.00 36.38 35.08 3gyn s VAL 315 CO -0.08 0.42 0.27 0.20 0.00 0.00 0.00 175.10 175.92 3gyn s ASN 316 N 1.15 4.03 1.90 3.32 -0.87 0.03 -0.78 114.94 123.72 3gyn s ASN 316 Ca -0.04 -2.93 0.00 0.00 -1.57 0.00 0.00 52.86 48.32 3gyn s ASN 316 Cb -0.14 -1.37 0.00 0.00 -0.02 0.00 0.00 41.25 39.72 3gyn s ASN 316 CO -0.04 -0.23 0.00 0.61 -2.57 0.00 0.00 177.10 174.87 3gyn n GLY 317 N 3.18 4.02 0.07 0.66 0.00 -1.26 -1.34 105.19 110.52 3gyn n GLY 317 Ca 0.08 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.30 3gyn n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gyn n ASP 318 N 8.25 0.24 -4.60 1.61 5.75 -1.26 -3.77 116.55 122.77 3gyn n ASP 318 Ca 0.00 -0.62 -0.41 0.00 -0.01 0.00 0.00 54.79 53.75 3gyn n ASP 318 Cb 0.00 -0.12 -0.07 0.00 -1.03 0.00 0.00 41.12 39.91 3gyn n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3gyn s ASP 319 N -2.33 6.48 -0.07 -1.12 -1.08 -0.45 -4.66 116.67 113.44 3gyn s ASP 319 Ca 0.35 0.44 0.03 0.00 -0.52 0.00 0.00 52.55 52.85 3gyn s ASP 319 Cb 0.21 -2.31 0.01 0.00 -1.46 0.00 0.00 42.92 39.36 3gyn s ASP 319 CO 0.43 -0.43 -0.16 -0.22 0.52 0.00 0.00 175.17 175.31 3gyn s LEU 320 N 2.52 1.83 -0.01 -1.34 2.96 -1.26 -0.79 118.68 122.59 3gyn s LEU 320 Ca 0.24 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 3gyn s LEU 320 Cb -0.15 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 3gyn s LEU 320 CO 0.11 0.10 -0.13 0.54 -1.32 0.00 0.00 176.35 175.65 3gyn s VAL 321 N 0.41 1.00 -0.06 1.68 0.11 -0.64 -1.19 120.40 121.72 3gyn s VAL 321 Ca -0.13 -0.55 0.04 0.00 -2.93 0.00 0.00 61.98 58.41 3gyn s VAL 321 Cb -0.15 -0.84 -0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3gyn s VAL 321 CO 0.05 0.28 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.21 3gyn s VAL 322 N -0.31 1.61 -0.06 2.04 1.01 -0.13 -0.67 120.40 123.88 3gyn s VAL 322 Ca 0.05 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.29 3gyn s VAL 322 Cb -0.05 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 3gyn s VAL 322 CO -0.00 0.46 -0.25 -0.63 0.00 0.00 0.00 175.10 174.67 3gyn s ILE 323 N 0.13 2.06 0.30 2.22 1.01 0.44 -1.47 121.20 125.89 3gyn s ILE 323 Ca -0.08 -1.07 -0.06 0.00 0.00 0.00 0.00 60.65 59.45 3gyn s ILE 323 Cb -0.14 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.62 3gyn s ILE 323 CO 0.04 0.57 0.51 0.00 0.00 0.00 0.00 174.94 176.06 3gyn s GLU 325 N -2.39 4.53 0.46 0.00 0.41 0.82 -1.06 118.70 121.47 3gyn s GLU 325 Ca 0.19 1.30 -0.22 0.00 -0.41 0.00 0.00 54.97 55.83 3gyn s GLU 325 Cb -0.02 -3.46 -0.08 0.00 -1.78 0.00 0.00 34.13 28.79 3gyn s GLU 325 CO 0.14 -0.03 1.07 0.45 -0.49 0.00 0.00 175.26 176.40 3gyn s SER 326 N 0.96 6.39 -0.16 -0.19 0.15 0.14 -4.44 113.70 116.56 3gyn s SER 326 Ca 0.49 2.04 0.17 0.00 0.70 0.00 0.00 55.95 59.35 3gyn s SER 326 Cb -0.20 -2.58 0.40 0.00 -1.71 0.00 0.00 66.02 61.93 3gyn s SER 326 CO 0.26 -0.75 1.27 0.00 1.20 0.00 0.00 173.24 175.22 3gyn n ALA 327 N -0.64 2.74 0.00 5.45 0.00 -1.26 -4.89 120.51 121.91 3gyn n ALA 327 Ca 0.08 -2.59 0.00 0.00 0.00 0.00 0.00 53.44 50.93 3gyn n ALA 327 Cb 0.51 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3gyn n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyn n GLY 328 N -1.06 -0.14 0.32 0.00 0.00 -1.26 -4.40 105.19 98.64 3gyn n GLY 328 Ca 0.19 -1.66 0.05 0.00 0.00 0.00 0.00 46.02 44.60 3gyn n GLY 328 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gyn h THR 329 N 0.00 1.07 -0.11 2.61 1.35 -1.99 -1.18 112.91 114.66 3gyn h THR 329 Ca 0.00 -0.21 -0.07 0.00 -0.55 0.00 0.00 66.41 65.58 3gyn h THR 329 Cb 0.00 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 3gyn h THR 329 CO 0.00 0.11 -0.22 -0.61 -0.25 0.00 0.00 175.52 174.55 3gyn h GLN 330 N 0.60 0.34 0.00 4.72 4.15 -2.00 -2.14 115.11 120.78 3gyn h GLN 330 Ca 0.20 -0.22 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 3gyn h GLN 330 Cb 0.06 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 3gyn h GLN 330 CO -0.05 0.82 -0.57 0.93 -1.93 0.00 0.00 178.83 178.03 3gyn h GLU 331 N -0.10 0.00 -0.10 1.69 4.39 -1.71 -2.22 114.58 116.52 3gyn h GLU 331 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 3gyn h GLU 331 Cb 0.81 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3gyn h GLU 331 CO 0.05 0.57 -0.04 -0.44 -1.16 0.00 0.00 179.01 177.98 3gyn h ASP 332 N 0.00 0.22 -0.86 1.42 3.32 -1.23 0.12 116.42 119.41 3gyn h ASP 332 Ca -0.01 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 56.66 3gyn h ASP 332 Cb 1.02 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 3gyn h ASP 332 CO 0.07 0.57 0.56 0.00 -1.72 0.00 0.00 179.24 178.73 3gyn h ALA 333 N 0.65 1.11 -0.42 3.45 0.00 -1.36 0.51 119.26 123.20 3gyn h ALA 333 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3gyn h ALA 333 Cb 0.49 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3gyn h ALA 333 CO 0.01 0.45 0.07 0.00 0.00 0.00 0.00 179.25 179.78 3gyn h ALA 334 N 1.33 0.55 -0.70 0.00 0.00 -1.36 -2.31 119.26 116.78 3gyn h ALA 334 Ca 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gyn h ALA 334 Cb -0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3gyn h ALA 334 CO -0.09 0.26 0.44 0.77 0.00 0.00 0.00 179.25 180.64 3gyn h SER 335 N 0.54 0.82 0.15 0.00 0.02 -0.31 -2.55 113.55 112.21 3gyn h SER 335 Ca 0.13 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 3gyn h SER 335 Cb 0.37 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3gyn h SER 335 CO 0.01 0.62 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.92 3gyn h LEU 336 N 0.95 0.27 -0.51 5.07 3.38 -0.81 -0.41 115.31 123.25 3gyn h LEU 336 Ca 0.25 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3gyn h LEU 336 Cb -0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3gyn h LEU 336 CO -0.05 0.59 0.15 0.03 0.09 0.00 0.00 178.44 179.25 3gyn h ARG 337 N 0.24 0.80 -0.21 1.13 3.08 -1.19 0.09 114.38 118.31 3gyn h ARG 337 Ca 0.03 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 3gyn h ARG 337 Cb 0.69 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3gyn h ARG 337 CO 0.05 0.75 0.01 0.28 -1.07 0.00 0.00 179.97 179.99 3gyn h VAL 338 N 0.70 1.24 -0.46 2.04 2.07 -1.18 0.69 116.25 121.36 3gyn h VAL 338 Ca 0.16 -0.83 0.09 0.00 0.82 0.00 0.00 66.70 66.95 3gyn h VAL 338 Cb 0.28 1.37 -0.09 0.00 -1.52 0.00 0.00 31.29 31.34 3gyn h VAL 338 CO -0.00 0.26 -0.17 0.15 0.02 0.00 0.00 177.57 177.83 3gyn h PHE 339 N 0.14 -0.40 -0.60 1.57 3.57 -1.00 -0.15 116.94 120.07 3gyn h PHE 339 Ca 0.06 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3gyn h PHE 339 Cb 0.37 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 3gyn h PHE 339 CO 0.03 -0.25 0.32 1.15 -2.23 0.00 0.00 178.31 177.32 3gyn h THR 340 N -0.06 1.20 -0.42 4.41 2.02 -0.73 -0.98 112.91 118.34 3gyn h THR 340 Ca 0.22 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 66.91 3gyn h THR 340 Cb 0.41 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 3gyn h THR 340 CO -0.51 0.22 0.20 -0.33 0.37 0.00 0.00 175.52 175.47 3gyn h GLU 341 N 0.82 0.39 0.18 6.66 5.08 -0.39 0.64 114.58 127.95 3gyn h GLU 341 Ca 0.21 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3gyn h GLU 341 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3gyn h GLU 341 CO -0.03 0.26 -0.13 0.00 -1.00 0.00 0.00 179.01 178.11 3gyn h ALA 342 N 1.23 -0.29 -0.88 3.43 0.00 -0.70 -0.68 119.26 121.37 3gyn h ALA 342 Ca 0.18 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3gyn h ALA 342 Cb 0.11 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3gyn h ALA 342 CO -0.14 -0.68 0.50 0.52 0.00 0.00 0.00 179.25 179.45 3gyn h MET 343 N -0.31 0.77 -0.61 0.00 2.86 -1.06 -0.87 114.93 115.71 3gyn h MET 343 Ca -0.01 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3gyn h MET 343 Cb 0.28 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3gyn h MET 343 CO -0.00 0.51 0.32 1.15 1.06 0.00 0.00 176.91 179.94 3gyn h THR 344 N 0.79 1.20 -0.66 2.22 2.02 -0.51 0.27 112.91 118.24 3gyn h THR 344 Ca 0.45 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3gyn h THR 344 Cb 0.49 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3gyn h THR 344 CO -0.29 0.22 0.31 0.03 0.37 0.00 0.00 175.52 176.17 3gyn h ARG 345 N 0.82 0.93 0.00 6.66 3.08 -0.29 -1.68 114.38 123.91 3gyn h ARG 345 Ca 0.21 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3gyn h ARG 345 Cb 0.07 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3gyn h ARG 345 CO -0.03 0.72 0.00 0.66 -1.07 0.00 0.00 179.97 180.25 3gyn n TYR 346 N -4.34 0.00 -2.64 3.04 4.01 -0.41 -1.16 117.16 115.65 3gyn n TYR 346 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 3gyn n TYR 346 Cb 0.13 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.21 3gyn n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3gyn n SER 347 N -0.87 -3.31 -3.05 7.72 2.88 -0.63 -4.90 113.62 111.45 3gyn n SER 347 Ca 0.16 -0.37 -0.17 0.00 -1.33 0.00 0.00 58.87 57.17 3gyn n SER 347 Cb 0.08 -3.12 -0.01 0.00 -0.75 0.00 0.00 64.21 60.41 3gyn n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gyn n ALA 348 N -2.61 1.20 -1.69 -1.46 0.00 0.90 -4.60 120.51 112.25 3gyn n ALA 348 Ca -0.10 -2.81 -0.33 0.00 0.00 0.00 0.00 53.44 50.19 3gyn n ALA 348 Cb 0.58 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3gyn n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gyn s PRO 349 N -1.30 3.37 0.57 0.00 0.04 -1.26 -4.02 135.00 132.39 3gyn s PRO 349 Ca 0.34 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.52 3gyn s PRO 349 Cb 0.29 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 3gyn s PRO 349 CO -0.10 -0.78 1.05 -1.25 0.04 0.00 0.00 177.00 175.96 3gyn s PRO 350 N -3.81 3.44 0.00 0.56 0.04 -1.26 -1.32 135.00 132.66 3gyn s PRO 350 Ca 0.66 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3gyn s PRO 350 Cb -0.17 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3gyn s PRO 350 CO 0.33 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.06 3gyn n GLY 351 N -0.81 1.47 3.68 0.56 0.00 0.65 -4.21 105.19 106.53 3gyn n GLY 351 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3gyn n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gyn s ASP 352 N -1.00 6.80 0.43 1.61 -0.00 -1.26 -4.94 116.67 118.31 3gyn s ASP 352 Ca 0.00 0.97 -0.25 0.00 -0.00 0.00 0.00 52.55 53.27 3gyn s ASP 352 Cb 0.00 -2.38 -0.09 0.00 -0.00 0.00 0.00 42.92 40.45 3gyn s ASP 352 CO 0.00 -0.25 1.22 -0.81 -0.00 0.00 0.00 175.17 175.34 3gyn n PRO 353 N 4.72 1.78 -2.23 8.23 -0.04 -1.26 -4.43 135.00 141.77 3gyn n PRO 353 Ca -0.01 0.64 -0.39 0.00 -0.04 0.00 0.00 63.50 63.70 3gyn n PRO 353 Cb 0.50 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 3gyn n PRO 353 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3gyn s PRO 354 N -2.24 4.16 -0.03 0.54 0.04 -1.26 -5.01 135.00 131.19 3gyn s PRO 354 Ca 0.63 1.98 0.05 0.00 0.04 0.00 0.00 61.00 63.69 3gyn s PRO 354 Cb -0.51 -2.82 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 3gyn s PRO 354 CO 0.57 -0.27 -0.18 -0.65 0.04 0.00 0.00 177.00 176.51 3gyn s GLN 355 N -2.09 1.70 0.31 4.56 -1.52 -1.26 -4.97 119.66 116.37 3gyn s GLN 355 Ca 0.54 -0.63 -0.29 0.00 -1.95 0.00 0.00 55.36 53.03 3gyn s GLN 355 Cb -0.34 -1.52 -0.10 0.00 -0.22 0.00 0.00 33.01 30.83 3gyn s GLN 355 CO 0.44 0.30 1.31 -2.14 -0.25 0.00 0.00 175.29 174.94 3gyn s PRO 356 N -0.12 4.37 -0.01 2.91 0.02 -1.26 -4.54 135.00 136.37 3gyn s PRO 356 Ca -0.00 2.18 0.06 0.00 0.02 0.00 0.00 61.00 63.26 3gyn s PRO 356 Cb -0.10 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 3gyn s PRO 356 CO 0.01 -0.19 -0.20 -1.21 -0.33 0.00 0.00 177.00 175.08 3gyn s GLU 357 N -1.46 1.58 0.00 5.54 0.41 0.13 -4.96 118.70 119.95 3gyn s GLU 357 Ca 0.50 -0.74 0.02 0.00 -0.41 0.00 0.00 54.97 54.35 3gyn s GLU 357 Cb -0.39 -1.55 0.01 0.00 -1.78 0.00 0.00 34.13 30.42 3gyn s GLU 357 CO 0.50 0.42 0.51 0.66 -0.49 0.00 0.00 175.26 176.85 3gyn n TYR 358 N 2.51 0.00 -3.91 1.61 4.01 -1.26 -1.31 117.16 118.81 3gyn n TYR 358 Ca -0.15 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.24 3gyn n TYR 358 Cb 0.53 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.42 3gyn n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3gyn s ASP 359 N -0.25 4.61 0.32 7.72 -1.08 -1.26 -4.99 116.67 121.74 3gyn s ASP 359 Ca 0.02 -0.93 0.06 0.00 -0.52 0.00 0.00 52.55 51.18 3gyn s ASP 359 Cb 0.01 -1.72 0.72 0.00 -1.46 0.00 0.00 42.92 40.47 3gyn s ASP 359 CO 0.03 -0.17 1.85 0.25 0.52 0.00 0.00 175.17 177.64 3gyn h LEU 360 N 8.05 0.77 -0.65 -1.34 5.85 -1.97 -1.12 115.31 124.90 3gyn h LEU 360 Ca -0.30 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3gyn h LEU 360 Cb 1.10 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3gyn h LEU 360 CO 0.57 0.38 0.00 -0.62 -0.34 0.00 0.00 178.44 178.43 3gyn n GLU 361 N -4.60 0.17 0.00 1.25 1.02 -1.26 -1.89 120.64 115.32 3gyn n GLU 361 Ca 0.19 0.41 0.12 0.00 -0.02 0.00 0.00 57.16 57.86 3gyn n GLU 361 Cb 0.44 -1.83 0.17 0.00 -0.02 0.00 0.00 31.44 30.20 3gyn n GLU 361 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gyn n LEU 362 N -2.15 1.38 -4.68 -4.62 4.77 -0.43 -4.64 117.00 106.63 3gyn n LEU 362 Ca 0.02 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.12 3gyn n LEU 362 Cb 0.21 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3gyn n LEU 362 CO 0.18 0.27 0.69 -0.63 -1.33 0.00 0.00 177.39 176.57 3gyn s ILE 363 N -2.58 4.84 -0.20 -0.08 1.01 -0.79 -5.04 121.20 118.36 3gyn s ILE 363 Ca 0.19 1.80 -0.07 0.00 0.00 0.00 0.00 60.65 62.57 3gyn s ILE 363 Cb 0.18 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3gyn s ILE 363 CO 0.59 0.01 0.07 -0.89 0.00 0.00 0.00 174.94 174.72 3gyn s THR 364 N 2.14 4.70 -0.14 2.92 2.01 -1.26 -4.32 115.64 121.69 3gyn s THR 364 Ca 0.42 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.24 3gyn s THR 364 Cb -0.17 -3.14 0.04 0.00 0.01 0.00 0.00 72.50 69.24 3gyn s THR 364 CO 0.14 0.43 0.38 -0.94 -0.69 0.00 0.00 174.62 173.93 3gyn s SER 365 N 0.65 -0.41 -1.39 3.53 1.04 0.32 -4.68 113.70 112.77 3gyn s SER 365 Ca 0.03 0.77 -0.02 0.00 0.48 0.00 0.00 55.95 57.22 3gyn s SER 365 Cb -0.13 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3gyn s SER 365 CO 0.02 -0.14 0.44 0.00 0.98 0.00 0.00 173.24 174.53 3gyn n SER 367 N -2.96 -4.09 -4.25 0.00 7.64 -1.26 -4.91 113.62 103.79 3gyn n SER 367 Ca -0.30 0.20 -0.14 0.00 1.01 0.00 0.00 58.87 59.64 3gyn n SER 367 Cb 0.68 -3.18 -0.10 0.00 -1.01 0.00 0.00 64.21 60.60 3gyn n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gyn s SER 368 N -1.89 1.80 0.05 6.43 0.01 -0.69 -4.40 113.70 115.01 3gyn s SER 368 Ca 0.00 -1.00 0.01 0.00 1.31 0.00 0.00 55.95 56.26 3gyn s SER 368 Cb 0.00 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.19 3gyn s SER 368 CO 0.00 -0.32 -0.05 0.54 0.41 0.00 0.00 173.24 173.81 3gyn s ASN 369 N -3.14 0.67 0.27 2.44 4.22 -0.45 -0.52 114.94 118.43 3gyn s ASN 369 Ca 0.16 -0.70 -0.29 0.00 -2.14 0.00 0.00 52.86 49.89 3gyn s ASN 369 Cb 0.02 0.09 -0.09 0.00 1.28 0.00 0.00 41.25 42.55 3gyn s ASN 369 CO 0.01 -0.35 1.20 -0.69 -2.04 0.00 0.00 177.10 175.23 3gyn s VAL 370 N -2.26 3.25 0.31 3.54 1.01 -1.26 -1.46 120.40 123.52 3gyn s VAL 370 Ca -0.05 1.19 0.06 0.00 0.00 0.00 0.00 61.98 63.19 3gyn s VAL 370 Cb -0.04 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3gyn s VAL 370 CO -0.03 0.26 0.26 -0.55 0.00 0.00 0.00 175.10 175.04 3gyn s SER 371 N -0.45 1.47 -0.02 3.32 0.15 0.32 -4.37 113.70 114.12 3gyn s SER 371 Ca 0.49 -1.71 0.05 0.00 0.70 0.00 0.00 55.95 55.48 3gyn s SER 371 Cb -0.35 0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 64.49 3gyn s SER 371 CO 0.43 -1.04 -0.17 0.54 1.20 0.00 0.00 173.24 174.20 3gyn s VAL 372 N -3.53 1.37 0.00 4.45 0.11 -1.26 -1.44 120.40 120.10 3gyn s VAL 372 Ca 0.40 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 3gyn s VAL 372 Cb 0.03 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 3gyn s VAL 372 CO 0.26 0.39 0.00 0.00 -3.33 0.00 0.00 175.10 172.42 3gyn n ALA 373 N 2.79 0.00 -2.76 1.54 0.00 -0.65 -3.26 120.51 118.18 3gyn n ALA 373 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 3gyn n ALA 373 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 3gyn n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3gyn s HIS 374 N -2.70 1.45 0.17 0.00 3.76 0.47 -0.67 115.29 117.78 3gyn s HIS 374 Ca 0.00 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.54 3gyn s HIS 374 Cb 0.00 -0.97 0.04 0.00 1.11 0.00 0.00 32.58 32.76 3gyn s HIS 374 CO 0.00 -0.09 0.24 -0.40 -0.85 0.00 0.00 174.74 173.64 3gyn n ASP 375 N 2.97 0.08 -0.35 1.40 3.85 -0.53 -0.36 116.55 123.60 3gyn n ASP 375 Ca -0.16 -1.12 0.02 0.00 -0.71 0.00 0.00 54.79 52.82 3gyn n ASP 375 Cb 0.54 -0.18 0.17 0.00 -1.35 0.00 0.00 41.12 40.30 3gyn n ASP 375 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gyn h ALA 376 N -1.59 1.34 0.00 2.12 0.00 -1.89 -1.78 119.26 117.46 3gyn h ALA 376 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gyn h ALA 376 Cb 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gyn h ALA 376 CO 0.06 0.39 0.00 0.43 0.00 0.00 0.00 179.25 180.13 3gyn n SER 377 N -4.54 0.00 0.00 0.00 7.64 -1.26 -4.83 113.62 110.63 3gyn n SER 377 Ca 0.15 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3gyn n SER 377 Cb 0.19 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 3gyn n SER 377 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gyn n GLY 378 N 0.37 0.78 3.68 0.23 0.00 -0.67 -5.01 105.19 104.57 3gyn n GLY 378 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3gyn n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gyn s LYS 379 N -0.22 4.36 0.17 1.61 2.20 -1.26 -4.75 119.74 121.85 3gyn s LYS 379 Ca 0.00 1.50 -0.33 0.00 -0.36 0.00 0.00 55.97 56.78 3gyn s LYS 379 Cb 0.00 -3.58 -0.14 0.00 -1.51 0.00 0.00 37.83 32.59 3gyn s LYS 379 CO 0.00 -0.44 1.45 0.54 -0.36 0.00 0.00 175.35 176.54 3gyn n ARG 380 N 5.43 1.88 -4.57 4.03 1.74 -1.26 -1.46 116.66 122.45 3gyn n ARG 380 Ca 0.10 0.67 -0.22 0.00 -0.77 0.00 0.00 57.85 57.64 3gyn n ARG 380 Cb 0.47 -2.37 -0.15 0.00 -1.02 0.00 0.00 32.46 29.40 3gyn n ARG 380 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gyn s VAL 381 N 0.45 1.15 0.03 1.55 0.11 0.16 -4.88 120.40 118.97 3gyn s VAL 381 Ca 0.76 -0.76 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 3gyn s VAL 381 Cb -0.73 -0.99 -0.06 0.00 -1.53 0.00 0.00 36.38 33.08 3gyn s VAL 381 CO 0.44 0.22 0.38 -0.31 -3.33 0.00 0.00 175.10 172.50 3gyn s TYR 382 N -0.51 3.64 0.19 1.54 2.02 -1.26 -1.63 117.35 121.33 3gyn s TYR 382 Ca 0.04 0.84 -0.12 0.00 -0.37 0.00 0.00 57.07 57.47 3gyn s TYR 382 Cb -0.06 -2.19 0.00 0.00 -0.40 0.00 0.00 41.96 39.31 3gyn s TYR 382 CO 0.00 0.59 0.38 1.52 -1.57 0.00 0.00 175.55 176.47 3gyn s TYR 383 N -1.24 0.27 -0.18 2.71 1.13 -0.52 -4.99 117.35 114.51 3gyn s TYR 383 Ca 0.28 -0.62 -0.08 0.00 -1.41 0.00 0.00 57.07 55.24 3gyn s TYR 383 Cb -0.15 0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.77 3gyn s TYR 383 CO 0.15 -0.82 0.08 -1.17 -2.51 0.00 0.00 175.55 171.29 3gyn s LEU 384 N -2.95 3.95 0.00 -3.49 2.96 -1.26 -0.52 118.68 117.36 3gyn s LEU 384 Ca 0.16 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 3gyn s LEU 384 Cb 0.02 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 3gyn s LEU 384 CO 0.01 0.19 0.16 1.07 -1.32 0.00 0.00 176.35 176.46 3gyn n THR 385 N 3.41 0.00 -3.82 3.68 5.66 -0.54 -4.73 114.28 117.95 3gyn n THR 385 Ca -0.17 -1.90 -0.09 0.00 -3.05 0.00 0.00 64.05 58.85 3gyn n THR 385 Cb 0.52 0.79 -0.03 0.00 -1.55 0.00 0.00 70.33 70.06 3gyn n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gyn s ARG 386 N -3.17 1.57 0.08 1.09 1.70 -1.26 -1.33 118.95 117.63 3gyn s ARG 386 Ca 0.23 -0.97 -0.31 0.00 -0.47 0.00 0.00 55.73 54.21 3gyn s ARG 386 Cb 0.01 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 34.85 3gyn s ARG 386 CO 0.16 -0.69 1.69 0.34 -1.08 0.00 0.00 175.30 175.72 3gyn s ASP 387 N -2.91 6.56 0.00 -2.89 -1.08 -1.26 -4.89 116.67 110.20 3gyn s ASP 387 Ca 0.12 2.55 0.19 0.00 -0.52 0.00 0.00 52.55 54.89 3gyn s ASP 387 Cb -0.03 -2.56 0.90 0.00 -1.46 0.00 0.00 42.92 39.77 3gyn s ASP 387 CO 0.03 -0.91 1.61 -0.81 0.52 0.00 0.00 175.17 175.61 3gyn n PRO 388 N 5.59 1.34 -0.04 4.34 -0.04 -1.26 -4.36 135.00 140.57 3gyn n PRO 388 Ca 0.16 -0.50 -0.09 0.00 -0.04 0.00 0.00 63.50 63.03 3gyn n PRO 388 Cb 0.40 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 3gyn n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3gyn h THR 389 N 1.01 0.81 -0.07 0.52 2.02 -1.95 -0.63 112.91 114.63 3gyn h THR 389 Ca 0.00 -0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3gyn h THR 389 Cb 0.22 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3gyn h THR 389 CO 0.00 0.00 -0.16 0.74 0.37 0.00 0.00 175.52 176.47 3gyn h THR 390 N 0.01 1.42 -0.88 3.16 2.02 -1.95 -0.56 112.91 116.13 3gyn h THR 390 Ca 0.09 -1.49 0.22 0.00 0.77 0.00 0.00 66.41 66.00 3gyn h THR 390 Cb 0.14 2.24 -0.13 0.00 -1.74 0.00 0.00 68.15 68.66 3gyn h THR 390 CO -0.19 0.42 0.35 -0.65 0.37 0.00 0.00 175.52 175.81 3gyn h PRO 391 N -0.27 0.34 0.06 6.66 0.11 -1.81 -0.87 132.00 136.21 3gyn h PRO 391 Ca -0.00 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.82 3gyn h PRO 391 Cb 0.76 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.81 3gyn h PRO 391 CO 0.03 0.22 -1.07 -0.07 -0.21 0.00 0.00 178.00 176.91 3gyn h LEU 392 N 0.35 0.84 -0.67 2.35 3.38 -0.98 -0.41 115.31 120.16 3gyn h LEU 392 Ca 0.55 -0.79 0.11 0.00 0.09 0.00 0.00 57.88 57.85 3gyn h LEU 392 Cb 1.06 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 3gyn h LEU 392 CO -0.55 1.53 0.25 0.00 0.09 0.00 0.00 178.44 179.76 3gyn h ALA 393 N 0.33 0.89 -0.32 1.53 0.00 -0.93 -1.16 119.26 119.59 3gyn h ALA 393 Ca -0.15 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3gyn h ALA 393 Cb 1.75 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 3gyn h ALA 393 CO 0.21 -0.20 -0.39 0.00 0.00 0.00 0.00 179.25 178.87 3gyn h ARG 394 N 0.42 0.83 -0.58 0.00 3.08 -1.11 -2.68 114.38 114.34 3gyn h ARG 394 Ca 0.35 -0.46 0.09 0.00 0.07 0.00 0.00 59.98 60.03 3gyn h ARG 394 Cb 0.49 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 3gyn h ARG 394 CO -0.36 1.10 0.39 0.00 -1.07 0.00 0.00 179.97 180.03 3gyn h ALA 395 N 0.72 1.98 -0.19 0.04 0.00 -0.78 -0.83 119.26 120.19 3gyn h ALA 395 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3gyn h ALA 395 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3gyn h ALA 395 CO 0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 179.25 179.16 3gyn h ALA 396 N 1.70 0.27 -0.34 0.00 0.00 -1.00 -0.87 119.26 119.02 3gyn h ALA 396 Ca 0.26 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3gyn h ALA 396 Cb 0.48 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3gyn h ALA 396 CO -0.07 0.09 0.08 2.35 0.00 0.00 0.00 179.25 181.69 3gyn h TRP 397 N 0.09 0.13 0.00 0.00 2.91 -1.09 -2.69 115.95 115.30 3gyn h TRP 397 Ca 0.04 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.08 3gyn h TRP 397 Cb 0.56 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.20 3gyn h TRP 397 CO 0.06 0.03 0.00 0.93 -1.03 0.00 0.00 178.44 178.43 3gyn h GLU 398 N 0.20 0.00 -0.31 2.65 5.08 -1.06 -0.64 114.58 120.51 3gyn h GLU 398 Ca 0.16 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 3gyn h GLU 398 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3gyn h GLU 398 CO -0.21 0.00 -0.30 1.15 -1.00 0.00 0.00 179.01 178.65 3gyn h THR 399 N 0.00 1.28 0.00 1.13 2.02 -0.80 -3.33 112.91 113.21 3gyn h THR 399 Ca 0.00 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.76 3gyn h THR 399 Cb 0.47 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3gyn h THR 399 CO 0.00 0.46 -1.35 0.00 0.37 0.00 0.00 175.52 174.99 3gyn n ALA 400 N -2.50 3.31 -2.88 6.16 0.00 -0.97 -4.89 120.51 118.74 3gyn n ALA 400 Ca -0.01 -0.44 -0.21 0.00 0.00 0.00 0.00 53.44 52.78 3gyn n ALA 400 Cb 0.46 -0.60 -0.15 0.00 0.00 0.00 0.00 19.45 19.16 3gyn n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gyn s ARG 401 N -2.93 1.11 0.01 0.00 1.81 -0.28 -4.85 118.95 113.82 3gyn s ARG 401 Ca -0.01 -0.40 -0.30 0.00 -1.72 0.00 0.00 55.73 53.30 3gyn s ARG 401 Cb 0.12 -1.02 -0.05 0.00 -0.45 0.00 0.00 34.95 33.54 3gyn s ARG 401 CO 0.70 0.18 1.28 -1.01 -0.68 0.00 0.00 175.30 175.78 3gyn s HIS 402 N 0.02 3.16 0.08 -0.53 3.76 -1.26 -4.30 115.29 116.22 3gyn s HIS 402 Ca -0.01 1.09 0.10 0.00 -0.15 0.00 0.00 55.06 56.09 3gyn s HIS 402 Cb -0.08 -3.52 -0.03 0.00 1.11 0.00 0.00 32.58 30.05 3gyn s HIS 402 CO 0.00 -1.77 -0.25 0.95 -0.85 0.00 0.00 174.74 172.82 3gyn s THR 403 N 1.81 2.08 0.31 1.30 -4.23 -1.26 -5.04 115.64 110.61 3gyn s THR 403 Ca 0.60 -1.51 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 3gyn s THR 403 Cb -0.29 -1.81 0.30 0.00 1.34 0.00 0.00 72.50 72.03 3gyn s THR 403 CO 0.26 0.21 1.82 1.55 -0.54 0.00 0.00 174.62 177.93 3gyn h PRO 404 N 4.41 0.83 -5.27 3.99 0.13 -1.96 -3.41 132.00 130.73 3gyn h PRO 404 Ca -0.48 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 63.93 3gyn h PRO 404 Cb 1.16 -0.19 -0.31 0.00 0.13 0.00 0.00 31.00 31.79 3gyn h PRO 404 CO 0.42 0.55 -0.83 0.08 -0.23 0.00 0.00 178.00 177.98 3gyn s VAL 405 N -5.86 2.42 -0.73 1.56 1.01 -1.26 -4.56 120.40 112.97 3gyn s VAL 405 Ca -0.11 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 3gyn s VAL 405 Cb 0.23 -1.98 0.17 0.00 0.00 0.00 0.00 36.38 34.80 3gyn s VAL 405 CO 0.80 0.54 0.74 0.20 0.00 0.00 0.00 175.10 177.38 3gyn s ASN 406 N 0.56 6.52 0.44 3.32 0.01 0.13 -4.90 114.94 121.03 3gyn s ASN 406 Ca -0.11 -2.20 0.13 0.00 -0.71 0.00 0.00 52.86 49.97 3gyn s ASN 406 Cb -0.16 -2.25 0.98 0.00 0.41 0.00 0.00 41.25 40.23 3gyn s ASN 406 CO 0.04 -0.79 2.00 0.77 -1.51 0.00 0.00 177.10 177.61 3gyn h SER 407 N 8.40 0.09 -0.97 -1.22 4.64 -1.93 -2.20 113.55 120.36 3gyn h SER 407 Ca -0.05 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.31 3gyn h SER 407 Cb 1.06 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.07 3gyn h SER 407 CO 0.92 0.21 0.63 4.11 -0.87 0.00 0.00 176.83 181.83 3gyn h TRP 408 N 0.09 1.17 -0.00 4.77 5.08 -1.90 0.31 115.95 125.47 3gyn h TRP 408 Ca 0.02 0.03 -0.20 0.00 1.08 0.00 0.00 58.89 59.82 3gyn h TRP 408 Cb 0.25 -0.39 0.02 0.00 -3.00 0.00 0.00 29.16 26.04 3gyn h TRP 408 CO 0.00 0.64 -0.77 1.25 -1.28 0.00 0.00 178.44 178.28 3gyn h LEU 409 N 1.17 0.68 -0.57 0.11 5.85 -1.79 -0.70 115.31 120.06 3gyn h LEU 409 Ca 0.40 -0.75 0.04 0.00 0.84 0.00 0.00 57.88 58.41 3gyn h LEU 409 Cb 0.11 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3gyn h LEU 409 CO -0.14 1.34 0.32 1.23 -0.34 0.00 0.00 178.44 180.85 3gyn h GLY 410 N 0.09 0.82 1.04 3.75 0.00 -1.20 -1.80 103.07 105.76 3gyn h GLY 410 Ca -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 3gyn h GLY 410 CO 0.15 0.17 0.30 3.43 0.00 0.00 0.00 176.54 180.59 3gyn h ASN 411 N 0.62 1.04 -0.67 0.19 2.35 -0.31 -0.71 115.58 118.09 3gyn h ASN 411 Ca 0.24 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3gyn h ASN 411 Cb 0.10 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 3gyn h ASN 411 CO -0.14 0.93 0.34 0.40 -1.65 0.00 0.00 177.43 177.32 3gyn h ILE 412 N 1.09 1.22 0.42 2.81 2.04 -0.86 0.17 117.51 124.40 3gyn h ILE 412 Ca 0.25 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 3gyn h ILE 412 Cb 0.21 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3gyn h ILE 412 CO -0.02 0.25 -0.20 0.40 0.00 0.00 0.00 178.15 178.58 3gyn h ILE 413 N 0.92 0.57 -0.05 -0.67 2.04 -1.04 -1.55 117.51 117.73 3gyn h ILE 413 Ca 0.23 -0.34 -0.18 0.00 1.00 0.00 0.00 64.86 65.58 3gyn h ILE 413 Cb 0.08 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3gyn h ILE 413 CO -0.03 0.06 -0.73 0.24 0.00 0.00 0.00 178.15 177.68 3gyn h MET 414 N -0.76 0.30 -0.27 2.37 2.86 -1.11 -3.29 114.93 115.03 3gyn h MET 414 Ca -0.06 -0.25 -0.11 0.00 -2.06 0.00 0.00 59.70 57.22 3gyn h MET 414 Cb 0.53 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.18 3gyn h MET 414 CO 0.09 0.91 -0.09 0.66 1.06 0.00 0.00 176.91 179.54 3gyn n TYR 415 N -3.80 0.87 -0.30 -0.22 4.01 0.61 -4.78 117.16 113.55 3gyn n TYR 415 Ca -0.04 -1.38 0.13 0.00 -0.16 0.00 0.00 57.90 56.46 3gyn n TYR 415 Cb 0.71 -0.40 0.30 0.00 -0.31 0.00 0.00 39.34 39.64 3gyn n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gyn h ALA 416 N 1.09 1.40 0.00 -0.72 0.00 -1.35 -0.35 119.26 119.33 3gyn h ALA 416 Ca 0.14 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3gyn h ALA 416 Cb 1.50 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3gyn h ALA 416 CO 0.29 -0.38 0.00 -2.30 0.00 0.00 0.00 179.25 176.86 3gyn n PRO 417 N -5.09 0.07 -2.42 0.00 -0.02 -1.26 -4.48 135.00 121.79 3gyn n PRO 417 Ca 0.22 0.33 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 3gyn n PRO 417 Cb 0.67 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.48 3gyn n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3gyn s THR 418 N -3.12 3.97 0.25 3.45 -4.23 -0.14 -4.93 115.64 110.89 3gyn s THR 418 Ca 0.05 1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 61.64 3gyn s THR 418 Cb 0.09 -3.49 0.11 0.00 1.34 0.00 0.00 72.50 70.55 3gyn s THR 418 CO 0.29 -0.38 1.75 0.17 -0.54 0.00 0.00 174.62 175.91 3gyn h LEU 419 N 1.21 0.79 -0.27 4.79 8.10 -1.88 -2.87 115.31 125.18 3gyn h LEU 419 Ca -0.48 -0.19 -0.21 0.00 0.11 0.00 0.00 57.88 57.11 3gyn h LEU 419 Cb 1.21 -0.21 0.00 0.00 -0.44 0.00 0.00 40.66 41.22 3gyn h LEU 419 CO 0.59 0.85 -0.78 4.11 -4.11 0.00 0.00 178.44 179.11 3gyn h TRP 420 N 0.77 0.79 -0.29 0.17 5.08 -1.92 -1.93 115.95 118.60 3gyn h TRP 420 Ca 0.15 -0.36 -0.12 0.00 1.08 0.00 0.00 58.89 59.64 3gyn h TRP 420 Cb 0.45 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 26.48 3gyn h TRP 420 CO 0.02 1.15 -0.32 0.00 -1.28 0.00 0.00 178.44 178.01 3gyn h ALA 421 N 0.75 0.88 0.01 0.11 0.00 -1.79 -1.52 119.26 117.70 3gyn h ALA 421 Ca -0.05 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gyn h ALA 421 Cb 1.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gyn h ALA 421 CO 0.15 0.63 -0.00 0.00 0.00 0.00 0.00 179.25 180.02 3gyn h ARG 422 N 0.54 -0.01 -0.08 0.00 3.08 -1.54 -0.64 114.38 115.73 3gyn h ARG 422 Ca 0.06 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.90 3gyn h ARG 422 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3gyn h ARG 422 CO 0.07 0.80 -0.83 0.52 -1.07 0.00 0.00 179.97 179.47 3gyn h MET 423 N -0.87 0.56 0.00 0.04 2.86 -1.44 -3.33 114.93 112.75 3gyn h MET 423 Ca -0.00 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 3gyn h MET 423 Cb 0.82 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.60 3gyn h MET 423 CO 0.00 1.13 -0.66 -0.89 1.06 0.00 0.00 176.91 177.55 3gyn n ILE 424 N -3.85 1.09 0.02 -1.22 5.41 -0.58 -4.24 119.36 115.99 3gyn n ILE 424 Ca -0.07 0.24 -0.12 0.00 1.00 0.00 0.00 62.75 63.81 3gyn n ILE 424 Cb 0.77 -2.06 -0.07 0.00 -0.71 0.00 0.00 39.64 37.57 3gyn n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3gyn h LEU 425 N -0.66 0.04 0.13 1.39 3.38 -1.43 0.28 115.31 118.43 3gyn h LEU 425 Ca 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3gyn h LEU 425 Cb 0.66 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3gyn h LEU 425 CO 0.00 0.06 -0.06 0.24 0.09 0.00 0.00 178.44 178.76 3gyn h MET 426 N 0.01 -0.17 0.06 1.13 2.86 -1.25 -1.80 114.93 115.77 3gyn h MET 426 Ca 0.01 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3gyn h MET 426 Cb 0.03 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 3gyn h MET 426 CO -0.00 -0.11 -0.27 1.15 1.06 0.00 0.00 176.91 178.73 3gyn h THR 427 N -0.18 0.39 0.45 2.22 2.02 -1.64 -1.84 112.91 114.35 3gyn h THR 427 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3gyn h THR 427 Cb 0.14 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3gyn h THR 427 CO 0.03 0.00 -0.27 -0.74 0.37 0.00 0.00 175.52 174.91 3gyn h HIS 428 N -0.46 -0.70 0.00 3.16 6.17 -0.89 -2.28 115.15 120.16 3gyn h HIS 428 Ca 0.05 -0.01 -0.14 0.00 0.71 0.00 0.00 60.37 60.98 3gyn h HIS 428 Cb 0.51 0.25 -0.02 0.00 2.52 0.00 0.00 27.41 30.67 3gyn h HIS 428 CO -0.28 -0.41 -0.67 0.74 0.71 0.00 0.00 177.93 178.02 3gyn h PHE 429 N -0.68 0.00 -0.29 5.26 0.04 -1.36 -2.31 116.94 117.60 3gyn h PHE 429 Ca -0.05 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.59 3gyn h PHE 429 Cb 0.55 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 3gyn h PHE 429 CO -0.08 0.67 -0.33 0.74 -0.60 0.00 0.00 178.31 178.71 3gyn h PHE 430 N 0.00 0.73 -0.41 -0.55 0.04 -1.37 -1.29 116.94 114.09 3gyn h PHE 430 Ca -0.01 -0.19 0.03 0.00 2.80 0.00 0.00 57.97 60.60 3gyn h PHE 430 Cb 1.36 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 39.32 3gyn h PHE 430 CO 0.00 0.88 0.22 1.03 -0.60 0.00 0.00 178.31 179.84 3gyn h SER 431 N 0.53 0.33 -0.50 2.17 0.87 -1.20 -0.01 113.55 115.75 3gyn h SER 431 Ca 0.06 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3gyn h SER 431 Cb 0.82 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 3gyn h SER 431 CO 0.07 0.24 0.31 0.40 -0.53 0.00 0.00 176.83 177.32 3gyn h ILE 432 N 0.44 1.14 -0.02 2.23 2.04 -1.19 -2.52 117.51 119.63 3gyn h ILE 432 Ca 0.17 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 3gyn h ILE 432 Cb 0.06 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3gyn h ILE 432 CO -0.11 0.14 -0.58 -0.07 0.00 0.00 0.00 178.15 177.53 3gyn h LEU 433 N 0.67 0.07 0.21 1.44 3.38 -0.95 -2.61 115.31 117.53 3gyn h LEU 433 Ca 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3gyn h LEU 433 Cb -0.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gyn h LEU 433 CO -0.04 0.64 -0.10 -0.07 0.09 0.00 0.00 178.44 178.96 3gyn h LEU 434 N 0.05 -0.24 -1.50 1.67 3.38 -0.84 0.07 115.31 117.90 3gyn h LEU 434 Ca -0.01 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3gyn h LEU 434 Cb 1.04 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3gyn h LEU 434 CO 0.08 -0.07 0.38 0.00 0.09 0.00 0.00 178.44 178.92 3gyn h ALA 435 N 0.35 1.72 -0.00 1.53 0.00 -1.36 -1.77 119.26 119.72 3gyn h ALA 435 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gyn h ALA 435 Cb 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3gyn h ALA 435 CO 0.05 0.22 -0.44 1.04 0.00 0.00 0.00 179.25 180.12 3gyn n GLN 436 N -4.47 0.40 -3.78 0.00 1.13 -0.99 -4.97 117.38 104.71 3gyn n GLN 436 Ca 0.07 -0.25 -0.23 0.00 -1.94 0.00 0.00 57.00 54.65 3gyn n GLN 436 Cb 0.14 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.02 3gyn n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3gyn n GLU 437 N -1.08 -4.27 -0.06 -1.09 1.02 -0.37 -4.92 120.64 109.88 3gyn n GLU 437 Ca 0.08 0.55 0.09 0.00 -0.02 0.00 0.00 57.16 57.86 3gyn n GLU 437 Cb 0.35 -4.94 0.12 0.00 -0.02 0.00 0.00 31.44 26.94 3gyn n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3gyn n GLN 438 N -4.30 1.53 -0.21 3.49 6.02 -0.13 -4.73 117.38 119.05 3gyn n GLN 438 Ca -0.30 -2.42 0.17 0.00 -0.01 0.00 0.00 57.00 54.44 3gyn n GLN 438 Cb 0.68 -1.42 0.49 0.00 1.02 0.00 0.00 30.24 31.00 3gyn n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3gyn h LEU 439 N 0.00 0.43 -0.53 1.08 3.38 -1.92 -1.58 115.31 116.17 3gyn h LEU 439 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3gyn h LEU 439 Cb 0.93 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3gyn h LEU 439 CO 0.00 0.20 -0.14 1.21 0.09 0.00 0.00 178.44 179.80 3gyn n GLU 440 N -4.50 1.03 -2.93 1.13 2.13 -1.26 -3.53 120.64 112.70 3gyn n GLU 440 Ca 0.17 -0.53 -0.41 0.00 0.66 0.00 0.00 57.16 57.04 3gyn n GLU 440 Cb 0.60 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 30.77 3gyn n GLU 440 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3gyn s LYS 441 N -2.34 4.26 0.27 5.31 2.20 -0.60 -4.94 119.74 123.90 3gyn s LYS 441 Ca 0.30 0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 56.54 3gyn s LYS 441 Cb 0.20 -3.59 -0.10 0.00 -1.51 0.00 0.00 37.83 32.83 3gyn s LYS 441 CO 0.45 -0.35 1.32 0.00 -0.36 0.00 0.00 175.35 176.41 3gyn s ALA 442 N 2.25 3.52 0.07 3.13 0.00 -1.26 -4.47 121.76 125.01 3gyn s ALA 442 Ca 0.36 1.19 0.07 0.00 0.00 0.00 0.00 51.96 53.58 3gyn s ALA 442 Cb -0.16 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 3gyn s ALA 442 CO 0.11 -0.59 -0.19 -0.51 0.00 0.00 0.00 175.76 174.58 3gyn s LEU 443 N -0.95 2.25 0.07 0.00 1.43 0.83 -4.86 118.68 117.45 3gyn s LEU 443 Ca 0.53 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.77 3gyn s LEU 443 Cb -0.38 -0.80 -0.06 0.00 0.03 0.00 0.00 46.19 44.98 3gyn s LEU 443 CO 0.45 0.05 0.80 -1.81 0.23 0.00 0.00 176.35 176.07 3gyn s ASP 444 N -1.61 7.28 0.19 2.29 1.01 -1.26 0.06 116.67 124.63 3gyn s ASP 444 Ca 0.04 1.53 0.01 0.00 0.71 0.00 0.00 52.55 54.85 3gyn s ASP 444 Cb -0.09 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 3gyn s ASP 444 CO 0.03 0.03 0.04 0.00 0.21 0.00 0.00 175.17 175.48 3gyn s GLN 446 N -3.98 3.18 -0.07 0.00 -0.21 -1.26 -0.53 119.66 116.78 3gyn s GLN 446 Ca 0.28 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 54.87 3gyn s GLN 446 Cb 0.07 -2.45 0.02 0.00 1.00 0.00 0.00 33.01 31.65 3gyn s GLN 446 CO 0.06 0.21 -0.04 0.42 -2.12 0.00 0.00 175.29 173.82 3gyn s ILE 447 N 0.31 0.63 -1.50 1.08 1.01 -0.71 -4.78 121.20 117.24 3gyn s ILE 447 Ca -0.14 -0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.26 3gyn s ILE 447 Cb -0.17 -0.69 0.13 0.00 0.01 0.00 0.00 42.46 41.73 3gyn s ILE 447 CO 0.07 0.28 0.66 -1.22 0.00 0.00 0.00 174.94 174.73 3gyn n TYR 448 N 4.60 -1.76 0.00 3.97 4.01 -1.26 -2.03 117.16 124.69 3gyn n TYR 448 Ca -0.16 0.65 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 3gyn n TYR 448 Cb 0.50 -2.85 0.00 0.00 -0.31 0.00 0.00 39.34 36.69 3gyn n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gyn n GLY 449 N -1.27 2.32 3.87 2.72 0.00 -1.26 -0.74 105.19 110.83 3gyn n GLY 449 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3gyn n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyn s ALA 450 N -2.27 3.84 -0.05 4.61 0.00 -0.86 -4.50 121.76 122.53 3gyn s ALA 450 Ca 0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 51.96 51.20 3gyn s ALA 450 Cb 0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 3gyn s ALA 450 CO 0.00 0.61 0.58 0.00 0.00 0.00 0.00 175.76 176.95 3gyn s TYR 452 N 0.28 1.63 -0.20 0.00 2.02 0.31 -0.41 117.35 120.98 3gyn s TYR 452 Ca 0.31 -0.43 -0.19 0.00 -0.37 0.00 0.00 57.07 56.39 3gyn s TYR 452 Cb -0.17 -1.09 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 3gyn s TYR 452 CO 0.15 -0.13 0.57 0.45 -1.57 0.00 0.00 175.55 175.02 3gyn s SER 453 N -0.06 6.61 -0.04 2.29 0.15 -1.26 -0.69 113.70 120.70 3gyn s SER 453 Ca -0.01 0.73 0.03 0.00 0.70 0.00 0.00 55.95 57.40 3gyn s SER 453 Cb -0.10 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 3gyn s SER 453 CO 0.01 -0.23 -0.12 -0.63 1.20 0.00 0.00 173.24 173.47 3gyn s ILE 454 N 1.81 1.04 -0.22 6.45 -1.09 0.11 -4.90 121.20 124.41 3gyn s ILE 454 Ca 0.26 -0.48 -0.22 0.00 -2.23 0.00 0.00 60.65 57.98 3gyn s ILE 454 Cb -0.16 -0.93 -0.02 0.00 -1.58 0.00 0.00 42.46 39.78 3gyn s ILE 454 CO 0.10 0.32 0.71 -1.61 -1.23 0.00 0.00 174.94 173.23 3gyn s GLU 455 N 0.30 4.19 0.48 2.79 2.02 -1.26 -0.12 118.70 127.10 3gyn s GLU 455 Ca -0.07 0.74 0.23 0.00 0.02 0.00 0.00 54.97 55.90 3gyn s GLU 455 Cb -0.11 -3.61 1.27 0.00 0.10 0.00 0.00 34.13 31.77 3gyn s GLU 455 CO 0.02 -0.37 1.90 -1.35 0.02 0.00 0.00 175.26 175.48 3gyn h PRO 456 N 7.62 0.19 0.00 0.39 0.11 -1.78 0.32 132.00 138.85 3gyn h PRO 456 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3gyn h PRO 456 Cb 1.12 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gyn h PRO 456 CO 0.81 0.12 0.00 -0.07 -0.21 0.00 0.00 178.00 178.65 3gyn h LEU 457 N 0.19 0.00 -0.10 2.35 3.38 -1.93 -2.51 115.31 116.69 3gyn h LEU 457 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3gyn h LEU 457 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3gyn h LEU 457 CO -0.08 0.00 -0.21 0.47 0.09 0.00 0.00 178.44 178.71 3gyn n ASP 458 N -2.75 0.37 -0.23 -0.43 10.43 0.10 -4.40 116.55 119.64 3gyn n ASP 458 Ca 0.00 -0.17 0.03 0.00 2.57 0.00 0.00 54.79 57.23 3gyn n ASP 458 Cb 0.23 -0.09 0.15 0.00 1.84 0.00 0.00 41.12 43.26 3gyn n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3gyn h LEU 459 N 0.25 -0.02 -0.67 0.64 3.38 -1.52 -1.55 115.31 115.83 3gyn h LEU 459 Ca 0.00 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3gyn h LEU 459 Cb 0.45 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 3gyn h LEU 459 CO 0.00 -0.03 0.32 -0.65 0.09 0.00 0.00 178.44 178.17 3gyn h PRO 460 N 0.25 0.54 -0.42 1.13 0.11 -1.83 0.86 132.00 132.64 3gyn h PRO 460 Ca 0.37 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.34 3gyn h PRO 460 Cb 0.61 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3gyn h PRO 460 CO -0.48 0.36 -0.16 1.96 -0.21 0.00 0.00 178.00 179.47 3gyn h GLN 461 N 0.56 0.86 0.01 1.05 7.50 -1.69 -1.28 115.11 122.11 3gyn h GLN 461 Ca 0.32 -0.36 0.02 0.00 0.50 0.00 0.00 58.65 59.14 3gyn h GLN 461 Cb 0.33 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.80 3gyn h GLN 461 CO -0.26 1.00 -0.12 0.82 -1.50 0.00 0.00 178.83 178.77 3gyn h ILE 462 N 0.68 0.71 -0.68 2.54 2.04 -0.86 -1.44 117.51 120.50 3gyn h ILE 462 Ca 0.10 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 3gyn h ILE 462 Cb 0.71 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 3gyn h ILE 462 CO 0.05 0.00 0.25 0.40 0.00 0.00 0.00 178.15 178.86 3gyn h ILE 463 N -0.21 1.25 -0.81 -0.67 2.04 -0.79 -0.90 117.51 117.42 3gyn h ILE 463 Ca 0.04 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3gyn h ILE 463 Cb 0.25 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3gyn h ILE 463 CO -0.11 0.31 0.49 -0.08 0.00 0.00 0.00 178.15 178.76 3gyn h GLU 464 N 0.97 1.11 -0.15 2.37 4.81 -1.14 0.23 114.58 122.78 3gyn h GLU 464 Ca 0.22 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3gyn h GLU 464 Cb 0.24 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3gyn h GLU 464 CO -0.02 0.78 -0.11 0.00 -0.73 0.00 0.00 179.01 178.93 3gyn h ARG 465 N 1.12 0.34 0.07 1.92 2.47 -0.83 0.68 114.38 120.14 3gyn h ARG 465 Ca 0.29 -0.17 -0.26 0.00 -1.26 0.00 0.00 59.98 58.58 3gyn h ARG 465 Cb -0.04 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.30 3gyn h ARG 465 CO -0.05 0.70 -1.12 -0.07 0.56 0.00 0.00 179.97 179.99 3gyn h LEU 466 N -0.01 0.63 0.00 3.04 3.38 -1.13 -3.39 115.31 117.84 3gyn h LEU 466 Ca 0.03 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 3gyn h LEU 466 Cb 0.62 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3gyn h LEU 466 CO 0.03 1.39 -1.38 1.41 0.09 0.00 0.00 178.44 179.98 3gyn n HIS 467 N -3.71 0.00 0.00 1.13 8.25 0.06 -4.66 115.22 116.28 3gyn n HIS 467 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3gyn n HIS 467 Cb 0.93 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.83 3gyn n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gyn n GLY 468 N 2.16 -0.35 0.09 -1.41 0.00 0.23 -4.53 105.19 101.38 3gyn n GLY 468 Ca -0.03 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.37 3gyn n GLY 468 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gyn n LEU 469 N -1.11 0.31 -0.31 0.99 4.77 -1.26 -2.20 117.00 118.19 3gyn n LEU 469 Ca 0.00 0.62 0.05 0.00 -0.03 0.00 0.00 56.01 56.65 3gyn n LEU 469 Cb 0.00 -0.65 0.25 0.00 -2.33 0.00 0.00 43.42 40.68 3gyn n LEU 469 CO 0.00 -0.73 1.25 -1.28 -1.33 0.00 0.00 177.39 175.30 3gyn h SER 470 N 0.00 0.90 0.02 -1.43 0.87 -1.94 -2.86 113.55 109.11 3gyn h SER 470 Ca 0.00 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3gyn h SER 470 Cb 0.08 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3gyn h SER 470 CO 0.00 0.56 -0.00 0.00 -0.53 0.00 0.00 176.83 176.86 3gyn h ALA 471 N 1.52 1.22 -0.02 6.23 0.00 -1.68 -0.31 119.26 126.22 3gyn h ALA 471 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3gyn h ALA 471 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gyn h ALA 471 CO -0.16 0.00 -0.01 1.19 0.00 0.00 0.00 179.25 180.28 3gyn n PHE 472 N -3.40 0.00 -0.52 0.00 3.72 -1.08 -4.30 117.46 111.88 3gyn n PHE 472 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3gyn n PHE 472 Cb 0.08 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3gyn n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3gyn n SER 473 N 0.19 0.65 -4.75 4.37 7.64 -0.15 -4.52 113.62 117.04 3gyn n SER 473 Ca 0.19 -1.17 -0.41 0.00 1.01 0.00 0.00 58.87 58.49 3gyn n SER 473 Cb 0.36 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.54 3gyn n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gyn s LEU 474 N -0.17 4.38 0.29 -3.43 1.43 -1.05 -4.05 118.68 116.08 3gyn s LEU 474 Ca 0.00 2.74 -0.06 0.00 -1.03 0.00 0.00 54.13 55.78 3gyn s LEU 474 Cb 0.00 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 3gyn s LEU 474 CO 0.00 -0.70 0.43 -1.38 0.23 0.00 0.00 176.35 174.92 3gyn s HIS 475 N -0.37 0.80 -1.17 0.29 -3.43 0.51 -4.94 115.29 106.99 3gyn s HIS 475 Ca 0.57 -1.09 -0.08 0.00 -0.80 0.00 0.00 55.06 53.66 3gyn s HIS 475 Cb -0.42 -0.04 -0.03 0.00 -1.43 0.00 0.00 32.58 30.66 3gyn s HIS 475 CO 0.48 -1.01 0.83 0.43 -2.00 0.00 0.00 174.74 173.46 3gyn n SER 476 N -0.85 -4.21 -4.58 7.38 7.64 -1.26 -0.40 113.62 117.34 3gyn n SER 476 Ca 0.00 -0.82 -0.29 0.00 1.01 0.00 0.00 58.87 58.77 3gyn n SER 476 Cb 0.62 -4.34 0.21 0.00 -1.01 0.00 0.00 64.21 59.69 3gyn n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3gyn s TYR 477 N -3.49 1.66 0.53 1.43 2.02 -1.26 -4.25 117.35 113.98 3gyn s TYR 477 Ca 0.29 1.26 -0.16 0.00 -0.37 0.00 0.00 57.07 58.08 3gyn s TYR 477 Cb -0.07 -3.17 -0.07 0.00 -0.40 0.00 0.00 41.96 38.25 3gyn s TYR 477 CO 0.79 -3.33 0.99 -1.54 -1.57 0.00 0.00 175.55 170.89 3gyn s SER 478 N -2.83 6.55 0.24 2.29 1.04 -1.20 -4.88 113.70 114.90 3gyn s SER 478 Ca 0.67 1.58 -0.06 0.00 0.48 0.00 0.00 55.95 58.62 3gyn s SER 478 Cb -0.22 -2.51 0.32 0.00 0.10 0.00 0.00 66.02 63.70 3gyn s SER 478 CO 0.61 -0.64 1.85 -0.65 0.98 0.00 0.00 173.24 175.39 3gyn h PRO 479 N 0.81 0.94 -0.61 4.02 0.11 -1.95 -0.13 132.00 135.20 3gyn h PRO 479 Ca -0.47 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3gyn h PRO 479 Cb 1.19 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3gyn h PRO 479 CO 0.61 0.62 0.22 0.78 -0.21 0.00 0.00 178.00 180.03 3gyn h GLY 480 N 0.97 0.99 0.67 -0.55 0.00 -1.99 -0.26 103.07 102.90 3gyn h GLY 480 Ca 0.36 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3gyn h GLY 480 CO -0.16 0.53 -0.02 -2.09 0.00 0.00 0.00 176.54 174.79 3gyn h GLU 481 N 0.85 -0.07 -0.67 4.80 4.57 -1.89 -1.44 114.58 120.73 3gyn h GLU 481 Ca 0.20 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.47 3gyn h GLU 481 Cb 0.24 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.78 3gyn h GLU 481 CO -0.01 0.26 0.33 0.82 -1.18 0.00 0.00 179.01 179.23 3gyn h ILE 482 N -0.40 0.87 -0.74 2.32 2.04 -1.00 -1.82 117.51 118.77 3gyn h ILE 482 Ca -0.01 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 3gyn h ILE 482 Cb 0.36 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3gyn h ILE 482 CO 0.01 0.11 0.27 0.78 0.00 0.00 0.00 178.15 179.32 3gyn h ASN 483 N 0.58 1.05 -0.40 1.72 2.35 -0.99 -0.81 115.58 119.08 3gyn h ASN 483 Ca 0.32 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3gyn h ASN 483 Cb 0.31 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3gyn h ASN 483 CO -0.25 0.95 0.13 -0.09 -1.65 0.00 0.00 177.43 176.53 3gyn h ARG 484 N 1.08 0.61 0.21 0.81 2.43 -0.87 0.71 114.38 119.36 3gyn h ARG 484 Ca 0.24 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3gyn h ARG 484 Cb 0.25 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3gyn h ARG 484 CO -0.01 0.61 -0.10 0.28 -1.51 0.00 0.00 179.97 179.24 3gyn h VAL 485 N 0.50 0.85 -0.48 0.20 2.07 -1.27 -1.23 116.25 116.88 3gyn h VAL 485 Ca 0.13 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.40 3gyn h VAL 485 Cb 0.25 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 3gyn h VAL 485 CO -0.00 0.07 0.16 0.00 0.02 0.00 0.00 177.57 177.81 3gyn h ALA 486 N 0.32 0.58 -0.83 1.67 0.00 -1.08 -1.19 119.26 118.73 3gyn h ALA 486 Ca -0.03 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3gyn h ALA 486 Cb 0.33 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3gyn h ALA 486 CO 0.05 -0.24 0.51 1.03 0.00 0.00 0.00 179.25 180.60 3gyn h SER 487 N 0.32 0.80 -0.81 0.00 0.87 -0.81 -2.35 113.55 111.58 3gyn h SER 487 Ca 0.23 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 3gyn h SER 487 Cb 0.26 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 3gyn h SER 487 CO -0.25 0.52 0.36 0.00 -0.53 0.00 0.00 176.83 176.93 3gyn h LEU 489 N 1.17 0.40 -0.53 0.00 3.38 -0.80 -1.96 115.31 116.96 3gyn h LEU 489 Ca 0.28 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3gyn h LEU 489 Cb 0.16 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3gyn h LEU 489 CO -0.03 0.77 -0.07 0.03 0.09 0.00 0.00 178.44 179.23 3gyn h ARG 490 N 0.32 0.99 -0.04 1.13 3.08 -1.23 0.26 114.38 118.88 3gyn h ARG 490 Ca 0.03 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 3gyn h ARG 490 Cb 0.86 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 3gyn h ARG 490 CO 0.07 1.03 0.02 -0.22 -1.07 0.00 0.00 179.97 179.80 3gyn h LYS 491 N 0.86 0.06 -0.00 0.04 3.64 -1.18 -3.09 116.57 116.89 3gyn h LYS 491 Ca 0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3gyn h LYS 491 Cb 0.63 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3gyn h LYS 491 CO 0.04 0.18 -0.32 1.28 -2.27 0.00 0.00 179.45 178.36 3gyn n LEU 492 N -4.99 0.34 -1.95 5.20 4.77 -0.76 -4.86 117.00 114.75 3gyn n LEU 492 Ca -0.07 0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 55.96 3gyn n LEU 492 Cb 0.10 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.89 3gyn n LEU 492 CO 0.33 0.08 0.08 0.61 -1.33 0.00 0.00 177.39 177.17 3gyn n GLY 493 N 1.49 0.14 3.75 -0.72 0.00 0.09 -1.69 105.19 108.25 3gyn n GLY 493 Ca 0.06 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 3gyn n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyn s VAL 494 N -3.06 4.35 0.47 1.61 1.01 0.68 -1.45 120.40 124.02 3gyn s VAL 494 Ca 0.25 1.95 -0.21 0.00 0.00 0.00 0.00 61.98 63.97 3gyn s VAL 494 Cb -0.11 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.90 3gyn s VAL 494 CO 0.31 0.43 0.60 -2.65 0.00 0.00 0.00 175.10 173.79 3gyn n PRO 495 N 2.10 0.65 -1.77 2.72 -0.02 -1.26 -4.64 135.00 132.78 3gyn n PRO 495 Ca -0.01 0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 61.37 3gyn n PRO 495 Cb 0.48 -1.64 0.05 0.00 -0.02 0.00 0.00 33.50 32.37 3gyn n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gyn s PRO 496 N -1.80 2.74 0.44 0.52 0.04 -1.26 -4.86 135.00 130.81 3gyn s PRO 496 Ca 0.65 1.54 0.26 0.00 0.04 0.00 0.00 61.00 63.49 3gyn s PRO 496 Cb -0.54 -1.93 1.42 0.00 0.04 0.00 0.00 34.50 33.49 3gyn s PRO 496 CO 0.57 -1.33 1.78 -0.07 0.04 0.00 0.00 177.00 177.99 3gyn h LEU 497 N 0.19 0.00 -0.72 -3.56 3.38 -2.00 0.69 115.31 113.29 3gyn h LEU 497 Ca -0.48 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.37 3gyn h LEU 497 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3gyn h LEU 497 CO 0.53 0.00 -0.38 0.08 0.09 0.00 0.00 178.44 178.76 3gyn h ARG 498 N 0.00 0.54 -0.46 1.13 0.11 -2.00 -2.27 114.38 111.43 3gyn h ARG 498 Ca 0.00 -0.26 -0.13 0.00 0.10 0.00 0.00 59.98 59.68 3gyn h ARG 498 Cb 0.18 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 3gyn h ARG 498 CO 0.00 0.84 -0.23 0.28 0.10 0.00 0.00 179.97 180.96 3gyn h VAL 499 N 0.45 1.27 -0.61 0.08 2.07 -1.20 -2.96 116.25 115.34 3gyn h VAL 499 Ca 0.04 -1.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 3gyn h VAL 499 Cb 0.87 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3gyn h VAL 499 CO 0.07 0.48 0.07 -0.50 0.02 0.00 0.00 177.57 177.71 3gyn h TRP 500 N 0.81 1.09 -0.57 1.57 4.06 -1.49 -0.40 115.95 121.02 3gyn h TRP 500 Ca 0.10 -0.15 0.03 0.00 2.06 0.00 0.00 58.89 60.92 3gyn h TRP 500 Cb 0.81 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 28.64 3gyn h TRP 500 CO 0.06 0.93 0.35 -0.09 -3.56 0.00 0.00 178.44 176.13 3gyn h ARG 501 N 0.95 0.67 0.04 0.49 2.43 -1.43 0.18 114.38 117.70 3gyn h ARG 501 Ca 0.19 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3gyn h ARG 501 Cb 0.45 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3gyn h ARG 501 CO 0.02 0.44 -0.02 1.25 -1.51 0.00 0.00 179.97 180.15 3gyn h HIS 502 N 0.69 -0.04 -0.74 2.20 2.76 -1.27 -1.85 115.15 116.89 3gyn h HIS 502 Ca 0.23 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.47 3gyn h HIS 502 Cb 0.02 0.01 -0.06 0.00 1.55 0.00 0.00 27.41 28.93 3gyn h HIS 502 CO -0.06 0.02 0.42 0.00 -1.30 0.00 0.00 177.93 177.02 3gyn h ARG 503 N -0.10 0.74 -0.36 5.26 3.08 -0.92 -2.52 114.38 119.56 3gyn h ARG 503 Ca -0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3gyn h ARG 503 Cb 0.09 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3gyn h ARG 503 CO 0.01 0.49 -0.01 0.00 -1.07 0.00 0.00 179.97 179.38 3gyn h ALA 504 N 1.39 1.31 -0.77 0.04 0.00 -0.36 0.43 119.26 121.30 3gyn h ALA 504 Ca 0.34 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gyn h ALA 504 Cb 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3gyn h ALA 504 CO -0.20 0.47 0.50 0.00 0.00 0.00 0.00 179.25 180.02 3gyn h ARG 505 N 0.54 0.99 0.03 0.00 3.08 -0.90 0.31 114.38 118.43 3gyn h ARG 505 Ca 0.11 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3gyn h ARG 505 Cb 0.36 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3gyn h ARG 505 CO 0.01 0.65 -0.01 1.03 -1.07 0.00 0.00 179.97 180.58 3gyn h SER 506 N 1.02 -0.03 -0.61 7.04 0.87 -1.25 -2.25 113.55 118.34 3gyn h SER 506 Ca 0.29 -0.38 0.07 0.00 -1.23 0.00 0.00 61.79 60.55 3gyn h SER 506 Cb -0.09 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.82 3gyn h SER 506 CO -0.07 0.36 0.28 0.58 -0.53 0.00 0.00 176.83 177.45 3gyn h VAL 507 N -0.44 0.87 0.08 2.23 2.07 -0.68 -1.55 116.25 118.82 3gyn h VAL 507 Ca -0.00 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3gyn h VAL 507 Cb 0.41 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3gyn h VAL 507 CO 0.01 0.09 -0.15 -0.09 0.02 0.00 0.00 177.57 177.45 3gyn h ARG 508 N 0.51 -0.28 -0.60 1.57 2.43 -0.39 -1.95 114.38 115.67 3gyn h ARG 508 Ca 0.29 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.50 3gyn h ARG 508 Cb 0.28 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 3gyn h ARG 508 CO -0.24 -0.18 0.37 0.00 -1.51 0.00 0.00 179.97 178.41 3gyn h ALA 509 N 0.59 0.78 -0.53 2.80 0.00 -0.96 -0.87 119.26 121.06 3gyn h ALA 509 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3gyn h ALA 509 Cb 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3gyn h ALA 509 CO -0.09 0.11 0.28 0.00 0.00 0.00 0.00 179.25 179.56 3gyn h ARG 510 N 0.73 0.75 -0.11 0.00 3.08 -1.20 -1.57 114.38 116.06 3gyn h ARG 510 Ca 0.24 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3gyn h ARG 510 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3gyn h ARG 510 CO -0.10 0.59 0.06 -0.07 -1.07 0.00 0.00 179.97 179.38 3gyn h LEU 511 N 0.71 0.13 -1.21 3.04 3.38 -0.98 -2.97 115.31 117.41 3gyn h LEU 511 Ca 0.19 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3gyn h LEU 511 Cb 0.07 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3gyn h LEU 511 CO -0.03 0.17 0.55 -0.07 0.09 0.00 0.00 178.44 179.15 3gyn h LEU 512 N 0.09 0.86 0.00 1.67 3.38 -1.00 -2.06 115.31 118.26 3gyn h LEU 512 Ca 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3gyn h LEU 512 Cb 0.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3gyn h LEU 512 CO -0.01 0.57 0.00 -1.20 0.09 0.00 0.00 178.44 177.90 3gyn n SER 513 N -4.47 0.00 -0.13 -0.43 7.64 -0.61 -2.15 113.62 113.48 3gyn n SER 513 Ca 0.12 -0.14 0.07 0.00 1.01 0.00 0.00 58.87 59.92 3gyn n SER 513 Cb 0.16 -0.18 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 3gyn n SER 513 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gyn n GLN 514 N -1.18 2.28 -0.03 1.43 6.02 -0.80 -5.09 117.38 120.00 3gyn n GLN 514 Ca 0.09 -0.30 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 3gyn n GLN 514 Cb 0.10 -1.16 -0.00 0.00 1.02 0.00 0.00 30.24 30.20 3gyn n GLN 514 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gyn n GLY 515 N 1.21 -1.00 7.00 1.08 0.00 -0.91 -4.81 105.19 107.76 3gyn n GLY 515 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3gyn n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyn n GLY 516 N -0.10 2.55 0.28 -0.02 0.00 -1.26 -2.24 105.19 104.40 3gyn n GLY 516 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.73 3gyn n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gyn h ARG 517 N 0.00 0.51 -0.21 1.61 3.08 -1.93 -2.61 114.38 114.83 3gyn h ARG 517 Ca 0.00 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3gyn h ARG 517 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3gyn h ARG 517 CO 0.00 0.48 0.12 0.00 -1.07 0.00 0.00 179.97 179.50 3gyn h ALA 518 N 1.59 0.27 -0.26 0.04 0.00 -1.77 -1.64 119.26 117.48 3gyn h ALA 518 Ca 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3gyn h ALA 518 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3gyn h ALA 518 CO -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 179.25 178.99 3gyn h ALA 519 N 1.03 1.44 -0.75 0.00 0.00 -1.11 -0.99 119.26 118.88 3gyn h ALA 519 Ca 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3gyn h ALA 519 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3gyn h ALA 519 CO -0.01 0.39 0.26 1.15 0.00 0.00 0.00 179.25 181.03 3gyn h THR 520 N 0.39 1.26 -0.32 0.00 2.02 -1.12 0.95 112.91 116.10 3gyn h THR 520 Ca 0.08 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 3gyn h THR 520 Cb 0.33 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3gyn h THR 520 CO 0.01 0.35 0.17 0.00 0.37 0.00 0.00 175.52 176.42 3gyn h GLY 522 N 0.39 -0.08 0.97 0.00 0.00 -0.86 -1.57 103.07 101.93 3gyn h GLY 522 Ca 0.11 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 3gyn h GLY 522 CO -0.02 -0.13 -0.07 1.70 0.00 0.00 0.00 176.54 178.02 3gyn h LYS 523 N -0.17 -0.19 0.00 4.80 3.64 -0.74 -2.75 116.57 121.16 3gyn h LYS 523 Ca 0.07 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 3gyn h LYS 523 Cb 0.27 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3gyn h LYS 523 CO -0.19 -0.10 -0.68 1.88 -2.27 0.00 0.00 179.45 178.10 3gyn h TYR 524 N -0.23 0.00 -0.20 1.91 0.05 -1.46 -3.10 116.97 113.93 3gyn h TYR 524 Ca -0.02 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 3gyn h TYR 524 Cb 0.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 3gyn h TYR 524 CO -0.06 1.23 -0.20 -0.07 -1.05 0.00 0.00 178.16 178.02 3gyn h LEU 525 N -1.00 0.35 -3.08 3.88 3.38 -1.43 -3.26 115.31 114.14 3gyn h LEU 525 Ca -0.19 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3gyn h LEU 525 Cb 1.14 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3gyn h LEU 525 CO -0.11 0.56 0.00 0.49 0.09 0.00 0.00 178.44 179.47 3gyn n PHE 526 N -4.18 0.33 0.28 1.13 3.72 -1.03 -4.62 117.46 113.09 3gyn n PHE 526 Ca -0.00 -0.91 0.14 0.00 -0.05 0.00 0.00 57.45 56.63 3gyn n PHE 526 Cb 0.34 -0.20 0.85 0.00 -0.94 0.00 0.00 39.48 39.54 3gyn n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3gyn h ASN 527 N 0.68 0.00 0.29 4.37 -1.24 -1.58 -1.95 115.58 116.14 3gyn h ASN 527 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 3gyn h ASN 527 Cb 1.11 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.15 3gyn h ASN 527 CO 0.08 0.05 -0.18 4.11 -1.29 0.00 0.00 177.43 180.20 3gyn h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.82 -3.23 115.95 116.65 3gyn h TRP 528 Ca -0.00 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.87 3gyn h TRP 528 Cb 0.15 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.30 3gyn h TRP 528 CO 0.00 0.18 -0.49 0.00 -1.28 0.00 0.00 178.44 176.85 3gyn h ALA 529 N 1.82 1.05 -2.63 0.11 0.00 -1.71 -3.45 119.26 114.46 3gyn h ALA 529 Ca -0.00 -0.45 -0.56 0.00 0.00 0.00 0.00 54.91 53.90 3gyn h ALA 529 Cb 0.37 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3gyn h ALA 529 CO 0.02 0.61 -0.27 0.14 0.00 0.00 0.00 179.25 179.76 3gyn s VAL 530 N -3.71 5.13 0.07 0.00 -7.23 -1.22 -4.85 120.40 108.58 3gyn s VAL 530 Ca -0.01 0.02 -0.16 0.00 -1.81 0.00 0.00 61.98 60.02 3gyn s VAL 530 Cb 0.12 -3.66 -0.17 0.00 0.56 0.00 0.00 36.38 33.24 3gyn s VAL 530 CO 0.73 -0.06 1.26 0.11 -0.31 0.00 0.00 175.10 176.83 3gyn h LYS 531 N 2.50 0.65 -3.53 4.82 1.57 -1.89 -3.38 116.57 117.31 3gyn h LYS 531 Ca -0.47 -0.53 -0.77 0.00 -1.87 0.00 0.00 60.65 57.02 3gyn h LYS 531 Cb 1.17 0.11 -0.30 0.00 0.08 0.00 0.00 32.23 33.29 3gyn h LYS 531 CO 0.71 1.15 0.24 -0.08 -0.57 0.00 0.00 179.45 180.89 3gyn s THR 532 N -3.71 5.44 0.60 -0.16 -1.32 -1.26 -5.06 115.64 110.17 3gyn s THR 532 Ca -0.12 -3.43 -0.17 0.00 -1.21 0.00 0.00 61.69 56.76 3gyn s THR 532 Cb 0.07 -4.31 -0.03 0.00 -1.51 0.00 0.00 72.50 66.73 3gyn s THR 532 CO 0.86 -1.13 1.12 -0.54 -2.21 0.00 0.00 174.62 172.73 3gyn s LYS 533 N -1.09 3.05 0.26 7.08 1.02 -1.26 -5.03 119.74 123.78 3gyn s LYS 533 Ca 0.28 1.52 -0.12 0.00 0.02 0.00 0.00 55.97 57.67 3gyn s LYS 533 Cb -0.10 -1.97 -0.08 0.00 -0.52 0.00 0.00 37.83 35.16 3gyn s LYS 533 CO -0.09 -1.07 0.63 -0.51 -0.92 0.00 0.00 175.35 173.38 3gyn s LEU 534 N -4.34 4.13 -0.01 3.17 1.02 -1.26 -5.04 118.68 116.35 3gyn s LEU 534 Ca 0.70 1.08 -0.30 0.00 0.02 0.00 0.00 54.13 55.63 3gyn s LEU 534 Cb -0.23 -3.83 -0.05 0.00 0.02 0.00 0.00 46.19 42.11 3gyn s LEU 534 CO 0.34 -0.12 1.31 -0.75 0.02 0.00 0.00 176.35 177.16 3gyn s LYS 535 N -2.84 4.32 -0.25 1.70 2.47 -1.26 -5.00 119.74 118.89 3gyn s LYS 535 Ca 0.50 1.85 -0.07 0.00 -1.56 0.00 0.00 55.97 56.69 3gyn s LYS 535 Cb -0.11 -3.53 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 3gyn s LYS 535 CO 0.20 -0.50 0.06 -0.51 0.16 0.00 0.00 175.35 174.76 3gyn s LEU 536 N 2.16 3.42 0.28 5.43 1.43 -1.26 -5.09 118.68 125.06 3gyn s LEU 536 Ca 0.61 -0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.57 3gyn s LEU 536 Cb -0.29 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 3gyn s LEU 536 CO 0.25 -0.04 0.01 0.42 0.23 0.00 0.00 176.35 177.22 3gyn s THR 537 N 1.61 3.28 0.10 5.49 -4.23 -1.26 -5.07 115.64 115.55 3gyn s THR 537 Ca 0.06 -1.92 -0.35 0.00 -1.18 0.00 0.00 61.69 58.31 3gyn s THR 537 Cb -0.15 -2.83 -0.14 0.00 1.34 0.00 0.00 72.50 70.71 3gyn s THR 537 CO 0.03 -0.34 1.55 -2.65 -0.54 0.00 0.00 174.62 172.68 3gyn n PRO 538 N -0.92 1.87 -2.37 3.99 -0.02 -1.26 -4.93 135.00 131.36 3gyn n PRO 538 Ca -0.06 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3gyn n PRO 538 Cb 0.60 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 3gyn n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gyn s ILE 539 N 1.20 4.09 0.31 4.25 1.01 -1.26 -4.95 121.20 125.86 3gyn s ILE 539 Ca 0.82 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.89 3gyn s ILE 539 Cb -0.76 -3.91 0.27 0.00 0.01 0.00 0.00 42.46 38.07 3gyn s ILE 539 CO 0.42 -0.03 1.95 -0.65 0.00 0.00 0.00 174.94 176.64 3gyn h PRO 540 N 7.76 0.99 -0.04 2.79 0.11 -2.04 -2.66 132.00 138.92 3gyn h PRO 540 Ca -0.34 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3gyn h PRO 540 Cb 1.16 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3gyn h PRO 540 CO 0.90 0.66 0.00 0.00 -0.21 0.00 0.00 178.00 179.35 3gyn n ALA 541 N -2.41 2.56 0.04 -0.75 0.00 -1.26 -3.98 120.51 114.71 3gyn n ALA 541 Ca 0.11 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 3gyn n ALA 541 Cb 0.11 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 3gyn n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gyn h ALA 542 N 3.47 0.42 -0.34 0.00 0.00 -1.82 -3.31 119.26 117.68 3gyn h ALA 542 Ca 0.00 -0.65 -0.34 0.00 0.00 0.00 0.00 54.91 53.91 3gyn h ALA 542 Cb 0.08 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.72 3gyn h ALA 542 CO 0.00 0.76 0.17 0.43 0.00 0.00 0.00 179.25 180.61 3gyn n SER 543 N -3.82 6.07 0.00 0.00 7.64 -1.26 -4.03 113.62 118.23 3gyn n SER 543 Ca -0.06 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.89 3gyn n SER 543 Cb 0.78 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 3gyn n SER 543 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gyn n GLN 544 N 1.22 0.00 -2.37 1.43 1.13 -1.25 -5.08 117.38 112.47 3gyn n GLN 544 Ca 0.39 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 55.04 3gyn n GLN 544 Cb 0.64 -0.59 -0.03 0.00 0.11 0.00 0.00 30.24 30.37 3gyn n GLN 544 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3gyn s LEU 545 N -3.96 4.44 -1.07 1.08 1.43 -1.26 -4.94 118.68 114.41 3gyn s LEU 545 Ca 0.00 2.23 -0.22 0.00 -1.03 0.00 0.00 54.13 55.10 3gyn s LEU 545 Cb 0.00 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.66 3gyn s LEU 545 CO 0.00 -0.39 1.57 -0.62 0.23 0.00 0.00 176.35 177.13 3gyn s ASP 546 N 0.24 6.39 -0.02 2.29 3.68 -1.26 -4.79 116.67 123.19 3gyn s ASP 546 Ca 0.54 -1.57 0.05 0.00 2.13 0.00 0.00 52.55 53.70 3gyn s ASP 546 Cb -0.33 -2.57 0.17 0.00 -1.45 0.00 0.00 42.92 38.75 3gyn s ASP 546 CO 0.36 -1.61 1.01 0.18 0.13 0.00 0.00 175.17 175.24 3gyn n LEU 547 N 9.44 1.41 -4.72 -1.34 4.77 -1.26 -4.85 117.00 120.44 3gyn n LEU 547 Ca 0.37 -0.71 -0.42 0.00 -0.03 0.00 0.00 56.01 55.22 3gyn n LEU 547 Cb 0.50 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3gyn n LEU 547 CO 0.67 0.28 0.95 -0.94 -1.33 0.00 0.00 177.39 177.02 3gyn s SER 548 N -0.70 6.98 0.00 -1.43 1.04 -1.26 -2.78 113.70 115.56 3gyn s SER 548 Ca 0.12 2.22 0.00 0.00 0.48 0.00 0.00 55.95 58.78 3gyn s SER 548 Cb 0.08 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3gyn s SER 548 CO 0.07 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.40 3gyn n GLY 549 N 2.86 1.57 0.08 7.32 0.00 -1.26 -4.98 105.19 110.79 3gyn n GLY 549 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 3gyn n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3gyn h TRP 550 N 0.00 -0.08 -2.20 1.61 4.06 -1.88 -3.34 115.95 114.12 3gyn h TRP 550 Ca 0.00 -0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 3gyn h TRP 550 Cb 0.00 0.03 -0.42 0.00 -1.00 0.00 0.00 29.16 27.77 3gyn h TRP 550 CO 0.00 0.26 -0.68 1.19 -3.56 0.00 0.00 178.44 175.65 3gyn n PHE 551 N -4.97 3.31 -0.07 0.49 3.72 -1.26 -4.77 117.46 113.91 3gyn n PHE 551 Ca -0.08 -4.05 -0.12 0.00 -0.05 0.00 0.00 57.45 53.15 3gyn n PHE 551 Cb 0.20 -0.51 -0.04 0.00 -0.94 0.00 0.00 39.48 38.19 3gyn n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3gyn n VAL 552 N 0.52 1.34 -4.07 -4.37 0.31 -1.24 -4.41 118.33 106.40 3gyn n VAL 552 Ca 0.29 0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.55 3gyn n VAL 552 Cb 0.42 -2.04 -0.07 0.00 -0.91 0.00 0.00 33.84 31.25 3gyn n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gyn s ALA 553 N -2.59 0.30 0.14 3.52 0.00 -1.25 -3.93 121.76 117.95 3gyn s ALA 553 Ca -0.25 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 3gyn s ALA 553 Cb 0.06 1.18 -0.05 0.00 0.00 0.00 0.00 23.12 24.31 3gyn s ALA 553 CO 0.34 -0.74 0.35 0.20 0.00 0.00 0.00 175.76 175.91 3gyn s GLY 554 N -3.07 2.16 0.00 0.00 0.00 -1.26 -4.93 107.32 100.21 3gyn s GLY 554 Ca 0.28 -0.65 0.17 0.00 0.00 0.00 0.00 44.72 44.52 3gyn s GLY 554 CO 0.10 -0.59 1.09 -1.72 0.00 0.00 0.00 173.10 171.98 3gyn n TYR 555 N -0.00 0.00 -1.66 1.90 4.01 0.08 -4.60 117.16 116.89 3gyn n TYR 555 Ca -0.03 -0.39 -0.53 0.00 -0.16 0.00 0.00 57.90 56.78 3gyn n TYR 555 Cb 0.52 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.45 3gyn n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3gyn n SER 556 N 0.33 2.26 0.00 7.72 2.88 -1.25 0.37 113.62 125.92 3gyn n SER 556 Ca 0.00 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 3gyn n SER 556 Cb 0.99 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 3gyn n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gyn n GLY 557 N 3.46 0.31 0.34 0.46 0.00 -1.26 -4.11 105.19 104.39 3gyn n GLY 557 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 3gyn n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyn n GLY 558 N -1.40 -0.25 3.48 -0.02 0.00 0.16 -2.99 105.19 104.17 3gyn n GLY 558 Ca 0.00 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 3gyn n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gyn n ASP 559 N -0.14 -2.22 -4.49 1.61 2.03 -1.26 -4.53 116.55 107.55 3gyn n ASP 559 Ca 0.18 -0.64 -0.33 0.00 0.52 0.00 0.00 54.79 54.52 3gyn n ASP 559 Cb 0.26 -4.98 -0.13 0.00 -0.72 0.00 0.00 41.12 35.56 3gyn n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gyn s ILE 560 N -3.40 3.45 -0.05 5.18 -1.09 -1.26 -4.35 121.20 119.67 3gyn s ILE 560 Ca 0.04 -0.55 0.03 0.00 -2.23 0.00 0.00 60.65 57.94 3gyn s ILE 560 Cb -0.02 -2.43 0.01 0.00 -1.58 0.00 0.00 42.46 38.44 3gyn s ILE 560 CO 0.74 0.56 -0.14 -0.47 -1.23 0.00 0.00 174.94 174.40 3gyn s TYR 561 N -0.25 1.50 0.00 3.97 5.04 0.92 -0.16 117.35 128.37 3gyn s TYR 561 Ca 0.03 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 3gyn s TYR 561 Cb -0.13 -1.06 0.00 0.00 0.35 0.00 0.00 41.96 41.12 3gyn s TYR 561 CO 0.03 -0.23 0.50 0.72 -1.34 0.00 0.00 175.55 175.23