#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ind s VAL 3 N 0.00 3.00 -0.17 0.00 1.01 -1.26 -4.98 120.40 117.99 1ind s VAL 3 Ca 0.00 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1ind s VAL 3 Cb 0.00 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1ind s VAL 3 CO 0.00 0.35 -0.15 -0.69 0.00 0.00 0.00 175.10 174.61 1ind s VAL 4 N -0.94 1.73 -0.08 2.92 1.01 -1.26 -0.74 120.40 123.04 1ind s VAL 4 Ca 0.15 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1ind s VAL 4 Cb -0.11 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1ind s VAL 4 CO 0.06 0.44 -0.08 0.28 0.00 0.00 0.00 175.10 175.80 1ind s THR 5 N 1.41 3.56 0.25 3.92 -1.32 0.19 -4.02 115.64 119.63 1ind s THR 5 Ca 0.04 -0.52 0.03 0.00 -1.21 0.00 0.00 61.69 60.03 1ind s THR 5 Cb -0.13 -2.46 -0.05 0.00 -1.51 0.00 0.00 72.50 68.34 1ind s THR 5 CO -0.11 0.58 0.03 -1.10 -2.21 0.00 0.00 174.62 171.80 1ind s GLN 6 N -0.53 1.40 0.26 7.08 -0.21 -1.26 -0.10 119.66 126.30 1ind s GLN 6 Ca 0.08 -1.73 -0.29 0.00 0.02 0.00 0.00 55.36 53.43 1ind s GLN 6 Cb -0.12 -0.57 -0.09 0.00 1.00 0.00 0.00 33.01 33.23 1ind s GLN 6 CO 0.02 -0.15 1.20 -1.21 -2.12 0.00 0.00 175.29 173.03 1ind s GLU 7 N -3.90 4.50 0.14 2.91 8.01 -1.26 -4.93 118.70 124.17 1ind s GLU 7 Ca 0.32 1.96 -0.20 0.00 0.01 0.00 0.00 54.97 57.05 1ind s GLU 7 Cb 0.07 -3.17 0.02 0.00 -4.31 0.00 0.00 34.13 26.74 1ind s GLU 7 CO 0.11 -0.02 1.67 0.77 0.01 0.00 0.00 175.26 177.80 1ind h SER 8 N 4.24 -0.42 -5.00 -0.19 0.02 -1.96 -3.36 113.55 106.87 1ind h SER 8 Ca -0.46 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.55 1ind h SER 8 Cb 1.22 0.23 -0.14 0.00 0.14 0.00 0.00 62.40 63.85 1ind h SER 8 CO 0.70 -0.16 0.18 0.00 -1.14 0.00 0.00 176.83 176.41 1ind s ALA 9 N -6.17 -1.60 0.02 3.77 0.00 -1.26 -1.59 121.76 114.93 1ind s ALA 9 Ca -0.14 0.69 -0.10 0.00 0.00 0.00 0.00 51.96 52.40 1ind s ALA 9 Cb 0.12 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1ind s ALA 9 CO 0.69 -0.65 0.22 -0.51 0.00 0.00 0.00 175.76 175.51 1ind s LEU 10 N -2.30 1.26 -0.02 0.00 1.43 -1.04 -4.94 118.68 113.06 1ind s LEU 10 Ca -0.02 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1ind s LEU 10 Cb -0.01 0.99 0.03 0.00 0.03 0.00 0.00 46.19 47.23 1ind s LEU 10 CO -0.06 -0.50 0.01 0.28 0.23 0.00 0.00 176.35 176.31 1ind s THR 11 N -2.04 0.09 0.29 5.49 -1.32 -1.26 0.04 115.64 116.95 1ind s THR 11 Ca -0.09 0.12 0.02 0.00 -1.21 0.00 0.00 61.69 60.53 1ind s THR 11 Cb -0.03 -0.20 -0.05 0.00 -1.51 0.00 0.00 72.50 70.71 1ind s THR 11 CO -0.01 0.12 0.10 0.42 -2.21 0.00 0.00 174.62 173.04 1ind s THR 12 N 0.97 0.65 0.13 5.08 -4.23 0.82 -4.96 115.64 114.10 1ind s THR 12 Ca -0.09 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.48 1ind s THR 12 Cb -0.13 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 1ind s THR 12 CO -0.02 0.00 -0.03 -0.44 -0.54 0.00 0.00 174.62 173.59 1ind s SER 13 N -3.39 4.72 0.17 3.99 0.01 -1.26 -0.75 113.70 117.20 1ind s SER 13 Ca 0.36 -0.34 -0.32 0.00 1.31 0.00 0.00 55.95 56.96 1ind s SER 13 Cb 0.07 -1.01 -0.11 0.00 0.21 0.00 0.00 66.02 65.18 1ind s SER 13 CO 0.15 0.14 1.75 -2.84 0.41 0.00 0.00 173.24 172.85 1ind s PRO 14 N -2.58 4.14 0.00 12.44 0.02 -1.26 -2.57 135.00 145.19 1ind s PRO 14 Ca 0.25 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.86 1ind s PRO 14 Cb -0.10 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1ind s PRO 14 CO 0.17 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 1ind n GLY 15 N 4.06 2.45 3.89 0.52 0.00 0.76 -4.98 105.19 111.90 1ind n GLY 15 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1ind n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ind s GLU 16 N -0.54 3.42 -0.15 1.61 2.02 -1.06 -4.10 118.70 119.90 1ind s GLU 16 Ca 0.00 0.41 -0.08 0.00 0.02 0.00 0.00 54.97 55.32 1ind s GLU 16 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 1ind s GLU 16 CO 0.00 -0.49 0.14 0.99 0.02 0.00 0.00 175.26 175.92 1ind s THR 17 N -3.00 5.47 0.05 3.63 2.01 -1.26 0.92 115.64 123.46 1ind s THR 17 Ca 0.52 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.74 1ind s THR 17 Cb -0.11 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1ind s THR 17 CO 0.49 0.55 -0.06 0.54 -0.69 0.00 0.00 174.62 175.44 1ind s VAL 18 N -0.47 0.47 -0.07 3.82 0.11 -0.39 -4.94 120.40 118.93 1ind s VAL 18 Ca 0.12 -1.27 0.03 0.00 -2.93 0.00 0.00 61.98 57.93 1ind s VAL 18 Cb -0.12 -0.82 0.01 0.00 -1.53 0.00 0.00 36.38 33.92 1ind s VAL 18 CO 0.02 -0.54 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.19 1ind s THR 19 N -2.01 1.42 -0.06 5.04 2.01 -1.26 -0.90 115.64 119.87 1ind s THR 19 Ca -0.06 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1ind s THR 19 Cb -0.06 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 1ind s THR 19 CO -0.02 0.42 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.51 1ind s LEU 20 N 0.47 3.21 0.29 4.42 1.02 0.02 -4.98 118.68 123.12 1ind s LEU 20 Ca -0.14 -0.01 0.08 0.00 0.02 0.00 0.00 54.13 54.08 1ind s LEU 20 Cb -0.16 -1.71 -0.06 0.00 0.02 0.00 0.00 46.19 44.29 1ind s LEU 20 CO 0.05 0.36 -0.09 0.42 0.02 0.00 0.00 176.35 177.11 1ind s THR 21 N -0.83 1.86 -0.21 5.49 -4.23 -1.26 -1.05 115.64 115.41 1ind s THR 21 Ca 0.13 -2.18 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1ind s THR 21 Cb -0.11 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.36 1ind s THR 21 CO 0.02 -0.32 0.07 0.00 -0.54 0.00 0.00 174.62 173.86 1ind s ARG 23 N 1.95 3.04 -0.16 0.00 3.52 0.86 -2.87 118.95 125.29 1ind s ARG 23 Ca 0.02 -0.48 -0.09 0.00 -0.13 0.00 0.00 55.73 55.05 1ind s ARG 23 Cb -0.17 -2.85 -0.05 0.00 -1.56 0.00 0.00 34.95 30.33 1ind s ARG 23 CO -0.14 0.65 0.13 0.45 -0.81 0.00 0.00 175.30 175.58 1ind s SER 24 N -1.65 6.29 0.01 -2.12 0.15 -1.26 -0.64 113.70 114.48 1ind s SER 24 Ca 0.22 0.34 -0.25 0.00 0.70 0.00 0.00 55.95 56.96 1ind s SER 24 Cb -0.12 -2.08 -0.18 0.00 -1.71 0.00 0.00 66.02 61.93 1ind s SER 24 CO 0.13 0.28 1.40 -1.28 1.20 0.00 0.00 173.24 174.97 1ind h SER 25 N 5.91 0.04 0.20 5.45 0.87 -1.32 -3.30 113.55 121.40 1ind h SER 25 Ca -0.47 -0.36 -0.02 0.00 -1.23 0.00 0.00 61.79 59.71 1ind h SER 25 Cb 1.19 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1ind h SER 25 CO 0.68 0.39 -0.11 0.71 -0.53 0.00 0.00 176.83 177.97 1ind h THR 26 N -0.31 0.78 0.00 2.23 1.35 -1.96 -3.49 112.91 111.51 1ind h THR 26 Ca 0.01 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1ind h THR 26 Cb 0.37 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1ind h THR 26 CO 0.00 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 1ind n GLY 27 N -0.99 -0.82 3.77 5.82 0.00 -1.24 -5.12 105.19 106.61 1ind n GLY 27 Ca -0.02 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1ind n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ind s ALA 28 N -1.00 3.53 0.27 4.61 0.00 -1.26 -4.34 121.76 123.56 1ind s ALA 28 Ca 0.00 1.40 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 1ind s ALA 28 Cb 0.00 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 1ind s ALA 28 CO 0.00 -0.82 0.96 0.08 0.00 0.00 0.00 175.76 175.98 1ind s VAL 29 N -1.13 4.03 0.39 0.00 1.01 -0.11 -5.00 120.40 119.59 1ind s VAL 29 Ca 0.51 1.96 0.04 0.00 0.00 0.00 0.00 61.98 64.49 1ind s VAL 29 Cb -0.43 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.72 1ind s VAL 29 CO 0.57 0.40 0.16 0.42 0.00 0.00 0.00 175.10 176.65 1ind s THR 30 N -1.28 0.46 0.52 3.92 -4.23 -1.26 -4.62 115.64 109.15 1ind s THR 30 Ca 0.44 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.12 1ind s THR 30 Cb -0.25 -2.37 0.28 0.00 1.34 0.00 0.00 72.50 71.50 1ind s THR 30 CO 0.31 0.00 2.15 0.00 -0.54 0.00 0.00 174.62 176.54 1ind h THR 31 N 1.86 0.95 -0.28 3.99 1.03 -1.99 -2.51 112.91 115.95 1ind h THR 31 Ca -0.33 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 1ind h THR 31 Cb 1.27 1.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.37 1ind h THR 31 CO 0.52 0.01 0.00 -1.54 -0.01 0.00 0.00 175.52 174.51 1ind n SER 32 N -4.43 1.81 -0.79 0.00 3.41 -1.26 -2.74 113.62 109.61 1ind n SER 32 Ca -0.03 -1.88 0.12 0.00 -0.26 0.00 0.00 58.87 56.81 1ind n SER 32 Cb 0.10 -0.19 0.11 0.00 -0.26 0.00 0.00 64.21 63.97 1ind n SER 32 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ind n ASN 33 N 0.46 2.61 -4.09 4.04 3.02 -0.94 -4.74 115.26 115.62 1ind n ASN 33 Ca 0.14 -1.82 -0.38 0.00 -0.03 0.00 0.00 54.58 52.49 1ind n ASN 33 Cb 0.31 0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.59 1ind n ASN 33 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ind n TYR 34 N 0.87 -1.19 -1.63 3.10 4.02 -1.11 -0.57 117.16 120.66 1ind n TYR 34 Ca 0.13 0.21 -0.62 0.00 -0.01 0.00 0.00 57.90 57.61 1ind n TYR 34 Cb 0.55 -2.48 -0.09 0.00 -0.02 0.00 0.00 39.34 37.30 1ind n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ind n ALA 35 N -4.53 -2.10 -2.35 -0.72 0.00 -1.26 -4.05 120.51 105.50 1ind n ALA 35 Ca -0.17 0.53 -0.30 0.00 0.00 0.00 0.00 53.44 53.51 1ind n ALA 35 Cb 0.55 -1.90 -0.16 0.00 0.00 0.00 0.00 19.45 17.93 1ind n ALA 35 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ind s ASN 36 N 1.65 2.86 -0.15 0.00 3.84 0.16 -0.79 114.94 122.51 1ind s ASN 36 Ca 0.97 -0.46 0.01 0.00 0.21 0.00 0.00 52.86 53.59 1ind s ASN 36 Cb -1.31 -0.31 0.02 0.00 -0.55 0.00 0.00 41.25 39.10 1ind s ASN 36 CO 0.67 0.29 -0.15 0.26 -2.79 0.00 0.00 177.10 175.38 1ind s TRP 37 N -0.60 2.26 0.14 0.43 0.52 0.77 0.58 118.94 123.04 1ind s TRP 37 Ca 0.09 -1.28 0.09 0.00 0.02 0.00 0.00 56.10 55.03 1ind s TRP 37 Cb -0.09 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 1ind s TRP 37 CO -0.01 -0.68 -0.20 0.14 0.02 0.00 0.00 176.95 176.22 1ind s VAL 38 N 1.43 1.83 -0.05 4.03 -7.23 -0.32 0.10 120.40 120.19 1ind s VAL 38 Ca 0.04 -1.78 -0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1ind s VAL 38 Cb -0.13 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 1ind s VAL 38 CO -0.11 -0.19 -0.01 -1.58 -0.31 0.00 0.00 175.10 172.90 1ind s GLN 39 N -2.43 2.86 -0.16 4.82 0.74 -0.01 -1.12 119.66 124.36 1ind s GLN 39 Ca 0.12 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.02 1ind s GLN 39 Cb -0.08 -2.71 0.03 0.00 1.10 0.00 0.00 33.01 31.35 1ind s GLN 39 CO 0.06 0.66 -0.12 -2.00 -0.55 0.00 0.00 175.29 173.34 1ind s GLU 40 N -1.16 2.09 0.31 1.67 2.12 -0.34 -1.30 118.70 122.09 1ind s GLU 40 Ca 0.16 -0.58 0.06 0.00 0.36 0.00 0.00 54.97 54.97 1ind s GLU 40 Cb -0.11 -2.11 -0.02 0.00 0.26 0.00 0.00 34.13 32.15 1ind s GLU 40 CO 0.06 -0.30 0.40 0.15 -0.54 0.00 0.00 175.26 175.03 1ind s LYS 41 N 1.50 3.11 0.47 4.30 -0.14 -0.40 -0.71 119.74 127.87 1ind s LYS 41 Ca 0.03 -1.01 -0.22 0.00 -1.36 0.00 0.00 55.97 53.41 1ind s LYS 41 Cb -0.14 -2.77 -0.10 0.00 -1.68 0.00 0.00 37.83 33.15 1ind s LYS 41 CO -0.10 0.16 0.85 -2.30 -0.76 0.00 0.00 175.35 173.20 1ind n PRO 42 N -1.52 1.01 -2.81 -1.68 -0.02 -1.26 -2.36 135.00 126.35 1ind n PRO 42 Ca -0.03 0.37 -0.10 0.00 -2.02 0.00 0.00 63.50 61.72 1ind n PRO 42 Cb 0.58 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 32.18 1ind n PRO 42 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ind n ASP 43 N 0.48 -3.81 -3.59 2.55 9.92 -1.26 -4.03 116.55 116.80 1ind n ASP 43 Ca 0.11 -0.19 -0.27 0.00 -0.53 0.00 0.00 54.79 53.91 1ind n ASP 43 Cb 0.41 -2.53 0.01 0.00 -0.64 0.00 0.00 41.12 38.37 1ind n ASP 43 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1ind n HIS 44 N -3.72 -2.03 -3.93 1.24 8.25 -1.09 -4.95 115.22 108.99 1ind n HIS 44 Ca -0.02 0.84 -0.34 0.00 -0.26 0.00 0.00 57.72 57.94 1ind n HIS 44 Cb 0.54 -2.26 -0.14 0.00 1.12 0.00 0.00 29.99 29.25 1ind n HIS 44 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ind s LEU 45 N -4.05 4.03 0.07 2.41 2.96 -1.00 -4.99 118.68 118.12 1ind s LEU 45 Ca 0.10 -1.44 0.03 0.00 -0.22 0.00 0.00 54.13 52.60 1ind s LEU 45 Cb -0.01 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1ind s LEU 45 CO 0.82 -0.29 0.07 -0.36 -1.32 0.00 0.00 176.35 175.28 1ind s PHE 46 N 1.19 3.18 -0.18 5.38 0.40 -1.26 -1.28 117.98 125.42 1ind s PHE 46 Ca -0.03 0.08 -0.13 0.00 -0.60 0.00 0.00 56.93 56.25 1ind s PHE 46 Cb -0.20 -1.63 0.05 0.00 0.51 0.00 0.00 43.02 41.76 1ind s PHE 46 CO -0.03 0.52 0.46 -0.08 0.70 0.00 0.00 175.22 176.79 1ind s THR 47 N -1.36 -0.01 0.08 0.64 -1.32 -0.42 -5.02 115.64 108.23 1ind s THR 47 Ca 0.28 0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.50 1ind s THR 47 Cb -0.12 -0.66 -0.05 0.00 -1.51 0.00 0.00 72.50 70.15 1ind s THR 47 CO 0.21 0.02 1.03 -0.83 -2.21 0.00 0.00 174.62 172.83 1ind s GLY 48 N 0.86 2.86 -0.22 6.08 0.00 -1.26 -0.83 107.32 114.80 1ind s GLY 48 Ca -0.05 0.65 -0.12 0.00 0.00 0.00 0.00 44.72 45.20 1ind s GLY 48 CO -0.07 1.65 -0.30 1.04 0.00 0.00 0.00 173.10 175.42 1ind n LEU 49 N 3.20 1.64 -4.09 0.66 4.77 0.28 -4.60 117.00 118.87 1ind n LEU 49 Ca 0.04 0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 56.16 1ind n LEU 49 Cb 0.49 -0.68 -0.12 0.00 -2.33 0.00 0.00 43.42 40.78 1ind n LEU 49 CO 0.52 0.41 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.95 1ind s ILE 50 N -2.45 0.72 0.04 -0.08 1.09 -0.91 -1.16 121.20 118.45 1ind s ILE 50 Ca -0.32 -1.08 -0.00 0.00 -1.10 0.00 0.00 60.65 58.15 1ind s ILE 50 Cb 0.12 -0.74 -0.03 0.00 -1.06 0.00 0.00 42.46 40.75 1ind s ILE 50 CO 0.40 -0.29 -0.03 -0.83 -0.10 0.00 0.00 174.94 174.09 1ind s GLY 51 N -1.51 0.37 -1.45 6.18 0.00 0.32 -0.16 107.32 111.07 1ind s GLY 51 Ca -0.06 -0.92 -0.10 0.00 0.00 0.00 0.00 44.72 43.64 1ind s GLY 51 CO 0.01 -1.01 0.76 0.61 0.00 0.00 0.00 173.10 173.47 1ind n GLY 52 N 0.83 -0.50 2.29 0.20 0.00 -1.18 -1.83 105.19 105.00 1ind n GLY 52 Ca -0.19 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 1ind n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ind n THR 53 N -4.44 -0.01 0.00 2.61 -1.04 0.03 -4.30 114.28 107.14 1ind n THR 53 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ind n THR 53 Cb 0.55 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 1ind n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1ind n ASN 54 N -0.93 0.00 -4.66 8.00 2.04 -1.13 -3.87 115.26 114.71 1ind n ASN 54 Ca -0.17 0.00 -0.43 0.00 -0.44 0.00 0.00 54.58 53.54 1ind n ASN 54 Cb 0.55 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.78 1ind n ASN 54 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1ind s ASN 55 N -0.44 6.99 -0.12 0.53 -0.87 -0.76 -4.51 114.94 115.77 1ind s ASN 55 Ca 0.00 1.47 -0.28 0.00 -1.57 0.00 0.00 52.86 52.47 1ind s ASN 55 Cb 0.00 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.25 38.68 1ind s ASN 55 CO 0.00 -0.75 0.96 -0.60 -2.57 0.00 0.00 177.10 174.14 1ind s ARG 56 N 3.43 4.40 0.73 -0.60 3.52 -1.26 -0.52 118.95 128.64 1ind s ARG 56 Ca 0.49 1.29 -0.15 0.00 -0.13 0.00 0.00 55.73 57.24 1ind s ARG 56 Cb -0.18 -3.55 0.04 0.00 -1.56 0.00 0.00 34.95 29.71 1ind s ARG 56 CO 0.11 -0.30 1.20 0.00 -0.81 0.00 0.00 175.30 175.50 1ind s ALA 57 N 2.00 2.14 0.31 6.12 0.00 -0.31 -4.91 121.76 127.11 1ind s ALA 57 Ca 0.46 0.85 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 1ind s ALA 57 Cb -0.18 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 1ind s ALA 57 CO 0.17 -1.84 1.39 -1.25 0.00 0.00 0.00 175.76 174.22 1ind s PRO 58 N -3.94 4.28 0.00 0.00 0.04 -1.26 -3.27 135.00 130.85 1ind s PRO 58 Ca 0.74 2.32 0.00 0.00 0.04 0.00 0.00 61.00 64.09 1ind s PRO 58 Cb -0.28 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1ind s PRO 58 CO 0.45 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.57 1ind n GLY 59 N 1.22 3.37 3.71 0.56 0.00 -1.26 -5.04 105.19 107.74 1ind n GLY 59 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1ind n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ind s VAL 60 N -2.50 4.14 0.51 1.61 1.01 -1.20 -5.00 120.40 118.97 1ind s VAL 60 Ca 0.00 1.53 -0.22 0.00 0.00 0.00 0.00 61.98 63.29 1ind s VAL 60 Cb 0.00 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 1ind s VAL 60 CO 0.00 0.11 1.24 -2.84 0.00 0.00 0.00 175.10 173.61 1ind s PRO 61 N 1.14 3.42 0.58 2.72 0.02 -1.26 -4.90 135.00 136.72 1ind s PRO 61 Ca 0.58 1.95 0.35 0.00 0.02 0.00 0.00 61.00 63.90 1ind s PRO 61 Cb -0.28 -2.28 1.34 0.00 0.02 0.00 0.00 34.50 33.30 1ind s PRO 61 CO 0.29 -0.88 1.58 0.00 -0.33 0.00 0.00 177.00 177.65 1ind h ALA 62 N 1.66 3.07 -0.96 -1.55 0.00 -2.00 -2.03 119.26 117.45 1ind h ALA 62 Ca -0.50 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.52 1ind h ALA 62 Cb 1.27 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 1ind h ALA 62 CO 0.58 -1.67 0.61 -0.09 0.00 0.00 0.00 179.25 178.68 1ind h ARG 63 N 0.00 0.76 -6.06 0.00 2.43 -1.90 -3.41 114.38 106.19 1ind h ARG 63 Ca 0.56 -0.05 -0.57 0.00 -0.81 0.00 0.00 59.98 59.12 1ind h ARG 63 Cb 2.68 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 32.00 1ind h ARG 63 CO -0.01 0.50 -0.00 -0.06 -1.51 0.00 0.00 179.97 178.89 1ind s PHE 64 N -5.79 3.66 0.02 2.20 0.40 -0.77 -1.58 117.98 116.12 1ind s PHE 64 Ca -0.11 1.20 0.01 0.00 -0.60 0.00 0.00 56.93 57.43 1ind s PHE 64 Cb 0.23 -2.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.11 1ind s PHE 64 CO 0.80 0.31 -0.05 -1.12 0.70 0.00 0.00 175.22 175.86 1ind s SER 65 N -0.04 0.52 0.16 1.36 0.01 -0.53 -4.99 113.70 110.20 1ind s SER 65 Ca 0.32 -0.31 0.10 0.00 1.31 0.00 0.00 55.95 57.37 1ind s SER 65 Cb -0.18 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1ind s SER 65 CO 0.17 -0.11 -0.22 -0.83 0.41 0.00 0.00 173.24 172.67 1ind s GLY 66 N -0.85 1.67 0.09 3.44 0.00 -1.26 -0.48 107.32 109.93 1ind s GLY 66 Ca -0.06 -1.51 -0.19 0.00 0.00 0.00 0.00 44.72 42.96 1ind s GLY 66 CO -0.00 -1.51 0.91 -1.14 0.00 0.00 0.00 173.10 171.35 1ind n SER 67 N 0.53 -1.26 -4.11 1.64 3.41 -0.16 -4.48 113.62 109.19 1ind n SER 67 Ca -0.15 -1.55 -0.31 0.00 -0.26 0.00 0.00 58.87 56.60 1ind n SER 67 Cb 0.54 2.02 -0.16 0.00 -0.26 0.00 0.00 64.21 66.35 1ind n SER 67 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ind s LEU 68 N 0.00 1.94 -0.05 1.04 1.43 -1.26 -0.45 118.68 121.33 1ind s LEU 68 Ca 0.21 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1ind s LEU 68 Cb -0.02 -1.31 0.04 0.00 0.03 0.00 0.00 46.19 44.93 1ind s LEU 68 CO 0.03 0.03 0.11 -0.51 0.23 0.00 0.00 176.35 176.24 1ind s ILE 69 N 1.02 -0.09 0.00 -0.59 2.07 0.80 -4.97 121.20 119.45 1ind s ILE 69 Ca -0.04 0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 1ind s ILE 69 Cb -0.15 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.25 1ind s ILE 69 CO -0.05 0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1ind n GLY 70 N 4.46 -1.13 1.86 1.50 0.00 -1.26 -2.97 105.19 107.65 1ind n GLY 70 Ca -0.22 -1.24 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 1ind n GLY 70 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ind n ASP 71 N -0.01 3.66 -4.23 1.61 5.75 -1.26 -4.91 116.55 117.16 1ind n ASP 71 Ca 0.00 -3.12 -0.14 0.00 -0.01 0.00 0.00 54.79 51.52 1ind n ASP 71 Cb 0.00 -0.74 -0.10 0.00 -1.03 0.00 0.00 41.12 39.25 1ind n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ind s LYS 72 N -2.40 0.99 0.06 0.11 1.02 -1.16 -0.93 119.74 117.43 1ind s LYS 72 Ca 0.42 -1.39 -0.19 0.00 0.02 0.00 0.00 55.97 54.82 1ind s LYS 72 Cb 0.35 -0.54 -0.06 0.00 -0.52 0.00 0.00 37.83 37.05 1ind s LYS 72 CO 0.08 0.06 0.57 0.00 -0.92 0.00 0.00 175.35 175.14 1ind s ALA 73 N -3.27 3.58 0.02 5.17 0.00 -1.14 -0.14 121.76 125.98 1ind s ALA 73 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1ind s ALA 73 Cb 0.02 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 1ind s ALA 73 CO -0.00 0.36 -0.03 0.00 0.00 0.00 0.00 175.76 176.09 1ind s ALA 74 N -0.94 0.13 -0.24 0.00 0.00 0.41 -1.39 121.76 119.73 1ind s ALA 74 Ca 0.29 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 1ind s ALA 74 Cb -0.19 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.07 1ind s ALA 74 CO 0.18 -0.12 -0.09 -1.17 0.00 0.00 0.00 175.76 174.56 1ind s LEU 75 N -1.19 3.10 -0.11 0.00 2.96 -0.22 -0.99 118.68 122.24 1ind s LEU 75 Ca -0.13 -0.97 -0.01 0.00 -0.22 0.00 0.00 54.13 52.81 1ind s LEU 75 Cb -0.08 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1ind s LEU 75 CO -0.01 -0.13 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.93 1ind s THR 76 N 1.27 3.54 -0.37 3.68 2.01 0.37 -0.80 115.64 125.33 1ind s THR 76 Ca -0.01 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 1ind s THR 76 Cb -0.17 -2.49 0.09 0.00 0.01 0.00 0.00 72.50 69.94 1ind s THR 76 CO -0.06 0.54 0.13 -0.63 -0.69 0.00 0.00 174.62 173.91 1ind s ILE 77 N -0.09 3.09 -0.37 1.82 1.01 -0.07 -1.45 121.20 125.14 1ind s ILE 77 Ca 0.00 -1.89 -0.29 0.00 0.00 0.00 0.00 60.65 58.47 1ind s ILE 77 Cb -0.13 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.32 1ind s ILE 77 CO 0.03 -0.51 1.10 -0.89 0.00 0.00 0.00 174.94 174.67 1ind s THR 78 N 1.15 4.41 -0.75 2.92 2.01 -0.62 -1.27 115.64 123.49 1ind s THR 78 Ca 0.05 1.57 -0.04 0.00 0.31 0.00 0.00 61.69 63.58 1ind s THR 78 Cb -0.21 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 67.78 1ind s THR 78 CO -0.04 -0.64 0.66 0.61 -0.69 0.00 0.00 174.62 174.52 1ind n GLY 79 N 4.18 -0.52 3.61 4.40 0.00 -0.84 -4.74 105.19 111.28 1ind n GLY 79 Ca 0.12 0.30 -0.49 0.00 0.00 0.00 0.00 46.02 45.95 1ind n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ind n ALA 80 N -2.77 -0.23 -2.77 4.61 0.00 0.26 -4.42 120.51 115.19 1ind n ALA 80 Ca -0.06 0.47 -0.20 0.00 0.00 0.00 0.00 53.44 53.64 1ind n ALA 80 Cb 0.59 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.89 1ind n ALA 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1ind s GLN 81 N 0.09 3.26 0.34 0.00 2.00 -1.26 -0.17 119.66 123.91 1ind s GLN 81 Ca 0.77 -0.89 0.03 0.00 -2.00 0.00 0.00 55.36 53.26 1ind s GLN 81 Cb -0.83 -2.82 0.60 0.00 0.80 0.00 0.00 33.01 30.76 1ind s GLN 81 CO 0.48 0.29 1.92 1.15 -0.50 0.00 0.00 175.29 178.63 1ind h THR 82 N 1.11 1.18 0.00 -0.34 2.02 -1.93 -2.00 112.91 112.96 1ind h THR 82 Ca -0.49 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.11 1ind h THR 82 Cb 1.24 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1ind h THR 82 CO 0.58 0.23 0.00 -1.84 0.37 0.00 0.00 175.52 174.86 1ind n GLU 83 N -4.35 0.86 0.00 6.66 0.28 -1.26 -3.01 120.64 119.82 1ind n GLU 83 Ca 0.04 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.15 1ind n GLU 83 Cb 0.16 -1.05 0.07 0.00 1.43 0.00 0.00 31.44 32.04 1ind n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ind n ASP 84 N -0.55 1.79 -4.60 -1.84 8.00 -0.75 -4.80 116.55 113.79 1ind n ASP 84 Ca 0.02 -1.37 -0.43 0.00 0.71 0.00 0.00 54.79 53.73 1ind n ASP 84 Cb 0.01 0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 1ind n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1ind s GLU 85 N -2.51 3.31 0.20 -1.24 2.12 -1.16 -4.81 118.70 114.60 1ind s GLU 85 Ca 0.19 1.49 -0.11 0.00 0.36 0.00 0.00 54.97 56.90 1ind s GLU 85 Cb 0.18 -4.22 0.04 0.00 0.26 0.00 0.00 34.13 30.40 1ind s GLU 85 CO 0.58 -1.89 0.56 0.00 -0.54 0.00 0.00 175.26 173.97 1ind n ALA 86 N 10.44 -1.36 -2.93 6.30 0.00 -1.22 -4.95 120.51 126.79 1ind n ALA 86 Ca 0.24 -0.74 -0.35 0.00 0.00 0.00 0.00 53.44 52.59 1ind n ALA 86 Cb 0.47 0.53 -0.11 0.00 0.00 0.00 0.00 19.45 20.33 1ind n ALA 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ind s ARG 87 N -2.05 3.78 -0.16 0.00 0.52 0.11 -1.64 118.95 119.52 1ind s ARG 87 Ca 0.12 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1ind s ARG 87 Cb -0.03 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.33 1ind s ARG 87 CO 0.06 0.16 -0.15 0.71 0.02 0.00 0.00 175.30 176.10 1ind s TYR 88 N 0.63 2.79 0.09 -0.53 1.51 0.89 -1.20 117.35 121.53 1ind s TYR 88 Ca 0.01 -1.12 0.05 0.00 -1.01 0.00 0.00 57.07 54.99 1ind s TYR 88 Cb -0.14 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1ind s TYR 88 CO 0.02 -0.53 -0.00 -0.06 -1.11 0.00 0.00 175.55 173.87 1ind s PHE 89 N 0.93 2.99 0.12 2.71 0.08 -0.28 0.73 117.98 125.26 1ind s PHE 89 Ca -0.03 -0.03 0.07 0.00 0.12 0.00 0.00 56.93 57.07 1ind s PHE 89 Cb -0.15 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 1ind s PHE 89 CO -0.02 0.48 -0.18 0.00 -0.10 0.00 0.00 175.22 175.40 1ind s ALA 91 N -1.68 0.38 -0.02 0.00 0.00 0.20 0.35 121.76 120.98 1ind s ALA 91 Ca 0.09 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.80 1ind s ALA 91 Cb -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1ind s ALA 91 CO 0.04 0.06 -0.13 -0.51 0.00 0.00 0.00 175.76 175.22 1ind s LEU 92 N -0.36 1.94 -0.19 0.00 1.43 -0.32 0.40 118.68 121.58 1ind s LEU 92 Ca -0.01 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 1ind s LEU 92 Cb -0.03 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 1ind s LEU 92 CO -0.00 0.14 0.21 0.86 0.23 0.00 0.00 176.35 177.78 1ind s TRP 93 N -0.12 3.41 -0.52 0.29 -0.11 0.26 0.04 118.94 122.19 1ind s TRP 93 Ca 0.01 0.42 0.05 0.00 1.22 0.00 0.00 56.10 57.80 1ind s TRP 93 Cb -0.07 -2.26 0.38 0.00 -1.50 0.00 0.00 33.47 30.01 1ind s TRP 93 CO 0.00 0.22 1.05 0.66 -4.62 0.00 0.00 176.95 174.26 1ind n TYR 94 N 3.72 3.73 -4.11 5.86 4.01 -0.53 -4.21 117.16 125.64 1ind n TYR 94 Ca -0.14 -3.55 -0.36 0.00 -0.16 0.00 0.00 57.90 53.69 1ind n TYR 94 Cb 0.52 -0.32 -0.03 0.00 -0.31 0.00 0.00 39.34 39.20 1ind n TYR 94 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1ind n SER 95 N -0.36 -1.49 0.00 7.72 3.41 -1.26 -4.21 113.62 117.43 1ind n SER 95 Ca 0.35 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1ind n SER 95 Cb 0.51 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1ind n SER 95 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ind n ASN 96 N -2.22 0.00 -3.37 4.04 4.05 -1.26 -5.14 115.26 111.36 1ind n ASN 96 Ca -0.20 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 54.68 1ind n ASN 96 Cb 0.57 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.53 1ind n ASN 96 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 1ind s LEU 97 N 0.00 1.12 -0.01 1.20 0.05 -1.26 -5.17 118.68 114.61 1ind s LEU 97 Ca 0.00 -1.50 0.08 0.00 0.05 0.00 0.00 54.13 52.76 1ind s LEU 97 Cb 0.00 1.24 -0.02 0.00 -2.05 0.00 0.00 46.19 45.36 1ind s LEU 97 CO 0.00 -1.21 -0.25 0.26 -0.55 0.00 0.00 176.35 174.60 1ind s TRP 98 N -3.26 2.36 -0.08 3.48 0.52 -1.26 -1.45 118.94 119.25 1ind s TRP 98 Ca 0.33 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 56.03 1ind s TRP 98 Cb 0.01 -1.49 0.02 0.00 -1.15 0.00 0.00 33.47 30.86 1ind s TRP 98 CO 0.20 0.01 -0.06 0.08 0.02 0.00 0.00 176.95 177.20 1ind s VAL 99 N -0.66 0.81 0.10 4.03 1.01 0.11 -4.98 120.40 120.82 1ind s VAL 99 Ca 0.10 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1ind s VAL 99 Cb -0.10 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 1ind s VAL 99 CO -0.00 0.32 0.46 -0.36 0.00 0.00 0.00 175.10 175.51 1ind s PHE 100 N 1.42 3.60 0.62 5.22 0.40 -1.26 -1.17 117.98 126.81 1ind s PHE 100 Ca -0.02 0.91 -0.01 0.00 -0.60 0.00 0.00 56.93 57.21 1ind s PHE 100 Cb -0.13 -2.25 0.06 0.00 0.51 0.00 0.00 43.02 41.20 1ind s PHE 100 CO -0.04 0.49 0.88 0.20 0.70 0.00 0.00 175.22 177.45 1ind s GLY 101 N -1.70 1.78 0.00 4.36 0.00 0.15 -4.63 107.32 107.28 1ind s GLY 101 Ca 0.34 -1.28 0.09 0.00 0.00 0.00 0.00 44.72 43.87 1ind s GLY 101 CO 0.18 -0.91 1.19 0.61 0.00 0.00 0.00 173.10 174.17 1ind n GLY 102 N -2.60 -0.64 0.00 0.20 0.00 -1.26 -4.57 105.19 96.32 1ind n GLY 102 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ind n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ind n GLY 103 N -0.57 -1.78 3.12 -0.02 0.00 -1.26 -4.98 105.19 99.71 1ind n GLY 103 Ca 0.03 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1ind n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ind s THR 104 N -3.51 2.32 -0.58 2.61 2.01 0.22 -4.68 115.64 114.03 1ind s THR 104 Ca 0.00 -1.24 -0.28 0.00 0.31 0.00 0.00 61.69 60.49 1ind s THR 104 Cb 0.00 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.34 1ind s THR 104 CO 0.00 0.23 1.44 -0.54 -0.69 0.00 0.00 174.62 175.06 1ind s LYS 105 N 1.23 3.24 -0.07 4.92 1.02 -0.62 -0.08 119.74 129.38 1ind s LYS 105 Ca -0.02 0.41 -0.11 0.00 0.02 0.00 0.00 55.97 56.27 1ind s LYS 105 Cb -0.17 -4.15 -0.05 0.00 -0.52 0.00 0.00 37.83 32.95 1ind s LYS 105 CO -0.08 -2.02 0.27 -1.17 -0.92 0.00 0.00 175.35 171.44 1ind s LEU 106 N 6.26 4.42 -0.11 3.17 2.96 -0.65 -2.49 118.68 132.24 1ind s LEU 106 Ca 0.52 0.70 0.02 0.00 -0.22 0.00 0.00 54.13 55.15 1ind s LEU 106 Cb -0.11 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.24 1ind s LEU 106 CO 0.24 0.35 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.54 1ind s THR 107 N -0.94 2.56 -0.25 3.68 2.01 0.11 -3.42 115.64 119.40 1ind s THR 107 Ca 0.19 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.37 1ind s THR 107 Cb -0.14 -2.03 0.05 0.00 0.01 0.00 0.00 72.50 70.40 1ind s THR 107 CO 0.08 0.55 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.75 1ind s VAL 108 N 0.25 2.09 -0.29 3.82 1.01 -1.26 -0.13 120.40 125.90 1ind s VAL 108 Ca -0.13 -1.51 -0.28 0.00 0.00 0.00 0.00 61.98 60.06 1ind s VAL 108 Cb -0.16 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1ind s VAL 108 CO 0.07 0.03 2.01 -0.76 0.00 0.00 0.00 175.10 176.45 1ind s LEU 109 N 1.15 3.47 0.00 3.92 2.01 0.07 -4.78 118.68 124.52 1ind s LEU 109 Ca -0.07 1.55 0.17 0.00 0.01 0.00 0.00 54.13 55.79 1ind s LEU 109 Cb -0.19 -3.46 0.37 0.00 0.01 0.00 0.00 46.19 42.91 1ind s LEU 109 CO -0.06 -1.88 1.29 0.61 1.01 0.00 0.00 176.35 177.32 1ind n GLY 110 N 5.61 1.91 3.59 -3.19 0.00 -1.26 -4.35 105.19 107.48 1ind n GLY 110 Ca 0.26 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 1ind n GLY 110 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ind s GLN 111 N -1.14 0.38 0.86 1.61 -2.07 -1.26 -5.16 119.66 112.89 1ind s GLN 111 Ca 0.31 -0.15 -0.14 0.00 -1.82 0.00 0.00 55.36 53.57 1ind s GLN 111 Cb 0.17 0.17 0.02 0.00 -1.09 0.00 0.00 33.01 32.29 1ind s GLN 111 CO 0.24 -0.17 0.59 -2.30 -1.32 0.00 0.00 175.29 172.32 1ind n PRO 112 N -0.13 -0.05 -2.06 9.60 -0.02 -1.26 -4.92 135.00 136.16 1ind n PRO 112 Ca -0.01 0.04 -0.36 0.00 -2.02 0.00 0.00 63.50 61.15 1ind n PRO 112 Cb 0.59 -1.95 0.02 0.00 -0.02 0.00 0.00 33.50 32.14 1ind n PRO 112 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1ind s LYS 113 N -3.47 3.14 -0.05 -0.52 2.47 -1.26 -4.87 119.74 115.18 1ind s LYS 113 Ca 0.62 1.83 -0.05 0.00 -1.56 0.00 0.00 55.97 56.82 1ind s LYS 113 Cb -0.27 -2.03 0.02 0.00 -1.46 0.00 0.00 37.83 34.09 1ind s LYS 113 CO 0.62 -1.07 0.14 0.45 0.16 0.00 0.00 175.35 175.65 1ind s SER 114 N -1.52 -0.14 0.33 1.43 0.15 0.13 -4.94 113.70 109.14 1ind s SER 114 Ca 0.74 0.28 -0.13 0.00 0.70 0.00 0.00 55.95 57.54 1ind s SER 114 Cb -0.30 0.27 -0.08 0.00 -1.71 0.00 0.00 66.02 64.20 1ind s SER 114 CO 0.34 -0.06 0.72 -0.44 1.20 0.00 0.00 173.24 175.00 1ind s SER 115 N 0.19 6.68 0.32 5.45 0.01 -1.26 -1.23 113.70 123.87 1ind s SER 115 Ca -0.01 1.19 -0.29 0.00 1.31 0.00 0.00 55.95 58.15 1ind s SER 115 Cb -0.02 -2.34 -0.10 0.00 0.21 0.00 0.00 66.02 63.77 1ind s SER 115 CO -0.01 -0.24 1.29 -2.16 0.41 0.00 0.00 173.24 172.54 1ind s PRO 116 N -3.20 4.38 -0.46 12.44 0.04 -1.26 -4.36 135.00 142.58 1ind s PRO 116 Ca 0.52 2.18 -0.17 0.00 0.04 0.00 0.00 61.00 63.57 1ind s PRO 116 Cb -0.10 -3.08 0.05 0.00 0.04 0.00 0.00 34.50 31.40 1ind s PRO 116 CO 0.22 -0.16 0.47 -1.12 0.04 0.00 0.00 177.00 176.45 1ind s SER 117 N -0.48 6.18 0.14 6.66 0.01 0.28 -4.85 113.70 121.64 1ind s SER 117 Ca 0.49 -0.99 0.05 0.00 1.31 0.00 0.00 55.95 56.81 1ind s SER 117 Cb -0.39 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1ind s SER 117 CO 0.51 -0.69 0.11 -0.69 0.41 0.00 0.00 173.24 172.89 1ind s VAL 118 N 2.08 4.41 -0.28 3.43 1.01 -1.26 0.01 120.40 129.81 1ind s VAL 118 Ca 0.10 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 1ind s VAL 118 Cb -0.20 -3.22 0.11 0.00 0.00 0.00 0.00 36.38 33.07 1ind s VAL 118 CO 0.10 -0.05 0.84 0.42 0.00 0.00 0.00 175.10 176.42 1ind s THR 119 N -1.65 0.00 -0.15 3.92 -4.23 -0.35 -4.99 115.64 108.20 1ind s THR 119 Ca 0.30 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.77 1ind s THR 119 Cb -0.11 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.71 1ind s THR 119 CO 0.22 0.00 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.05 1ind s LEU 120 N 1.23 3.27 -0.04 4.79 0.20 -1.26 0.26 118.68 127.13 1ind s LEU 120 Ca -0.07 -0.11 0.02 0.00 0.69 0.00 0.00 54.13 54.65 1ind s LEU 120 Cb -0.04 -1.78 -0.03 0.00 -0.43 0.00 0.00 46.19 43.90 1ind s LEU 120 CO -0.14 0.18 -0.06 -0.36 -0.29 0.00 0.00 176.35 175.67 1ind s PHE 121 N 0.30 2.93 0.79 5.38 0.08 0.27 -4.96 117.98 122.77 1ind s PHE 121 Ca -0.03 0.01 -0.12 0.00 0.12 0.00 0.00 56.93 56.91 1ind s PHE 121 Cb -0.14 -1.68 0.07 0.00 -0.57 0.00 0.00 43.02 40.70 1ind s PHE 121 CO 0.03 0.35 1.12 -1.25 -0.10 0.00 0.00 175.22 175.37 1ind s PRO 122 N -1.02 2.15 0.20 0.24 0.04 -1.26 -2.14 135.00 133.20 1ind s PRO 122 Ca 0.14 0.42 -0.30 0.00 0.04 0.00 0.00 61.00 61.30 1ind s PRO 122 Cb -0.11 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1ind s PRO 122 CO 0.04 -1.53 1.35 -2.14 0.04 0.00 0.00 177.00 174.76 1ind s PRO 123 N -5.32 4.35 0.73 0.56 0.02 -1.26 -4.78 135.00 129.30 1ind s PRO 123 Ca 0.61 2.12 -0.11 0.00 0.02 0.00 0.00 61.00 63.64 1ind s PRO 123 Cb -0.13 -3.18 0.03 0.00 0.02 0.00 0.00 34.50 31.24 1ind s PRO 123 CO 0.52 -0.32 1.07 -1.54 -0.33 0.00 0.00 177.00 176.40 1ind s SER 124 N 0.47 5.01 0.06 2.53 1.04 -1.26 -4.91 113.70 116.64 1ind s SER 124 Ca 0.59 1.70 -0.30 0.00 0.48 0.00 0.00 55.95 58.41 1ind s SER 124 Cb -0.38 -2.50 -0.16 0.00 0.10 0.00 0.00 66.02 63.08 1ind s SER 124 CO 0.38 -1.69 1.47 0.28 0.98 0.00 0.00 173.24 174.65 1ind h SER 125 N -0.89 -1.09 -0.98 7.02 0.02 -1.98 -2.39 113.55 113.26 1ind h SER 125 Ca -0.44 0.07 0.38 0.00 -0.84 0.00 0.00 61.79 60.97 1ind h SER 125 Cb 1.22 0.33 -0.18 0.00 0.14 0.00 0.00 62.40 63.91 1ind h SER 125 CO 0.55 -0.61 0.43 -0.62 -1.14 0.00 0.00 176.83 175.44 1ind n GLU 126 N -5.01 -0.06 -0.03 3.45 1.02 -1.26 -0.35 120.64 118.40 1ind n GLU 126 Ca -0.12 1.38 -0.14 0.00 -0.02 0.00 0.00 57.16 58.26 1ind n GLU 126 Cb 0.41 -2.41 -0.10 0.00 -0.02 0.00 0.00 31.44 29.32 1ind n GLU 126 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ind h GLU 127 N 0.00 0.15 -0.10 3.49 4.81 -1.79 -3.22 114.58 117.92 1ind h GLU 127 Ca 0.79 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.94 1ind h GLU 127 Cb 2.02 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.41 1ind h GLU 127 CO -0.79 0.74 0.11 -0.07 -0.73 0.00 0.00 179.01 178.27 1ind h LEU 128 N -0.41 0.00 -0.78 1.64 3.38 -0.19 -0.30 115.31 118.66 1ind h LEU 128 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ind h LEU 128 Cb 0.75 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1ind h LEU 128 CO 0.03 0.00 0.48 -0.33 0.09 0.00 0.00 178.44 178.70 1ind h GLU 129 N 0.00 1.05 0.00 1.13 5.08 -1.45 -1.57 114.58 118.82 1ind h GLU 129 Ca 0.05 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ind h GLU 129 Cb 0.27 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ind h GLU 129 CO -0.00 0.73 0.00 0.25 -1.00 0.00 0.00 179.01 178.99 1ind n THR 130 N -4.49 0.00 -1.98 1.13 -2.24 -0.13 -4.83 114.28 101.73 1ind n THR 130 Ca 0.07 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1ind n THR 130 Cb 0.05 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.68 1ind n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ind n ASN 131 N -0.91 -4.01 -4.31 3.42 2.85 -0.59 -5.02 115.26 106.69 1ind n ASN 131 Ca 0.13 0.08 -0.26 0.00 -0.11 0.00 0.00 54.58 54.41 1ind n ASN 131 Cb 0.06 -3.04 -0.13 0.00 1.24 0.00 0.00 39.78 37.91 1ind n ASN 131 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1ind s LYS 132 N -4.14 1.32 -0.34 1.20 3.01 -1.15 -2.62 119.74 117.01 1ind s LYS 132 Ca 0.00 -1.15 -0.01 0.00 -1.01 0.00 0.00 55.97 53.80 1ind s LYS 132 Cb 0.00 -1.60 0.13 0.00 -1.01 0.00 0.00 37.83 35.35 1ind s LYS 132 CO 0.00 0.39 0.19 0.00 0.51 0.00 0.00 175.35 176.44 1ind s ALA 133 N -1.02 0.89 -0.40 5.17 0.00 -0.46 -2.53 121.76 123.41 1ind s ALA 133 Ca 0.09 -1.70 -0.14 0.00 0.00 0.00 0.00 51.96 50.20 1ind s ALA 133 Cb -0.10 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.47 1ind s ALA 133 CO 0.04 -2.00 0.29 0.99 0.00 0.00 0.00 175.76 175.07 1ind s THR 134 N 1.29 5.23 -0.09 0.00 2.01 -1.26 -2.21 115.64 120.62 1ind s THR 134 Ca 0.16 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.32 1ind s THR 134 Cb -0.21 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 1ind s THR 134 CO -0.08 -0.26 0.76 -0.76 -0.69 0.00 0.00 174.62 173.59 1ind s LEU 135 N 1.68 4.29 -0.12 4.42 2.01 -0.37 -4.03 118.68 126.56 1ind s LEU 135 Ca 0.05 1.22 0.00 0.00 0.01 0.00 0.00 54.13 55.42 1ind s LEU 135 Cb -0.19 -3.16 -0.01 0.00 0.01 0.00 0.00 46.19 42.84 1ind s LEU 135 CO 0.10 -0.20 -0.14 -0.69 1.01 0.00 0.00 176.35 176.43 1ind s VAL 136 N 1.15 2.99 -0.24 -1.59 1.01 -0.91 -1.92 120.40 120.89 1ind s VAL 136 Ca 0.39 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1ind s VAL 136 Cb -0.18 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.00 1ind s VAL 136 CO 0.18 0.53 -0.13 0.00 0.00 0.00 0.00 175.10 175.68 1ind s THR 138 N 1.19 5.26 -0.12 0.00 -4.23 0.14 0.59 115.64 118.48 1ind s THR 138 Ca -0.03 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1ind s THR 138 Cb -0.17 -3.59 0.02 0.00 1.34 0.00 0.00 72.50 70.10 1ind s THR 138 CO -0.07 0.54 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.82 1ind s ILE 139 N -0.62 1.18 0.17 2.99 1.01 0.34 -1.21 121.20 125.06 1ind s ILE 139 Ca 0.19 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1ind s ILE 139 Cb -0.14 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1ind s ILE 139 CO 0.08 0.39 0.02 -0.63 0.00 0.00 0.00 174.94 174.80 1ind s ILE 140 N 1.51 0.52 -1.49 2.92 1.09 0.10 -1.71 121.20 124.14 1ind s ILE 140 Ca 0.02 -1.96 -0.11 0.00 -1.10 0.00 0.00 60.65 57.50 1ind s ILE 140 Cb -0.13 -2.14 0.11 0.00 -1.06 0.00 0.00 42.46 39.23 1ind s ILE 140 CO -0.07 -0.43 0.27 0.47 -0.10 0.00 0.00 174.94 175.08 1ind n ASP 141 N -0.22 -0.42 -4.89 3.58 9.92 -1.14 0.10 116.55 123.47 1ind n ASP 141 Ca -0.06 -1.09 -0.34 0.00 -0.53 0.00 0.00 54.79 52.77 1ind n ASP 141 Cb 0.64 -1.38 -0.05 0.00 -0.64 0.00 0.00 41.12 39.69 1ind n ASP 141 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1ind s PHE 142 N -3.54 3.56 -0.19 1.24 -0.12 -1.10 -4.39 117.98 113.43 1ind s PHE 142 Ca 0.38 0.46 -0.09 0.00 -0.05 0.00 0.00 56.93 57.62 1ind s PHE 142 Cb -0.22 -1.90 0.07 0.00 -0.63 0.00 0.00 43.02 40.34 1ind s PHE 142 CO 0.88 0.63 0.44 -0.47 -0.05 0.00 0.00 175.22 176.65 1ind s TYR 143 N -1.31 -0.73 0.91 3.49 5.04 -0.36 -1.87 117.35 122.52 1ind s TYR 143 Ca 0.27 1.47 -0.12 0.00 -2.44 0.00 0.00 57.07 56.25 1ind s TYR 143 Cb -0.13 0.33 0.08 0.00 0.35 0.00 0.00 41.96 42.59 1ind s TYR 143 CO 0.17 -0.42 0.81 -2.30 -1.34 0.00 0.00 175.55 172.47 1ind n PRO 144 N 4.69 -0.26 -1.32 4.97 -0.02 -1.26 0.20 135.00 141.99 1ind n PRO 144 Ca -0.18 -0.02 -0.39 0.00 -2.02 0.00 0.00 63.50 60.90 1ind n PRO 144 Cb 0.53 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1ind n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ind n GLY 145 N 0.91 4.24 3.14 -1.23 0.00 -1.26 -4.79 105.19 106.19 1ind n GLY 145 Ca 0.10 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 1ind n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ind s VAL 146 N 2.25 -0.03 0.05 1.61 1.01 -1.26 -4.89 120.40 119.14 1ind s VAL 146 Ca 0.68 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.61 1ind s VAL 146 Cb 0.18 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 36.13 1ind s VAL 146 CO -0.06 0.05 0.39 0.54 0.00 0.00 0.00 175.10 176.02 1ind s VAL 147 N 1.25 0.06 -0.08 2.92 0.11 -1.26 -4.65 120.40 118.75 1ind s VAL 147 Ca -0.09 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 1ind s VAL 147 Cb -0.09 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.80 1ind s VAL 147 CO -0.10 -0.28 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.38 1ind s THR 148 N -2.64 1.20 -0.06 5.04 2.01 -0.84 -5.00 115.64 115.34 1ind s THR 148 Ca -0.04 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.52 1ind s THR 148 Cb -0.00 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1ind s THR 148 CO -0.04 0.38 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.40 1ind s VAL 149 N 0.91 2.69 -0.01 3.82 1.01 -1.26 0.15 120.40 127.71 1ind s VAL 149 Ca -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1ind s VAL 149 Cb -0.15 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1ind s VAL 149 CO 0.01 0.57 -0.03 -1.81 0.00 0.00 0.00 175.10 173.83 1ind s ASP 150 N -0.37 0.53 -0.07 3.32 1.01 0.73 -5.00 116.67 116.83 1ind s ASP 150 Ca 0.03 -0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.23 1ind s ASP 150 Cb -0.12 -0.14 -0.03 0.00 1.01 0.00 0.00 42.92 43.64 1ind s ASP 150 CO 0.02 0.01 -0.08 0.26 0.21 0.00 0.00 175.17 175.59 1ind s TRP 151 N 0.26 2.92 -0.07 4.23 0.52 -1.26 0.14 118.94 125.68 1ind s TRP 151 Ca -0.03 -0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.09 1ind s TRP 151 Cb -0.06 -1.72 0.02 0.00 -1.15 0.00 0.00 33.47 30.56 1ind s TRP 151 CO -0.00 0.29 -0.10 0.15 0.02 0.00 0.00 176.95 177.30 1ind s LYS 152 N -0.73 1.54 -0.25 4.98 1.02 0.23 0.21 119.74 126.74 1ind s LYS 152 Ca 0.11 -0.34 -0.03 0.00 0.02 0.00 0.00 55.97 55.72 1ind s LYS 152 Cb -0.11 -1.34 0.01 0.00 -0.52 0.00 0.00 37.83 35.87 1ind s LYS 152 CO 0.01 -0.03 -0.03 0.08 -0.92 0.00 0.00 175.35 174.47 1ind s VAL 153 N 0.84 3.25 -1.43 3.17 1.01 0.20 -0.00 120.40 127.44 1ind s VAL 153 Ca -0.11 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 1ind s VAL 153 Cb -0.15 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.68 1ind s VAL 153 CO 0.02 0.24 0.67 0.47 0.00 0.00 0.00 175.10 176.49 1ind n ASP 154 N 4.75 -4.66 0.00 3.32 8.00 -0.51 -1.84 116.55 125.61 1ind n ASP 154 Ca -0.17 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 54.86 1ind n ASP 154 Cb 0.48 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1ind n ASP 154 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ind n GLY 155 N -1.42 2.50 3.79 0.44 0.00 -1.26 -5.00 105.19 104.24 1ind n GLY 155 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1ind n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ind s THR 156 N -2.38 5.18 -0.12 2.61 2.01 -0.77 -5.03 115.64 117.14 1ind s THR 156 Ca 0.00 0.73 -0.29 0.00 0.31 0.00 0.00 61.69 62.43 1ind s THR 156 Cb 0.00 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1ind s THR 156 CO 0.00 0.48 1.33 -2.84 -0.69 0.00 0.00 174.62 172.90 1ind s PRO 157 N -0.34 4.24 -0.71 4.92 0.02 -1.26 0.59 135.00 142.47 1ind s PRO 157 Ca 0.21 1.77 -0.26 0.00 0.02 0.00 0.00 61.00 62.74 1ind s PRO 157 Cb -0.15 -3.76 0.04 0.00 0.02 0.00 0.00 34.50 30.65 1ind s PRO 157 CO 0.09 -0.69 1.21 0.08 -0.33 0.00 0.00 177.00 177.36 1ind s VAL 158 N 3.35 3.87 -0.21 3.83 1.01 0.13 -4.86 120.40 127.53 1ind s VAL 158 Ca 0.58 0.31 0.27 0.00 0.00 0.00 0.00 61.98 63.15 1ind s VAL 158 Cb -0.25 -4.85 0.29 0.00 0.00 0.00 0.00 36.38 31.57 1ind s VAL 158 CO 0.19 -1.72 1.81 0.71 0.00 0.00 0.00 175.10 176.09 1ind h THR 159 N 6.03 0.00 -3.23 3.92 1.35 -1.91 -3.43 112.91 115.64 1ind h THR 159 Ca -0.28 -0.23 -0.06 0.00 -0.55 0.00 0.00 66.41 65.29 1ind h THR 159 Cb 1.05 0.99 -0.15 0.00 -1.73 0.00 0.00 68.15 68.31 1ind h THR 159 CO 1.25 0.00 -0.10 0.00 -0.25 0.00 0.00 175.52 176.42 1ind s GLN 160 N -3.50 0.99 0.00 4.72 1.03 -1.26 -4.92 119.66 116.72 1ind s GLN 160 Ca 0.01 -0.55 0.00 0.00 0.04 0.00 0.00 55.36 54.87 1ind s GLN 160 Cb 0.09 0.44 0.00 0.00 0.03 0.00 0.00 33.01 33.57 1ind s GLN 160 CO 0.39 -0.36 0.00 0.41 -2.54 0.00 0.00 175.29 173.18 1ind n GLY 161 N 0.13 0.80 3.47 2.60 0.00 -1.26 -4.90 105.19 106.02 1ind n GLY 161 Ca -0.17 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1ind n GLY 161 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ind s MET 162 N -0.68 3.69 -0.04 1.61 0.23 -1.26 -0.77 119.30 122.08 1ind s MET 162 Ca 0.00 -0.47 0.07 0.00 -1.03 0.00 0.00 55.69 54.26 1ind s MET 162 Cb 0.00 -3.30 -0.01 0.00 -1.53 0.00 0.00 34.83 29.99 1ind s MET 162 CO 0.00 -0.13 -0.24 -1.21 -2.03 0.00 0.00 175.02 171.42 1ind s GLU 163 N 1.44 2.17 -0.07 3.16 0.41 -0.47 -4.96 118.70 120.37 1ind s GLU 163 Ca 0.05 -0.85 0.02 0.00 -0.41 0.00 0.00 54.97 53.78 1ind s GLU 163 Cb -0.15 -1.96 0.01 0.00 -1.78 0.00 0.00 34.13 30.25 1ind s GLU 163 CO 0.03 0.44 -0.13 0.99 -0.49 0.00 0.00 175.26 176.10 1ind s THR 164 N -0.34 1.24 0.72 3.63 2.01 -1.26 -0.62 115.64 121.02 1ind s THR 164 Ca 0.03 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 1ind s THR 164 Cb -0.11 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.29 1ind s THR 164 CO 0.01 0.38 1.07 0.42 -0.69 0.00 0.00 174.62 175.81 1ind s THR 165 N 0.71 3.80 0.23 -0.82 -4.23 -0.33 -5.01 115.64 110.00 1ind s THR 165 Ca -0.13 0.59 -0.11 0.00 -1.18 0.00 0.00 61.69 60.85 1ind s THR 165 Cb -0.16 -3.24 -0.07 0.00 1.34 0.00 0.00 72.50 70.36 1ind s THR 165 CO 0.03 -0.76 0.58 -1.10 -0.54 0.00 0.00 174.62 172.83 1ind s GLN 166 N -5.00 3.87 0.35 3.99 1.11 -1.26 -4.52 119.66 118.20 1ind s GLN 166 Ca 0.59 0.38 -0.28 0.00 0.01 0.00 0.00 55.36 56.06 1ind s GLN 166 Cb -0.15 -2.66 -0.12 0.00 -1.01 0.00 0.00 33.01 29.07 1ind s GLN 166 CO 0.55 0.32 1.33 -2.30 0.01 0.00 0.00 175.29 175.20 1ind n PRO 167 N -0.01 2.23 -4.08 2.91 -0.02 -1.25 -4.75 135.00 130.03 1ind n PRO 167 Ca 0.00 0.78 -0.16 0.00 -2.02 0.00 0.00 63.50 62.10 1ind n PRO 167 Cb 0.52 -2.39 -0.15 0.00 -0.02 0.00 0.00 33.50 31.46 1ind n PRO 167 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ind s SER 168 N -0.26 0.56 0.97 2.55 1.04 -0.83 -4.93 113.70 112.80 1ind s SER 168 Ca 0.55 -0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.80 1ind s SER 168 Cb -0.55 -0.16 0.18 0.00 0.10 0.00 0.00 66.02 65.58 1ind s SER 168 CO 0.62 -0.00 1.11 -0.54 0.98 0.00 0.00 173.24 175.41 1ind s LYS 169 N 0.35 0.58 0.25 4.02 1.02 -1.26 -1.09 119.74 123.60 1ind s LYS 169 Ca -0.04 1.32 0.08 0.00 0.02 0.00 0.00 55.97 57.35 1ind s LYS 169 Cb -0.07 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.50 1ind s LYS 169 CO -0.00 -2.86 -0.11 -0.65 -0.92 0.00 0.00 175.35 170.81 1ind s GLN 170 N -4.62 1.47 0.37 1.68 -0.21 0.55 -4.77 119.66 114.12 1ind s GLN 170 Ca 0.67 -1.70 0.09 0.00 0.02 0.00 0.00 55.36 54.44 1ind s GLN 170 Cb -0.23 -1.21 0.84 0.00 1.00 0.00 0.00 33.01 33.41 1ind s GLN 170 CO 0.60 0.13 1.90 0.66 -2.12 0.00 0.00 175.29 176.46 1ind h SER 171 N 2.40 0.61 -0.02 5.90 4.64 -1.97 0.53 113.55 125.63 1ind h SER 171 Ca -0.39 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1ind h SER 171 Cb 1.23 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1ind h SER 171 CO 0.64 0.33 0.00 -0.46 -0.87 0.00 0.00 176.83 176.47 1ind n ASN 172 N -4.52 1.05 -1.68 4.97 0.23 -1.26 -4.83 115.26 109.21 1ind n ASN 172 Ca 0.15 -2.02 -0.18 0.00 -0.53 0.00 0.00 54.58 52.00 1ind n ASN 172 Cb 0.42 -0.46 -0.06 0.00 -2.08 0.00 0.00 39.78 37.59 1ind n ASN 172 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ind n ASN 173 N -0.02 -4.71 -2.57 0.53 3.02 0.19 -4.98 115.26 106.71 1ind n ASN 173 Ca 0.01 0.37 -0.05 0.00 -0.03 0.00 0.00 54.58 54.87 1ind n ASN 173 Cb 0.25 -4.18 0.03 0.00 -0.61 0.00 0.00 39.78 35.27 1ind n ASN 173 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ind n LYS 174 N -2.30 0.36 -4.18 3.52 5.02 -1.25 -4.74 118.16 114.59 1ind n LYS 174 Ca -0.18 -0.61 -0.11 0.00 -2.02 0.00 0.00 58.31 55.39 1ind n LYS 174 Cb 0.59 -0.17 -0.10 0.00 -0.02 0.00 0.00 35.03 35.33 1ind n LYS 174 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1ind s TYR 175 N -0.66 0.93 0.13 2.13 1.51 -0.78 -0.33 117.35 120.28 1ind s TYR 175 Ca 0.16 -1.02 0.01 0.00 -1.01 0.00 0.00 57.07 55.21 1ind s TYR 175 Cb -0.01 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.25 1ind s TYR 175 CO 0.10 -0.26 -0.02 0.00 -1.11 0.00 0.00 175.55 174.27 1ind s MET 176 N -3.91 0.96 0.03 -0.62 0.23 -0.25 -2.73 119.30 113.02 1ind s MET 176 Ca 0.17 -1.43 -0.28 0.00 -1.03 0.00 0.00 55.69 53.12 1ind s MET 176 Cb 0.06 -0.15 0.09 0.00 -1.53 0.00 0.00 34.83 33.31 1ind s MET 176 CO -0.02 -0.11 0.93 0.00 -2.03 0.00 0.00 175.02 173.80 1ind s ALA 177 N -3.71 -1.80 -0.09 3.16 0.00 -0.69 -1.96 121.76 116.67 1ind s ALA 177 Ca 0.19 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 52.79 1ind s ALA 177 Cb 0.06 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.67 1ind s ALA 177 CO -0.00 -0.80 0.31 -1.54 0.00 0.00 0.00 175.76 173.73 1ind s SER 178 N -2.62 -0.29 0.24 0.00 1.04 -1.26 -0.51 113.70 110.31 1ind s SER 178 Ca 0.08 0.47 0.11 0.00 0.48 0.00 0.00 55.95 57.08 1ind s SER 178 Cb -0.01 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 1ind s SER 178 CO -0.05 -0.21 -0.12 -0.55 0.98 0.00 0.00 173.24 173.28 1ind s SER 179 N -0.29 3.99 0.03 7.02 0.15 0.20 -1.19 113.70 123.61 1ind s SER 179 Ca -0.04 -0.80 0.05 0.00 0.70 0.00 0.00 55.95 55.85 1ind s SER 179 Cb -0.03 -0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 63.71 1ind s SER 179 CO 0.02 0.05 -0.14 -0.31 1.20 0.00 0.00 173.24 174.06 1ind s TYR 180 N -2.18 1.20 -0.18 3.44 2.02 0.21 -0.90 117.35 120.96 1ind s TYR 180 Ca 0.28 -0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 56.63 1ind s TYR 180 Cb -0.07 -0.72 0.05 0.00 -0.40 0.00 0.00 41.96 40.83 1ind s TYR 180 CO 0.16 0.02 -0.00 -1.17 -1.57 0.00 0.00 175.55 172.99 1ind s LEU 181 N -1.02 1.44 -0.02 -1.29 2.96 -0.81 -1.37 118.68 118.58 1ind s LEU 181 Ca 0.02 -0.76 0.02 0.00 -0.22 0.00 0.00 54.13 53.19 1ind s LEU 181 Cb -0.07 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 1ind s LEU 181 CO 0.01 -0.25 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.85 1ind s THR 182 N 1.74 3.80 0.27 3.68 2.01 0.05 -1.23 115.64 125.97 1ind s THR 182 Ca -0.01 -0.64 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 1ind s THR 182 Cb -0.16 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1ind s THR 182 CO -0.07 0.45 0.38 -0.76 -0.69 0.00 0.00 174.62 173.93 1ind s LEU 183 N -1.27 0.84 0.39 4.42 1.43 -0.94 -4.72 118.68 118.83 1ind s LEU 183 Ca 0.16 -1.28 -0.00 0.00 -1.03 0.00 0.00 54.13 51.98 1ind s LEU 183 Cb -0.11 1.26 -0.03 0.00 0.03 0.00 0.00 46.19 47.34 1ind s LEU 183 CO 0.06 -1.12 0.61 0.42 0.23 0.00 0.00 176.35 176.55 1ind s THR 184 N -3.68 4.78 0.53 5.49 -4.23 -1.26 -1.36 115.64 115.91 1ind s THR 184 Ca 0.30 -0.41 0.36 0.00 -1.18 0.00 0.00 61.69 60.76 1ind s THR 184 Cb 0.01 -3.76 0.38 0.00 1.34 0.00 0.00 72.50 70.48 1ind s THR 184 CO 0.15 -0.53 2.23 0.00 -0.54 0.00 0.00 174.62 175.93 1ind h ALA 185 N 0.60 1.21 0.00 3.99 0.00 -1.75 -2.14 119.26 121.17 1ind h ALA 185 Ca -0.48 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.23 1ind h ALA 185 Cb 1.23 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ind h ALA 185 CO 0.60 0.04 -0.65 0.00 0.00 0.00 0.00 179.25 179.24 1ind h ARG 186 N 0.00 0.43 0.52 0.00 -0.00 -1.93 -2.87 114.38 110.54 1ind h ARG 186 Ca -0.00 -0.47 -0.02 0.00 -0.50 0.00 0.00 59.98 58.99 1ind h ARG 186 Cb 0.13 0.13 -0.02 0.00 0.00 0.00 0.00 29.97 30.22 1ind h ARG 186 CO 0.00 1.13 -0.48 1.49 0.00 0.00 0.00 179.97 182.11 1ind h GLU 187 N -0.06 -0.95 -0.82 0.04 4.57 -1.79 -2.67 114.58 112.89 1ind h GLU 187 Ca -0.08 0.06 0.17 0.00 -1.18 0.00 0.00 59.36 58.34 1ind h GLU 187 Cb 1.36 0.22 -0.15 0.00 -0.16 0.00 0.00 28.75 30.01 1ind h GLU 187 CO 0.13 -0.63 -0.16 2.35 -1.18 0.00 0.00 179.01 179.51 1ind h TRP 188 N -0.99 -0.36 -0.46 0.92 2.91 -1.52 -0.97 115.95 115.48 1ind h TRP 188 Ca -0.07 0.07 0.05 0.00 1.13 0.00 0.00 58.89 60.07 1ind h TRP 188 Cb 0.84 0.29 -0.04 0.00 -0.51 0.00 0.00 29.16 29.74 1ind h TRP 188 CO -0.22 -0.34 0.21 0.93 -1.03 0.00 0.00 178.44 177.98 1ind h GLU 189 N 0.01 0.40 0.00 2.65 5.08 -1.24 -1.98 114.58 119.49 1ind h GLU 189 Ca 0.41 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1ind h GLU 189 Cb 0.66 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1ind h GLU 189 CO -0.83 0.26 0.10 0.54 -1.00 0.00 0.00 179.01 178.09 1ind n ARG 190 N -4.94 0.11 -4.30 2.33 1.74 -0.37 -4.72 116.66 106.50 1ind n ARG 190 Ca 0.04 0.60 -0.19 0.00 -0.77 0.00 0.00 57.85 57.53 1ind n ARG 190 Cb 0.14 -1.98 -0.11 0.00 -1.02 0.00 0.00 32.46 29.50 1ind n ARG 190 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1ind s HIS 191 N -3.43 1.60 0.00 -1.55 3.76 -0.75 -5.07 115.29 109.85 1ind s HIS 191 Ca -0.02 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 1ind s HIS 191 Cb 0.05 -0.79 0.00 0.00 1.11 0.00 0.00 32.58 32.95 1ind s HIS 191 CO 0.16 0.26 0.09 -1.13 -0.85 0.00 0.00 174.74 173.26 1ind n SER 192 N 0.07 0.18 -4.09 1.40 3.41 -1.26 -4.71 113.62 108.62 1ind n SER 192 Ca -0.12 -0.52 -0.27 0.00 -0.26 0.00 0.00 58.87 57.70 1ind n SER 192 Cb 0.59 0.52 -0.17 0.00 -0.26 0.00 0.00 64.21 64.89 1ind n SER 192 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ind s SER 193 N -0.52 2.29 -0.05 4.04 0.01 -1.26 0.18 113.70 118.39 1ind s SER 193 Ca 0.00 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.88 1ind s SER 193 Cb 0.00 -1.05 0.02 0.00 0.21 0.00 0.00 66.02 65.20 1ind s SER 193 CO 0.00 0.07 -0.07 -0.31 0.41 0.00 0.00 173.24 173.34 1ind s TYR 194 N 0.63 0.94 -0.03 2.43 2.02 0.36 -1.43 117.35 122.27 1ind s TYR 194 Ca -0.14 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.24 1ind s TYR 194 Cb -0.16 -0.76 0.01 0.00 -0.40 0.00 0.00 41.96 40.64 1ind s TYR 194 CO 0.04 -0.20 0.08 0.45 -1.57 0.00 0.00 175.55 174.35 1ind s SER 195 N 0.77 -0.07 -0.28 2.29 0.15 0.99 -0.75 113.70 116.81 1ind s SER 195 Ca -0.12 0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.67 1ind s SER 195 Cb -0.14 0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1ind s SER 195 CO 0.01 -0.04 -0.04 0.00 1.20 0.00 0.00 173.24 174.37 1ind s GLN 197 N 1.25 3.26 -0.20 0.00 -2.07 0.12 -1.72 119.66 120.30 1ind s GLN 197 Ca -0.04 -0.72 -0.04 0.00 -1.82 0.00 0.00 55.36 52.74 1ind s GLN 197 Cb -0.19 -2.66 -0.01 0.00 -1.09 0.00 0.00 33.01 29.06 1ind s GLN 197 CO -0.03 0.03 -0.05 0.08 -1.32 0.00 0.00 175.29 174.01 1ind s VAL 198 N 0.79 3.44 -0.09 3.63 1.01 0.85 -0.19 120.40 129.84 1ind s VAL 198 Ca -0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1ind s VAL 198 Cb -0.15 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1ind s VAL 198 CO 0.01 0.44 0.01 0.42 0.00 0.00 0.00 175.10 175.98 1ind s THR 199 N 1.23 4.42 -0.15 3.92 -4.23 0.12 0.21 115.64 121.16 1ind s THR 199 Ca 0.03 -0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.29 1ind s THR 199 Cb -0.14 -2.87 0.07 0.00 1.34 0.00 0.00 72.50 70.90 1ind s THR 199 CO -0.01 0.61 0.27 -2.28 -0.54 0.00 0.00 174.62 172.67 1ind s HIS 200 N -0.88 -0.45 -1.50 3.99 5.04 0.99 -1.99 115.29 120.49 1ind s HIS 200 Ca 0.13 0.89 -0.04 0.00 -1.54 0.00 0.00 55.06 54.50 1ind s HIS 200 Cb -0.11 -0.06 0.03 0.00 0.04 0.00 0.00 32.58 32.48 1ind s HIS 200 CO 0.02 -0.42 0.40 0.39 -2.34 0.00 0.00 174.74 172.79 1ind n GLU 201 N 5.35 -2.72 0.00 2.88 -0.58 -1.26 -1.96 120.64 122.35 1ind n GLU 201 Ca -0.06 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1ind n GLU 201 Cb 0.50 -4.44 0.00 0.00 -0.57 0.00 0.00 31.44 26.93 1ind n GLU 201 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ind n GLY 202 N -1.99 2.12 3.69 0.62 0.00 -1.26 -4.99 105.19 103.39 1ind n GLY 202 Ca -0.24 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1ind n GLY 202 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ind s HIS 203 N -0.65 3.52 -0.24 1.61 3.76 -0.83 -5.03 115.29 117.43 1ind s HIS 203 Ca 0.00 1.52 -0.09 0.00 -0.15 0.00 0.00 55.06 56.34 1ind s HIS 203 Cb 0.00 -3.12 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 1ind s HIS 203 CO 0.00 -0.18 0.12 0.99 -0.85 0.00 0.00 174.74 174.82 1ind s THR 204 N 1.83 4.89 -0.15 1.30 2.01 -1.26 -0.01 115.64 124.26 1ind s THR 204 Ca 0.46 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.47 1ind s THR 204 Cb -0.18 -3.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 1ind s THR 204 CO 0.18 0.34 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.64 1ind s VAL 205 N 1.30 3.05 -0.17 3.82 1.01 0.13 -4.96 120.40 124.58 1ind s VAL 205 Ca 0.06 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1ind s VAL 205 Cb -0.15 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.96 1ind s VAL 205 CO 0.05 0.51 -0.16 -0.70 0.00 0.00 0.00 175.10 174.80 1ind s GLU 206 N 0.62 2.50 -0.21 2.72 2.12 -1.26 -0.10 118.70 125.09 1ind s GLU 206 Ca -0.07 -0.69 -0.06 0.00 0.36 0.00 0.00 54.97 54.51 1ind s GLU 206 Cb -0.15 -2.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.90 1ind s GLU 206 CO 0.03 -0.25 0.02 0.15 -0.54 0.00 0.00 175.26 174.66 1ind s LYS 207 N 1.40 3.64 0.45 4.30 3.01 -0.70 -5.01 119.74 126.84 1ind s LYS 207 Ca 0.04 -0.50 0.03 0.00 -1.01 0.00 0.00 55.97 54.53 1ind s LYS 207 Cb -0.13 -3.14 -0.03 0.00 -1.01 0.00 0.00 37.83 33.51 1ind s LYS 207 CO -0.11 -0.02 0.04 -1.12 0.51 0.00 0.00 175.35 174.64 1ind s SER 208 N 1.11 3.61 -0.26 2.83 0.01 -1.26 -1.39 113.70 118.35 1ind s SER 208 Ca 0.03 -1.57 -0.25 0.00 1.31 0.00 0.00 55.95 55.46 1ind s SER 208 Cb -0.14 0.27 0.09 0.00 0.21 0.00 0.00 66.02 66.45 1ind s SER 208 CO 0.02 -0.76 0.84 -1.48 0.41 0.00 0.00 173.24 172.27 1ind s LEU 209 N -3.75 -0.63 -0.14 2.44 0.05 0.07 -4.99 118.68 111.75 1ind s LEU 209 Ca 0.19 1.18 -0.04 0.00 0.05 0.00 0.00 54.13 55.50 1ind s LEU 209 Cb 0.04 2.24 -0.03 0.00 -2.05 0.00 0.00 46.19 46.39 1ind s LEU 209 CO 0.10 -0.23 -0.00 -0.55 -0.55 0.00 0.00 176.35 175.11 1ind s SER 210 N 0.22 5.12 -0.13 1.48 0.15 -1.26 0.13 113.70 119.42 1ind s SER 210 Ca 0.01 0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.65 1ind s SER 210 Cb -0.05 -1.71 -0.25 0.00 -1.71 0.00 0.00 66.02 62.30 1ind s SER 210 CO -0.01 0.24 0.34 -1.14 1.20 0.00 0.00 173.24 173.87 1ind n ARG 211 N 3.06 0.72 0.00 5.44 0.63 0.49 -4.96 116.66 122.04 1ind n ARG 211 Ca -0.18 0.25 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1ind n ARG 211 Cb 0.53 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 31.74 1ind n ARG 211 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12