#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1d s VAL 2 N 0.00 1.06 0.08 2.53 -7.23 -0.63 -5.01 120.40 111.19 3n1d s VAL 2 Ca 0.00 -1.88 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 3n1d s VAL 2 Cb 0.00 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 3n1d s VAL 2 CO 0.00 -0.67 -0.08 -0.44 -0.31 0.00 0.00 175.10 173.60 3n1d s SER 3 N -2.85 1.18 -0.11 4.85 0.01 -1.26 -0.40 113.70 115.12 3n1d s SER 3 Ca 0.12 -0.79 -0.06 0.00 1.31 0.00 0.00 55.95 56.53 3n1d s SER 3 Cb 0.00 0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.32 3n1d s SER 3 CO 0.00 -0.30 0.25 0.12 0.41 0.00 0.00 173.24 173.72 3n1d s PHE 4 N -2.45 -0.34 -0.16 2.43 5.36 -0.31 -4.79 117.98 117.72 3n1d s PHE 4 Ca 0.02 0.80 -0.02 0.00 -0.96 0.00 0.00 56.93 56.77 3n1d s PHE 4 Cb -0.03 0.07 -0.02 0.00 -0.34 0.00 0.00 43.02 42.70 3n1d s PHE 4 CO -0.01 -0.23 -0.07 1.03 -1.46 0.00 0.00 175.22 174.48 3n1d s ARG 5 N 1.12 3.52 0.28 10.12 0.52 -1.26 -1.13 118.95 132.11 3n1d s ARG 5 Ca -0.08 -0.60 0.15 0.00 -0.52 0.00 0.00 55.73 54.68 3n1d s ARG 5 Cb -0.09 -2.83 0.25 0.00 0.52 0.00 0.00 34.95 32.80 3n1d s ARG 5 CO -0.08 0.15 1.53 -0.07 0.02 0.00 0.00 175.30 176.85 3n1d h LEU 6 N 6.96 0.00 -9.02 2.53 -0.00 -1.29 -3.35 115.31 111.15 3n1d h LEU 6 Ca -0.31 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.00 3n1d h LEU 6 Cb 1.19 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.83 3n1d h LEU 6 CO 0.60 0.55 1.14 -0.55 -0.00 0.00 0.00 178.44 180.18 3n1d s SER 7 N -6.52 6.32 0.00 -0.43 0.15 -1.26 -1.76 113.70 110.20 3n1d s SER 7 Ca 0.02 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.25 3n1d s SER 7 Cb 0.09 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3n1d s SER 7 CO 0.74 -1.31 0.00 0.61 1.20 0.00 0.00 173.24 174.48 3n1d n GLY 8 N 4.75 0.68 3.75 9.45 0.00 -1.26 -5.02 105.19 117.54 3n1d n GLY 8 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3n1d n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1d s ALA 9 N -2.59 2.67 0.28 4.61 0.00 -0.72 -4.98 121.76 121.03 3n1d s ALA 9 Ca 0.00 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 3n1d s ALA 9 Cb 0.00 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3n1d s ALA 9 CO 0.00 -1.32 0.40 -0.40 0.00 0.00 0.00 175.76 174.44 3n1d n ASP 10 N -1.29 -1.13 -0.15 0.00 5.75 -1.26 -5.01 116.55 113.45 3n1d n ASP 10 Ca 0.12 -2.48 0.06 0.00 -0.01 0.00 0.00 54.79 52.48 3n1d n ASP 10 Cb 0.47 2.09 0.36 0.00 -1.03 0.00 0.00 41.12 43.00 3n1d n ASP 10 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3n1d h PRO 11 N 0.00 0.72 -0.12 0.11 0.11 -1.96 -1.14 132.00 129.72 3n1d h PRO 11 Ca -0.22 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 3n1d h PRO 11 Cb 0.94 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 3n1d h PRO 11 CO 0.29 0.47 0.04 1.03 -0.21 0.00 0.00 178.00 179.63 3n1d h SER 12 N 0.74 0.18 0.66 -2.05 0.87 -1.97 -0.53 113.55 111.44 3n1d h SER 12 Ca 0.28 -0.20 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 3n1d h SER 12 Cb 0.18 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3n1d h SER 12 CO -0.09 0.33 -0.52 0.77 -0.53 0.00 0.00 176.83 176.80 3n1d h SER 13 N 0.02 0.00 -0.39 6.23 4.64 -1.82 -0.53 113.55 121.71 3n1d h SER 13 Ca 0.04 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 3n1d h SER 13 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3n1d h SER 13 CO -0.00 0.52 0.00 0.22 -0.87 0.00 0.00 176.83 176.70 3n1d h TYR 14 N 0.00 0.74 -0.48 4.77 3.20 -1.18 -1.05 116.97 122.97 3n1d h TYR 14 Ca -0.01 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 3n1d h TYR 14 Cb 0.99 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 3n1d h TYR 14 CO 0.00 0.76 0.22 0.78 -1.64 0.00 0.00 178.16 178.28 3n1d h GLY 15 N 0.50 0.72 1.17 1.82 0.00 -0.54 -1.01 103.07 105.72 3n1d h GLY 15 Ca 0.11 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3n1d h GLY 15 CO 0.02 0.31 0.16 -0.33 0.00 0.00 0.00 176.54 176.70 3n1d h MET 16 N 0.67 1.03 -0.14 4.80 2.86 -0.85 0.58 114.93 123.88 3n1d h MET 16 Ca 0.17 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3n1d h MET 16 Cb 0.08 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3n1d h MET 16 CO -0.02 0.91 0.03 0.35 1.06 0.00 0.00 176.91 179.24 3n1d h PHE 17 N 0.98 0.24 -0.73 -0.22 3.57 -0.44 -0.60 116.94 119.74 3n1d h PHE 17 Ca 0.21 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 3n1d h PHE 17 Cb 0.34 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3n1d h PHE 17 CO 0.02 0.39 0.21 0.82 -2.23 0.00 0.00 178.31 177.53 3n1d h ILE 18 N 0.01 1.26 -0.76 1.41 1.08 -0.99 0.54 117.51 120.06 3n1d h ILE 18 Ca 0.04 -0.93 0.01 0.00 -0.39 0.00 0.00 64.86 63.59 3n1d h ILE 18 Cb 0.28 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 3n1d h ILE 18 CO 0.00 0.36 0.50 0.50 -0.69 0.00 0.00 178.15 178.82 3n1d h LYS 19 N 1.09 1.01 -0.80 2.37 3.64 -0.74 -0.06 116.57 123.09 3n1d h LYS 19 Ca 0.23 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3n1d h LYS 19 Cb 0.33 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 3n1d h LYS 19 CO -0.00 0.68 0.33 -0.44 -2.27 0.00 0.00 179.45 177.75 3n1d h ASP 20 N 1.03 1.10 -0.15 4.20 3.32 -0.55 -0.04 116.42 125.33 3n1d h ASP 20 Ca 0.28 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3n1d h ASP 20 Cb -0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 3n1d h ASP 20 CO -0.06 0.96 0.03 0.25 -1.72 0.00 0.00 179.24 178.71 3n1d h LEU 21 N 1.16 0.24 -0.48 1.55 5.85 -0.48 -0.75 115.31 122.40 3n1d h LEU 21 Ca 0.27 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3n1d h LEU 21 Cb 0.20 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3n1d h LEU 21 CO -0.02 0.42 0.30 0.03 -0.34 0.00 0.00 178.44 178.83 3n1d h ARG 22 N 0.05 0.58 0.00 1.25 3.08 -0.77 -2.29 114.38 116.28 3n1d h ARG 22 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3n1d h ARG 22 Cb 0.28 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3n1d h ARG 22 CO 0.00 0.38 0.00 0.09 -1.07 0.00 0.00 179.97 179.38 3n1d n ASN 23 N -4.80 0.45 0.02 7.04 5.03 -0.05 -2.27 115.26 120.69 3n1d n ASN 23 Ca 0.03 0.59 0.13 0.00 0.87 0.00 0.00 54.58 56.20 3n1d n ASN 23 Cb 0.06 -0.70 0.43 0.00 -1.02 0.00 0.00 39.78 38.55 3n1d n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3n1d n ALA 24 N -1.68 2.72 -2.64 5.41 0.00 -0.31 -4.79 120.51 119.22 3n1d n ALA 24 Ca 0.03 -0.17 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 3n1d n ALA 24 Cb 0.26 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 3n1d n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n1d s LEU 25 N -3.39 4.09 0.52 0.00 1.43 -0.96 -5.01 118.68 115.36 3n1d s LEU 25 Ca 0.12 0.75 -0.19 0.00 -1.03 0.00 0.00 54.13 53.78 3n1d s LEU 25 Cb 0.17 -2.87 -0.07 0.00 0.03 0.00 0.00 46.19 43.45 3n1d s LEU 25 CO 0.61 -0.34 1.05 -2.16 0.23 0.00 0.00 176.35 175.75 3n1d s PRO 26 N 2.29 3.61 0.01 1.29 0.04 -1.26 -5.05 135.00 135.92 3n1d s PRO 26 Ca 0.27 1.33 -0.23 0.00 0.04 0.00 0.00 61.00 62.41 3n1d s PRO 26 Cb -0.16 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.37 3n1d s PRO 26 CO 0.09 -0.59 0.51 -3.38 0.04 0.00 0.00 177.00 173.68 3n1d s HIS 27 N -2.11 -0.43 -0.04 0.56 -3.43 -1.26 -4.02 115.29 104.56 3n1d s HIS 27 Ca 0.67 0.58 0.08 0.00 -0.80 0.00 0.00 55.06 55.58 3n1d s HIS 27 Cb -0.17 0.30 -0.12 0.00 -1.43 0.00 0.00 32.58 31.17 3n1d s HIS 27 CO 0.26 -0.58 0.18 0.25 -2.00 0.00 0.00 174.74 172.85 3n1d n THR 28 N 0.70 0.00 -4.16 -5.38 -2.24 -1.26 -5.03 114.28 96.90 3n1d n THR 28 Ca -0.19 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.28 3n1d n THR 28 Cb 0.59 0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 69.08 3n1d n THR 28 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3n1d s GLU 29 N -2.48 0.81 0.06 -0.78 2.02 -1.26 -5.08 118.70 111.98 3n1d s GLU 29 Ca -0.02 -1.21 0.05 0.00 0.02 0.00 0.00 54.97 53.81 3n1d s GLU 29 Cb 0.05 -0.33 -0.04 0.00 0.10 0.00 0.00 34.13 33.91 3n1d s GLU 29 CO 0.32 0.03 -0.07 0.15 0.02 0.00 0.00 175.26 175.70 3n1d s LYS 30 N -3.21 2.38 -0.18 1.61 1.02 -1.26 -1.31 119.74 118.78 3n1d s LYS 30 Ca 0.07 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.21 3n1d s LYS 30 Cb 0.01 -2.42 0.02 0.00 -0.52 0.00 0.00 37.83 34.91 3n1d s LYS 30 CO -0.02 0.55 -0.20 0.08 -0.92 0.00 0.00 175.35 174.84 3n1d s VAL 31 N -1.12 2.06 -1.63 3.17 1.01 -0.24 -4.59 120.40 119.05 3n1d s VAL 31 Ca 0.20 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 3n1d s VAL 31 Cb -0.11 -1.86 0.12 0.00 0.00 0.00 0.00 36.38 34.53 3n1d s VAL 31 CO 0.11 0.54 0.69 -1.22 0.00 0.00 0.00 175.10 175.22 3n1d n TYR 32 N 4.61 -1.73 -1.14 5.22 4.01 -1.26 -1.56 117.16 125.31 3n1d n TYR 32 Ca -0.21 0.79 -0.05 0.00 -0.16 0.00 0.00 57.90 58.27 3n1d n TYR 32 Cb 0.50 -3.16 -0.02 0.00 -0.31 0.00 0.00 39.34 36.35 3n1d n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n1d n ASN 33 N -2.75 -4.33 -4.39 7.72 5.15 -1.26 -4.97 115.26 110.43 3n1d n ASN 33 Ca -0.03 0.12 -0.34 0.00 -0.60 0.00 0.00 54.58 53.73 3n1d n ASN 33 Cb 0.54 -2.25 -0.14 0.00 -0.53 0.00 0.00 39.78 37.40 3n1d n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3n1d s ILE 34 N -1.93 3.39 0.18 -1.44 1.01 -0.60 -5.02 121.20 116.80 3n1d s ILE 34 Ca 0.00 -0.52 -0.33 0.00 0.00 0.00 0.00 60.65 59.80 3n1d s ILE 34 Cb 0.00 -2.48 -0.14 0.00 0.01 0.00 0.00 42.46 39.85 3n1d s ILE 34 CO 0.00 0.49 1.41 -2.65 0.00 0.00 0.00 174.94 174.19 3n1d n PRO 35 N 3.89 1.78 -3.51 2.79 -0.02 -1.26 -1.08 135.00 137.59 3n1d n PRO 35 Ca -0.18 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 3n1d n PRO 35 Cb 0.52 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 3n1d n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n1d s LEU 36 N 0.51 4.93 0.81 2.45 2.96 -0.43 -1.23 118.68 128.68 3n1d s LEU 36 Ca 0.75 -0.91 -0.13 0.00 -0.22 0.00 0.00 54.13 53.62 3n1d s LEU 36 Cb -0.74 -2.11 0.08 0.00 0.50 0.00 0.00 46.19 43.92 3n1d s LEU 36 CO 0.46 -0.41 1.15 0.18 -1.32 0.00 0.00 176.35 176.40 3n1d n LEU 37 N 5.10 4.11 -4.78 -0.68 4.77 0.14 -4.31 117.00 121.35 3n1d n LEU 37 Ca -0.11 0.58 -0.34 0.00 -0.03 0.00 0.00 56.01 56.11 3n1d n LEU 37 Cb 0.47 -1.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.08 3n1d n LEU 37 CO 0.39 -1.82 0.74 -0.76 -1.33 0.00 0.00 177.39 174.61 3n1d s LEU 38 N -5.27 3.60 0.20 2.23 1.43 -1.26 -4.17 118.68 115.44 3n1d s LEU 38 Ca 0.73 1.99 -0.09 0.00 -1.03 0.00 0.00 54.13 55.73 3n1d s LEU 38 Cb -0.29 -4.56 0.13 0.00 0.03 0.00 0.00 46.19 41.51 3n1d s LEU 38 CO 0.52 -1.25 1.77 -0.65 0.23 0.00 0.00 176.35 176.97 3n1d h PRO 39 N 0.73 1.10 -2.40 1.29 0.11 -1.93 -3.44 132.00 127.47 3n1d h PRO 39 Ca -0.48 -0.19 -0.04 0.00 0.11 0.00 0.00 66.00 65.39 3n1d h PRO 39 Cb 1.24 -0.18 -0.16 0.00 0.11 0.00 0.00 31.00 32.01 3n1d h PRO 39 CO 0.57 0.89 0.20 0.45 -0.21 0.00 0.00 178.00 179.90 3n1d s SER 40 N -6.25 -0.62 -0.02 -2.05 0.15 -1.26 -4.82 113.70 98.82 3n1d s SER 40 Ca -0.13 0.43 -0.01 0.00 0.70 0.00 0.00 55.95 56.95 3n1d s SER 40 Cb 0.15 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 65.04 3n1d s SER 40 CO 0.82 -0.75 0.05 -0.69 1.20 0.00 0.00 173.24 173.87 3n1d s VAL 41 N -2.21 -0.03 -0.00 4.45 1.01 -1.26 -5.07 120.40 117.29 3n1d s VAL 41 Ca -0.06 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 3n1d s VAL 41 Cb -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.25 3n1d s VAL 41 CO 0.01 0.04 0.20 -0.94 0.00 0.00 0.00 175.10 174.41 3n1d s SER 42 N 0.56 6.38 0.52 3.32 1.04 -1.26 -4.55 113.70 119.71 3n1d s SER 42 Ca -0.05 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.75 3n1d s SER 42 Cb -0.06 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.04 3n1d s SER 42 CO -0.02 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.07 3n1d n GLY 43 N 0.92 0.34 0.25 7.32 0.00 -1.26 -3.86 105.19 108.91 3n1d n GLY 43 Ca -0.10 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.17 3n1d n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1d h ALA 44 N -0.52 1.44 0.00 4.61 0.00 -1.94 -2.81 119.26 120.05 3n1d h ALA 44 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3n1d h ALA 44 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3n1d h ALA 44 CO 0.00 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.83 3n1d n GLY 45 N -0.84 -0.93 0.29 0.00 0.00 -1.25 -1.69 105.19 100.76 3n1d n GLY 45 Ca -0.02 -0.05 0.18 0.00 0.00 0.00 0.00 46.02 46.13 3n1d n GLY 45 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3n1d h ARG 46 N 0.00 0.00 -5.07 1.61 2.43 -1.70 -3.44 114.38 108.20 3n1d h ARG 46 Ca 0.00 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.51 3n1d h ARG 46 Cb 0.22 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 29.48 3n1d h ARG 46 CO 0.00 0.01 -0.75 0.71 -1.51 0.00 0.00 179.97 178.43 3n1d s TYR 47 N -3.79 2.90 0.09 2.20 2.02 -0.68 -0.07 117.35 120.01 3n1d s TYR 47 Ca -0.00 -1.00 -0.19 0.00 -0.37 0.00 0.00 57.07 55.51 3n1d s TYR 47 Cb 0.10 -2.02 -0.07 0.00 -0.40 0.00 0.00 41.96 39.57 3n1d s TYR 47 CO 0.52 -0.52 0.57 -1.17 -1.57 0.00 0.00 175.55 173.37 3n1d s LEU 48 N 1.22 4.50 -0.24 -1.29 2.96 1.00 -4.87 118.68 121.95 3n1d s LEU 48 Ca 0.02 1.23 -0.10 0.00 -0.22 0.00 0.00 54.13 55.07 3n1d s LEU 48 Cb -0.14 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.54 3n1d s LEU 48 CO -0.03 0.25 0.15 -0.76 -1.32 0.00 0.00 176.35 174.63 3n1d s LEU 49 N -1.25 4.01 -0.26 -0.68 1.43 -1.26 -0.21 118.68 120.45 3n1d s LEU 49 Ca 0.30 0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.42 3n1d s LEU 49 Cb -0.19 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 43.97 3n1d s LEU 49 CO 0.19 0.05 0.01 -0.32 0.23 0.00 0.00 176.35 176.51 3n1d s MET 50 N 1.13 3.08 -0.32 1.70 1.75 0.18 -1.61 119.30 125.22 3n1d s MET 50 Ca 0.07 -0.84 -0.20 0.00 -1.25 0.00 0.00 55.69 53.48 3n1d s MET 50 Cb -0.14 -3.18 -0.01 0.00 2.84 0.00 0.00 34.83 34.35 3n1d s MET 50 CO 0.05 -0.37 0.59 -1.01 -0.65 0.00 0.00 175.02 173.63 3n1d s HIS 51 N 1.44 3.20 -0.08 4.11 3.76 0.47 -0.48 115.29 127.70 3n1d s HIS 51 Ca 0.03 0.45 0.03 0.00 -0.15 0.00 0.00 55.06 55.41 3n1d s HIS 51 Cb -0.16 -2.98 -0.02 0.00 1.11 0.00 0.00 32.58 30.53 3n1d s HIS 51 CO -0.01 -0.50 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.71 3n1d s LEU 52 N 2.55 2.58 -0.09 0.89 1.43 -0.23 -1.16 118.68 124.65 3n1d s LEU 52 Ca 0.23 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 3n1d s LEU 52 Cb -0.15 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.54 3n1d s LEU 52 CO 0.12 0.25 -0.21 -0.36 0.23 0.00 0.00 176.35 176.39 3n1d s PHE 53 N -0.19 2.28 1.05 0.29 0.40 -0.29 -1.66 117.98 119.87 3n1d s PHE 53 Ca -0.01 -0.90 -0.18 0.00 -0.60 0.00 0.00 56.93 55.24 3n1d s PHE 53 Cb -0.13 -1.55 0.24 0.00 0.51 0.00 0.00 43.02 42.09 3n1d s PHE 53 CO 0.03 -0.37 1.27 0.54 0.70 0.00 0.00 175.22 177.39 3n1d s ASN 54 N 0.38 2.29 0.46 1.36 4.22 -0.05 -1.05 114.94 122.55 3n1d s ASN 54 Ca -0.17 0.32 0.12 0.00 -2.14 0.00 0.00 52.86 51.00 3n1d s ASN 54 Cb -0.17 -0.38 1.06 0.00 1.28 0.00 0.00 41.25 43.04 3n1d s ASN 54 CO 0.07 -3.25 2.08 0.22 -2.04 0.00 0.00 177.10 174.18 3n1d h TYR 55 N -2.00 0.29 0.00 1.54 3.20 -1.88 0.11 116.97 118.23 3n1d h TYR 55 Ca -0.44 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3n1d h TYR 55 Cb 1.24 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.42 3n1d h TYR 55 CO -1.65 0.17 0.00 -0.25 -1.64 0.00 0.00 178.16 174.80 3n1d n ASP 56 N -4.49 0.00 0.00 -2.11 8.00 -1.26 -4.46 116.55 112.23 3n1d n ASP 56 Ca 0.02 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.11 3n1d n ASP 56 Cb 0.14 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 3n1d n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3n1d n GLY 57 N 1.18 0.81 3.77 0.44 0.00 0.37 -5.05 105.19 106.72 3n1d n GLY 57 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3n1d n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n1d s ASN 58 N -2.99 5.51 0.03 1.61 0.01 -1.26 -4.75 114.94 113.11 3n1d s ASN 58 Ca 0.00 2.12 0.02 0.00 -0.71 0.00 0.00 52.86 54.29 3n1d s ASN 58 Cb 0.00 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.07 3n1d s ASN 58 CO 0.00 -1.36 -0.07 0.28 -1.51 0.00 0.00 177.10 174.44 3n1d s THR 59 N -1.96 0.44 0.16 1.60 -1.32 -1.26 -0.87 115.64 112.43 3n1d s THR 59 Ca 0.71 -0.95 0.08 0.00 -1.21 0.00 0.00 61.69 60.32 3n1d s THR 59 Cb -0.23 -0.51 -0.04 0.00 -1.51 0.00 0.00 72.50 70.21 3n1d s THR 59 CO 0.32 -0.35 -0.17 0.27 -2.21 0.00 0.00 174.62 172.48 3n1d s ILE 60 N -1.25 1.71 -0.15 5.08 -4.36 -0.66 -4.42 121.20 117.15 3n1d s ILE 60 Ca -0.10 -1.90 -0.02 0.00 -0.26 0.00 0.00 60.65 58.38 3n1d s ILE 60 Cb -0.09 -1.80 -0.02 0.00 1.25 0.00 0.00 42.46 41.81 3n1d s ILE 60 CO 0.00 -0.36 -0.09 -0.89 0.24 0.00 0.00 174.94 173.84 3n1d s THR 61 N -2.15 3.31 -0.13 8.37 2.01 -0.33 -1.07 115.64 125.65 3n1d s THR 61 Ca 0.15 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 3n1d s THR 61 Cb -0.05 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 3n1d s THR 61 CO 0.06 0.50 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.77 3n1d s VAL 62 N 0.54 3.95 -0.17 3.82 1.01 0.36 -0.05 120.40 129.87 3n1d s VAL 62 Ca -0.06 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 3n1d s VAL 62 Cb -0.15 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 3n1d s VAL 62 CO 0.03 0.52 0.28 0.00 0.00 0.00 0.00 175.10 175.93 3n1d s ALA 63 N 0.03 3.60 -0.06 5.51 0.00 -0.29 -0.64 121.76 129.90 3n1d s ALA 63 Ca 0.01 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.52 3n1d s ALA 63 Cb -0.13 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.62 3n1d s ALA 63 CO 0.03 0.09 -0.17 0.08 0.00 0.00 0.00 175.76 175.78 3n1d s VAL 64 N 0.49 1.49 -0.13 0.00 1.01 0.70 -0.96 120.40 123.00 3n1d s VAL 64 Ca 0.15 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 3n1d s VAL 64 Cb -0.13 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3n1d s VAL 64 CO 0.03 0.43 1.22 -0.62 0.00 0.00 0.00 175.10 176.16 3n1d s ASP 65 N 0.32 7.00 0.00 3.32 -1.08 -0.38 -0.00 116.67 125.84 3n1d s ASP 65 Ca -0.11 1.70 0.20 0.00 -0.52 0.00 0.00 52.55 53.82 3n1d s ASP 65 Cb -0.15 -2.55 0.86 0.00 -1.46 0.00 0.00 42.92 39.63 3n1d s ASP 65 CO 0.04 -0.69 1.63 1.33 0.52 0.00 0.00 175.17 178.01 3n1d n VAL 66 N 5.09 0.62 0.12 1.11 0.24 0.90 -0.52 118.33 125.89 3n1d n VAL 66 Ca 0.13 0.15 0.04 0.00 -2.04 0.00 0.00 64.34 62.62 3n1d n VAL 66 Cb 0.45 -0.82 0.01 0.00 -1.47 0.00 0.00 33.84 32.02 3n1d n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3n1d h THR 67 N 0.00 0.52 0.00 3.34 1.35 -1.85 -3.41 112.91 112.87 3n1d h THR 67 Ca 0.00 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 3n1d h THR 67 Cb 0.32 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3n1d h THR 67 CO 0.00 0.30 0.00 -0.46 -0.25 0.00 0.00 175.52 175.11 3n1d n ASN 68 N -3.04 0.00 -1.30 5.36 0.23 -1.12 -4.57 115.26 110.82 3n1d n ASN 68 Ca -0.01 -1.00 -0.14 0.00 -0.53 0.00 0.00 54.58 52.90 3n1d n ASN 68 Cb 0.71 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.37 3n1d n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3n1d n VAL 69 N 0.00 -0.28 -3.21 3.53 0.31 0.33 -4.98 118.33 114.03 3n1d n VAL 69 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 3n1d n VAL 69 Cb 0.28 -1.79 -0.05 0.00 -0.91 0.00 0.00 33.84 31.37 3n1d n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3n1d s TYR 70 N -2.60 3.58 0.14 3.52 2.02 -1.22 -4.81 117.35 117.98 3n1d s TYR 70 Ca 0.00 1.08 -0.30 0.00 -0.37 0.00 0.00 57.07 57.48 3n1d s TYR 70 Cb 0.00 -2.64 -0.07 0.00 -0.40 0.00 0.00 41.96 38.86 3n1d s TYR 70 CO 0.00 0.20 1.01 0.42 -1.57 0.00 0.00 175.55 175.61 3n1d s ILE 71 N 0.43 4.24 -0.19 2.71 1.01 -1.26 -1.25 121.20 126.89 3n1d s ILE 71 Ca 0.31 1.91 0.13 0.00 0.00 0.00 0.00 60.65 62.99 3n1d s ILE 71 Cb -0.17 -4.22 -0.21 0.00 0.01 0.00 0.00 42.46 37.88 3n1d s ILE 71 CO 0.14 0.32 0.01 0.23 0.00 0.00 0.00 174.94 175.64 3n1d n MET 72 N 2.55 0.96 -3.36 2.79 2.81 -0.14 -4.93 117.12 117.80 3n1d n MET 72 Ca 0.02 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 3n1d n MET 72 Cb 0.48 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 3n1d n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n1d n GLY 73 N 1.99 -1.33 3.45 3.03 0.00 -1.24 -2.10 105.19 108.99 3n1d n GLY 73 Ca -0.32 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 3n1d n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3n1d s TYR 74 N -2.92 -0.55 -0.10 1.61 1.13 0.01 -1.14 117.35 115.39 3n1d s TYR 74 Ca 0.00 0.52 0.01 0.00 -1.41 0.00 0.00 57.07 56.20 3n1d s TYR 74 Cb 0.00 0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 41.36 3n1d s TYR 74 CO 0.00 -0.76 -0.14 -1.17 -2.51 0.00 0.00 175.55 170.96 3n1d s LEU 75 N -2.32 2.67 -0.20 -3.49 2.96 0.92 -0.30 118.68 118.92 3n1d s LEU 75 Ca -0.02 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3n1d s LEU 75 Cb -0.01 -1.57 0.06 0.00 0.50 0.00 0.00 46.19 45.17 3n1d s LEU 75 CO -0.07 0.23 0.04 0.00 -1.32 0.00 0.00 176.35 175.22 3n1d s ALA 76 N -0.02 1.02 0.00 5.97 0.00 0.08 -1.18 121.76 127.63 3n1d s ALA 76 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3n1d s ALA 76 Cb -0.14 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.79 3n1d s ALA 76 CO 0.04 -1.19 0.00 -0.11 0.00 0.00 0.00 175.76 174.50 3n1d n LEU 77 N 5.04 0.00 -1.00 0.00 7.94 -1.26 -2.10 117.00 125.62 3n1d n LEU 77 Ca -0.09 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.89 3n1d n LEU 77 Cb 0.47 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.66 3n1d n LEU 77 CO 0.13 0.00 0.71 0.35 -1.11 0.00 0.00 177.39 177.46 3n1d n THR 78 N 0.00 1.24 -5.10 1.96 -2.24 -1.26 -4.89 114.28 104.00 3n1d n THR 78 Ca 0.00 -1.11 -0.32 0.00 -2.27 0.00 0.00 64.05 60.35 3n1d n THR 78 Cb 0.00 0.38 -0.16 0.00 -2.10 0.00 0.00 70.33 68.45 3n1d n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3n1d s THR 79 N -1.29 2.39 0.09 4.28 2.01 -0.89 -0.37 115.64 121.85 3n1d s THR 79 Ca 0.36 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 3n1d s THR 79 Cb 0.21 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 3n1d s THR 79 CO 0.21 0.56 0.29 -0.94 -0.69 0.00 0.00 174.62 174.05 3n1d s SER 80 N 0.09 6.43 -0.05 3.53 1.04 -0.56 -0.74 113.70 123.44 3n1d s SER 80 Ca -0.10 0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.78 3n1d s SER 80 Cb -0.16 -2.03 0.01 0.00 0.10 0.00 0.00 66.02 63.95 3n1d s SER 80 CO 0.06 0.12 -0.09 -0.31 0.98 0.00 0.00 173.24 174.00 3n1d s TYR 81 N -1.56 1.07 0.04 5.02 1.51 0.58 -0.35 117.35 123.67 3n1d s TYR 81 Ca 0.37 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 56.14 3n1d s TYR 81 Cb -0.13 -0.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.88 3n1d s TYR 81 CO 0.26 -0.19 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.31 3n1d s PHE 82 N 0.60 1.11 0.80 2.71 0.08 -0.69 -0.81 117.98 121.77 3n1d s PHE 82 Ca -0.10 -0.38 -0.13 0.00 0.12 0.00 0.00 56.93 56.43 3n1d s PHE 82 Cb -0.13 -0.65 0.08 0.00 -0.57 0.00 0.00 43.02 41.74 3n1d s PHE 82 CO 0.02 0.02 1.19 -0.06 -0.10 0.00 0.00 175.22 176.29 3n1d s PHE 83 N -0.98 1.89 -1.22 0.36 0.08 -0.89 -0.24 117.98 116.97 3n1d s PHE 83 Ca -0.01 1.66 -0.14 0.00 0.12 0.00 0.00 56.93 58.57 3n1d s PHE 83 Cb -0.08 -3.44 0.16 0.00 -0.57 0.00 0.00 43.02 39.09 3n1d s PHE 83 CO 0.01 -2.72 1.49 -1.71 -0.10 0.00 0.00 175.22 172.19 3n1d n ASN 84 N -3.26 5.19 -3.53 1.36 4.05 0.11 -4.41 115.26 114.78 3n1d n ASN 84 Ca 0.13 -2.98 -0.16 0.00 0.45 0.00 0.00 54.58 52.02 3n1d n ASN 84 Cb 0.51 -1.58 -0.05 0.00 1.23 0.00 0.00 39.78 39.88 3n1d n ASN 84 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3n1d s GLU 85 N 1.69 0.97 0.40 1.20 -1.05 -1.26 -3.92 118.70 116.73 3n1d s GLU 85 Ca 0.44 0.17 0.09 0.00 -0.15 0.00 0.00 54.97 55.52 3n1d s GLU 85 Cb -0.02 0.45 0.83 0.00 -0.44 0.00 0.00 34.13 34.96 3n1d s GLU 85 CO 0.01 -0.31 1.96 -1.35 0.95 0.00 0.00 175.26 176.51 3n1d h PRO 86 N 2.81 0.30 -0.14 -4.83 0.11 -1.99 -0.94 132.00 127.31 3n1d h PRO 86 Ca -0.25 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 3n1d h PRO 86 Cb 1.16 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3n1d h PRO 86 CO 0.37 0.35 -0.10 0.00 -0.21 0.00 0.00 178.00 178.41 3n1d h ALA 87 N 1.68 1.57 0.16 -0.75 0.00 -1.98 0.59 119.26 120.55 3n1d h ALA 87 Ca 0.07 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.50 3n1d h ALA 87 Cb 0.25 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.99 3n1d h ALA 87 CO 0.01 0.31 -1.30 0.00 0.00 0.00 0.00 179.25 178.27 3n1d h ALA 88 N 1.70 0.00 -0.56 0.00 0.00 -1.55 -1.09 119.26 117.76 3n1d h ALA 88 Ca 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.10 3n1d h ALA 88 Cb 0.31 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3n1d h ALA 88 CO 0.02 0.79 0.28 0.22 0.00 0.00 0.00 179.25 180.55 3n1d h ASP 89 N 0.17 0.73 -0.49 0.00 3.58 -0.84 -1.31 116.42 118.26 3n1d h ASP 89 Ca -0.19 -0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.22 3n1d h ASP 89 Cb 1.99 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 42.79 3n1d h ASP 89 CO 0.24 0.65 0.12 0.25 -2.88 0.00 0.00 179.24 177.61 3n1d h LEU 90 N 0.76 0.06 -1.35 2.28 5.85 -0.84 -2.06 115.31 120.00 3n1d h LEU 90 Ca 0.19 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.08 3n1d h LEU 90 Cb 0.11 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3n1d h LEU 90 CO -0.03 0.06 0.51 0.00 -0.34 0.00 0.00 178.44 178.64 3n1d h ALA 91 N 1.36 1.74 0.00 1.25 0.00 -0.61 -1.23 119.26 121.78 3n1d h ALA 91 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3n1d h ALA 91 Cb 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3n1d h ALA 91 CO -0.30 0.12 0.00 -1.13 0.00 0.00 0.00 179.25 177.94 3n1d n SER 92 N -4.50 0.00 0.10 0.00 3.41 -0.55 -0.26 113.62 111.83 3n1d n SER 92 Ca 0.12 0.46 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 3n1d n SER 92 Cb 0.29 -0.48 0.42 0.00 -0.26 0.00 0.00 64.21 64.18 3n1d n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n1d n GLN 93 N -1.48 0.25 -0.02 4.33 6.02 -0.46 -4.34 117.38 121.68 3n1d n GLN 93 Ca 0.03 0.22 -0.02 0.00 -0.01 0.00 0.00 57.00 57.22 3n1d n GLN 93 Cb 0.12 -1.80 -0.02 0.00 1.02 0.00 0.00 30.24 29.56 3n1d n GLN 93 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3n1d n TYR 94 N -2.24 0.00 -4.58 1.08 4.01 0.65 -5.00 117.16 111.08 3n1d n TYR 94 Ca 0.05 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.49 3n1d n TYR 94 Cb 0.41 -0.15 -0.13 0.00 -0.31 0.00 0.00 39.34 39.17 3n1d n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3n1d s VAL 95 N -2.08 2.68 -1.59 -0.72 -7.23 -0.66 -4.67 120.40 106.13 3n1d s VAL 95 Ca -0.03 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 3n1d s VAL 95 Cb 0.01 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.80 3n1d s VAL 95 CO 0.11 0.26 0.00 0.49 -0.31 0.00 0.00 175.10 175.65 3n1d n PHE 96 N 1.33 -0.68 0.30 2.82 3.72 -1.26 -4.66 117.46 119.03 3n1d n PHE 96 Ca -0.16 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.40 3n1d n PHE 96 Cb 0.52 -3.44 0.76 0.00 -0.94 0.00 0.00 39.48 36.38 3n1d n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n1d h ARG 97 N 0.00 0.00 -0.02 -1.08 2.47 -1.85 -2.20 114.38 111.70 3n1d h ARG 97 Ca -0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 3n1d h ARG 97 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 3n1d h ARG 97 CO 0.51 0.00 0.00 -1.13 0.56 0.00 0.00 179.97 179.91 3n1d n SER 98 N -2.76 0.53 -4.73 7.04 3.41 -1.26 -4.87 113.62 110.97 3n1d n SER 98 Ca -0.00 -1.25 -0.42 0.00 -0.26 0.00 0.00 58.87 56.94 3n1d n SER 98 Cb 0.19 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3n1d n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n1d n ALA 99 N -0.55 1.74 0.23 7.33 0.00 -0.83 -4.91 120.51 123.52 3n1d n ALA 99 Ca 0.21 0.35 0.10 0.00 0.00 0.00 0.00 53.44 54.10 3n1d n ALA 99 Cb 0.18 -2.32 0.54 0.00 0.00 0.00 0.00 19.45 17.85 3n1d n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n1d h ARG 100 N 2.78 0.00 -2.90 0.00 3.08 -1.05 -3.45 114.38 112.85 3n1d h ARG 100 Ca -0.48 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.48 3n1d h ARG 100 Cb 1.27 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.14 3n1d h ARG 100 CO 0.64 0.22 -0.12 -0.98 -1.07 0.00 0.00 179.97 178.66 3n1d s ARG 101 N -3.92 0.86 -0.19 0.04 1.70 -1.16 -5.07 118.95 111.22 3n1d s ARG 101 Ca -0.01 -0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.01 3n1d s ARG 101 Cb 0.12 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.90 3n1d s ARG 101 CO 0.63 -0.28 -0.17 0.21 -1.08 0.00 0.00 175.30 174.62 3n1d s LYS 102 N -1.97 3.07 -0.16 3.89 2.20 -1.26 -1.49 119.74 124.02 3n1d s LYS 102 Ca -0.08 -0.79 -0.05 0.00 -0.36 0.00 0.00 55.97 54.68 3n1d s LYS 102 Cb -0.02 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.61 3n1d s LYS 102 CO 0.01 -0.20 0.02 0.42 -0.36 0.00 0.00 175.35 175.25 3n1d s ILE 103 N 1.30 4.47 -0.24 5.43 1.01 0.52 -4.98 121.20 128.71 3n1d s ILE 103 Ca 0.05 -0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.35 3n1d s ILE 103 Cb -0.13 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 3n1d s ILE 103 CO -0.10 0.50 0.57 -0.89 0.00 0.00 0.00 174.94 175.01 3n1d s THR 104 N 0.15 5.04 0.96 2.92 2.01 -1.26 -1.71 115.64 123.75 3n1d s THR 104 Ca 0.02 1.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.92 3n1d s THR 104 Cb -0.13 -3.88 0.10 0.00 0.01 0.00 0.00 72.50 68.60 3n1d s THR 104 CO 0.01 0.08 0.69 0.18 -0.69 0.00 0.00 174.62 174.89 3n1d n LEU 105 N 5.47 0.88 -1.73 4.42 4.77 0.67 -4.89 117.00 126.58 3n1d n LEU 105 Ca -0.03 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.14 3n1d n LEU 105 Cb 0.49 -1.29 0.14 0.00 -2.33 0.00 0.00 43.42 40.43 3n1d n LEU 105 CO 0.42 -3.04 0.95 -0.81 -1.33 0.00 0.00 177.39 173.58 3n1d n PRO 106 N -2.86 2.10 -3.55 3.23 -0.04 -1.26 -3.93 135.00 128.68 3n1d n PRO 106 Ca 0.08 -1.97 -0.13 0.00 -0.04 0.00 0.00 63.50 61.44 3n1d n PRO 106 Cb 0.54 -1.81 -0.04 0.00 -0.04 0.00 0.00 33.50 32.15 3n1d n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3n1d s TYR 107 N -2.14 -0.40 1.04 0.54 -0.85 -1.26 -5.00 117.35 109.27 3n1d s TYR 107 Ca 0.37 0.30 -0.17 0.00 -0.52 0.00 0.00 57.07 57.05 3n1d s TYR 107 Cb 0.30 0.37 0.23 0.00 0.38 0.00 0.00 41.96 43.25 3n1d s TYR 107 CO 0.08 -0.70 1.28 -1.54 -1.52 0.00 0.00 175.55 173.15 3n1d s SER 108 N -2.34 2.43 0.00 -0.18 1.04 -1.25 -0.71 113.70 112.69 3n1d s SER 108 Ca -0.02 0.30 0.23 0.00 0.48 0.00 0.00 55.95 56.94 3n1d s SER 108 Cb -0.00 -0.35 0.88 0.00 0.10 0.00 0.00 66.02 66.65 3n1d s SER 108 CO -0.07 -3.16 1.63 0.61 0.98 0.00 0.00 173.24 173.23 3n1d n GLY 109 N -3.11 0.11 3.89 7.32 0.00 -1.26 -4.39 105.19 107.75 3n1d n GLY 109 Ca 0.15 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 3n1d n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1d s ASN 110 N -1.70 6.37 0.25 1.61 2.20 -1.26 -4.86 114.94 117.54 3n1d s ASN 110 Ca 0.34 1.00 -0.05 0.00 -0.94 0.00 0.00 52.86 53.21 3n1d s ASN 110 Cb 0.18 -2.27 0.32 0.00 -2.00 0.00 0.00 41.25 37.48 3n1d s ASN 110 CO 0.28 -0.49 1.88 1.88 -2.94 0.00 0.00 177.10 177.71 3n1d h TYR 111 N 0.70 1.11 -0.50 1.54 0.05 -1.98 0.05 116.97 117.93 3n1d h TYR 111 Ca -0.47 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.34 3n1d h TYR 111 Cb 1.20 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 38.55 3n1d h TYR 111 CO 0.59 0.61 0.33 1.49 -1.05 0.00 0.00 178.16 180.13 3n1d h GLU 112 N 1.12 0.66 -0.16 4.88 4.81 -1.98 -0.34 114.58 123.57 3n1d h GLU 112 Ca 0.38 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.41 3n1d h GLU 112 Cb 0.07 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3n1d h GLU 112 CO -0.14 0.44 -0.59 0.00 -0.73 0.00 0.00 179.01 177.99 3n1d h ARG 113 N 0.67 0.51 -0.44 1.92 2.47 -1.72 -1.90 114.38 115.90 3n1d h ARG 113 Ca 0.18 -0.34 -0.05 0.00 -1.26 0.00 0.00 59.98 58.51 3n1d h ARG 113 Cb -0.07 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 3n1d h ARG 113 CO -0.04 0.95 0.09 -0.07 0.56 0.00 0.00 179.97 181.46 3n1d h LEU 114 N 0.39 0.69 -0.98 3.04 3.38 -0.87 -1.47 115.31 119.49 3n1d h LEU 114 Ca -0.00 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 3n1d h LEU 114 Cb 1.13 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3n1d h LEU 114 CO 0.11 0.76 -0.21 1.56 0.09 0.00 0.00 178.44 180.74 3n1d h GLN 115 N 0.59 0.49 -0.17 1.13 4.20 -0.93 0.36 115.11 120.78 3n1d h GLN 115 Ca 0.14 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3n1d h GLN 115 Cb 0.35 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3n1d h GLN 115 CO 0.00 0.68 0.07 0.82 -0.67 0.00 0.00 178.83 179.74 3n1d h ILE 116 N 0.44 1.15 -0.94 2.54 2.04 -1.19 -0.25 117.51 121.29 3n1d h ILE 116 Ca 0.07 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.50 3n1d h ILE 116 Cb 0.62 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 3n1d h ILE 116 CO 0.04 0.14 0.61 0.00 0.00 0.00 0.00 178.15 178.95 3n1d h ALA 117 N 0.93 1.19 0.00 1.87 0.00 -0.93 -2.42 119.26 119.90 3n1d h ALA 117 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3n1d h ALA 117 Cb 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3n1d h ALA 117 CO -0.01 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3n1d h ALA 118 N 1.34 1.00 0.00 0.00 0.00 -0.68 -3.45 119.26 117.47 3n1d h ALA 118 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3n1d h ALA 118 Cb -0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3n1d h ALA 118 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 3n1d n GLY 119 N 0.77 0.63 3.42 0.00 0.00 -0.14 -4.90 105.19 104.97 3n1d n GLY 119 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 3n1d n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n1d s LYS 120 N -0.12 0.97 0.71 1.61 -2.85 -0.97 -5.04 119.74 114.05 3n1d s LYS 120 Ca 0.00 -0.00 -0.11 0.00 -1.00 0.00 0.00 55.97 54.86 3n1d s LYS 120 Cb 0.00 0.45 0.02 0.00 -2.06 0.00 0.00 37.83 36.24 3n1d s LYS 120 CO 0.00 -0.32 1.08 -1.25 0.10 0.00 0.00 175.35 174.96 3n1d s PRO 121 N -1.65 2.83 0.00 1.78 0.04 -1.26 -4.53 135.00 132.21 3n1d s PRO 121 Ca -0.10 0.65 0.25 0.00 0.04 0.00 0.00 61.00 61.84 3n1d s PRO 121 Cb -0.01 -2.00 1.07 0.00 0.04 0.00 0.00 34.50 33.59 3n1d s PRO 121 CO 0.05 -1.10 1.80 2.89 0.04 0.00 0.00 177.00 180.68 3n1d n ARG 122 N -3.08 0.02 0.16 4.56 1.85 -1.26 -1.20 116.66 117.71 3n1d n ARG 122 Ca 0.07 0.07 0.19 0.00 -1.00 0.00 0.00 57.85 57.18 3n1d n ARG 122 Cb 0.56 -1.50 0.75 0.00 -1.05 0.00 0.00 32.46 31.22 3n1d n ARG 122 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3n1d h GLU 123 N 0.00 0.00 -0.20 2.89 3.07 -1.92 -2.59 114.58 115.83 3n1d h GLU 123 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3n1d h GLU 123 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3n1d h GLU 123 CO 0.00 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.24 3n1d n LYS 124 N -3.45 1.81 -3.76 2.33 5.02 -0.34 -4.67 118.16 115.10 3n1d n LYS 124 Ca 0.05 -1.66 -0.37 0.00 -2.02 0.00 0.00 58.31 54.31 3n1d n LYS 124 Cb 0.57 -1.25 -0.13 0.00 -0.02 0.00 0.00 35.03 34.21 3n1d n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3n1d s ILE 125 N -0.98 4.11 0.46 -0.18 1.01 -0.98 -4.98 121.20 119.67 3n1d s ILE 125 Ca 0.19 -0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.16 3n1d s ILE 125 Cb 0.11 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.49 3n1d s ILE 125 CO 0.15 0.22 1.35 -2.84 0.00 0.00 0.00 174.94 173.82 3n1d s PRO 126 N 1.56 3.64 0.29 2.79 0.02 -1.26 -4.36 135.00 137.67 3n1d s PRO 126 Ca 0.05 2.25 0.06 0.00 0.02 0.00 0.00 61.00 63.37 3n1d s PRO 126 Cb -0.16 -2.56 -0.06 0.00 0.02 0.00 0.00 34.50 31.74 3n1d s PRO 126 CO 0.03 -0.80 -0.02 0.96 -0.33 0.00 0.00 177.00 176.84 3n1d s ILE 127 N -1.27 1.51 -5.00 2.83 -4.36 -0.46 -4.83 121.20 109.62 3n1d s ILE 127 Ca 0.63 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 3n1d s ILE 127 Cb -0.40 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 40.75 3n1d s ILE 127 CO 0.50 -0.21 0.00 0.61 0.24 0.00 0.00 174.94 176.08 3n1d n GLY 128 N -0.62 -0.63 0.26 6.27 0.00 -1.26 -1.34 105.19 107.86 3n1d n GLY 128 Ca -0.05 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 3n1d n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3n1d h LEU 129 N 0.00 0.97 -0.93 0.99 3.38 -1.43 -1.48 115.31 116.82 3n1d h LEU 129 Ca 0.00 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 3n1d h LEU 129 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3n1d h LEU 129 CO 0.00 1.24 -0.03 -0.65 0.09 0.00 0.00 178.44 179.10 3n1d h PRO 130 N 0.72 0.75 -0.35 1.13 0.11 -1.75 -1.23 132.00 131.38 3n1d h PRO 130 Ca 0.06 -0.21 -0.04 0.00 0.11 0.00 0.00 66.00 65.92 3n1d h PRO 130 Cb 0.97 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 3n1d h PRO 130 CO 0.09 0.78 0.04 0.00 -0.21 0.00 0.00 178.00 178.70 3n1d h ALA 131 N 1.27 1.41 -0.31 -0.75 0.00 -1.84 -1.26 119.26 117.78 3n1d h ALA 131 Ca 0.13 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3n1d h ALA 131 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3n1d h ALA 131 CO 0.02 0.42 -0.41 1.25 0.00 0.00 0.00 179.25 180.53 3n1d h LEU 132 N 0.51 0.81 -0.50 0.00 5.85 -0.74 0.47 115.31 121.71 3n1d h LEU 132 Ca 0.11 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3n1d h LEU 132 Cb 0.28 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3n1d h LEU 132 CO 0.00 1.12 0.32 -0.78 -0.34 0.00 0.00 178.44 178.76 3n1d h ASP 133 N 0.62 0.55 -0.74 1.25 3.58 -0.72 -1.12 116.42 119.83 3n1d h ASP 133 Ca 0.05 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3n1d h ASP 133 Cb 0.97 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.85 3n1d h ASP 133 CO 0.09 0.39 0.48 0.74 -2.88 0.00 0.00 179.24 178.07 3n1d h THR 134 N 0.66 1.20 -0.20 2.25 2.02 -0.92 -2.24 112.91 115.67 3n1d h THR 134 Ca 0.19 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 3n1d h THR 134 Cb -0.05 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 3n1d h THR 134 CO -0.06 0.20 -0.07 0.00 0.37 0.00 0.00 175.52 175.95 3n1d h ALA 135 N 1.51 0.28 -0.55 6.16 0.00 -0.03 0.68 119.26 127.32 3n1d h ALA 135 Ca 0.27 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3n1d h ALA 135 Cb -0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3n1d h ALA 135 CO -0.06 0.09 0.28 0.82 0.00 0.00 0.00 179.25 180.39 3n1d h ILE 136 N 0.12 0.96 -0.41 0.00 2.04 -1.11 -1.19 117.51 117.92 3n1d h ILE 136 Ca 0.05 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3n1d h ILE 136 Cb 0.54 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3n1d h ILE 136 CO 0.03 0.10 0.24 0.28 0.00 0.00 0.00 178.15 178.80 3n1d h SER 137 N 0.55 0.51 -0.59 1.72 0.02 -1.05 -2.43 113.55 112.28 3n1d h SER 137 Ca 0.24 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.18 3n1d h SER 137 Cb 0.14 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 3n1d h SER 137 CO -0.16 0.43 0.31 0.74 -1.14 0.00 0.00 176.83 177.00 3n1d h THR 138 N 0.54 0.95 0.00 -2.27 2.02 -0.47 -2.62 112.91 111.07 3n1d h THR 138 Ca 0.15 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3n1d h THR 138 Cb 0.02 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3n1d h THR 138 CO -0.03 0.11 0.00 -0.07 0.37 0.00 0.00 175.52 175.90 3n1d h LEU 139 N 0.58 0.00 -1.89 2.58 3.38 -0.75 -2.96 115.31 116.26 3n1d h LEU 139 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3n1d h LEU 139 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3n1d h LEU 139 CO -0.18 0.00 -0.12 -0.07 0.09 0.00 0.00 178.44 178.17 3n1d h LEU 140 N 0.00 0.00 -7.88 1.67 3.38 -1.15 -3.42 115.31 107.91 3n1d h LEU 140 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3n1d h LEU 140 Cb 0.32 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.75 3n1d h LEU 140 CO 0.00 0.12 -0.78 -1.00 0.09 0.00 0.00 178.44 176.87 3n1d s HIS 141 N -4.58 0.81 0.12 1.13 3.76 -1.12 -4.84 115.29 110.56 3n1d s HIS 141 Ca -0.04 -0.20 -0.31 0.00 -0.15 0.00 0.00 55.06 54.35 3n1d s HIS 141 Cb 0.15 -0.62 -0.08 0.00 1.11 0.00 0.00 32.58 33.14 3n1d s HIS 141 CO 0.64 -0.12 1.42 -0.47 -0.85 0.00 0.00 174.74 175.37 3n1d s TYR 142 N 0.40 3.19 -0.27 1.40 5.04 -1.26 -4.95 117.35 120.89 3n1d s TYR 142 Ca -0.06 0.88 -0.04 0.00 -2.44 0.00 0.00 57.07 55.42 3n1d s TYR 142 Cb -0.10 -3.73 0.15 0.00 0.35 0.00 0.00 41.96 38.64 3n1d s TYR 142 CO 0.00 -2.58 0.53 0.34 -1.34 0.00 0.00 175.55 172.51 3n1d s ASP 143 N 1.16 -0.80 0.17 4.32 -1.08 -1.26 -5.07 116.67 114.11 3n1d s ASP 143 Ca 0.66 0.84 -0.03 0.00 -0.52 0.00 0.00 52.55 53.50 3n1d s ASP 143 Cb -0.38 1.83 0.04 0.00 -1.46 0.00 0.00 42.92 42.95 3n1d s ASP 143 CO 0.30 -0.26 1.43 0.77 0.52 0.00 0.00 175.17 177.93 3n1d h SER 144 N 8.07 0.57 -0.30 -0.34 4.64 -1.98 0.08 113.55 124.28 3n1d h SER 144 Ca -0.20 -0.36 -0.12 0.00 -0.47 0.00 0.00 61.79 60.64 3n1d h SER 144 Cb 1.14 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3n1d h SER 144 CO 0.22 1.10 -0.27 0.74 -0.87 0.00 0.00 176.83 177.75 3n1d h THR 145 N 0.33 1.30 -0.67 2.95 2.02 -1.98 -2.38 112.91 114.48 3n1d h THR 145 Ca -0.03 -1.43 -0.08 0.00 0.77 0.00 0.00 66.41 65.64 3n1d h THR 145 Cb 1.28 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 69.20 3n1d h THR 145 CO 0.13 0.46 0.11 0.00 0.37 0.00 0.00 175.52 176.59 3n1d h ALA 146 N 0.72 0.89 0.00 6.16 0.00 -1.90 -2.77 119.26 122.36 3n1d h ALA 146 Ca 0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3n1d h ALA 146 Cb 0.83 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3n1d h ALA 146 CO 0.07 0.66 -0.13 0.00 0.00 0.00 0.00 179.25 179.85 3n1d h ALA 147 N 1.05 1.67 -0.33 0.00 0.00 -0.88 -1.99 119.26 118.78 3n1d h ALA 147 Ca 0.20 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3n1d h ALA 147 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3n1d h ALA 147 CO 0.01 0.16 -0.20 0.00 0.00 0.00 0.00 179.25 179.22 3n1d h ALA 148 N 1.87 0.47 -0.46 0.00 0.00 -1.13 0.22 119.26 120.24 3n1d h ALA 148 Ca -0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 3n1d h ALA 148 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3n1d h ALA 148 CO 0.02 0.41 -0.19 0.78 0.00 0.00 0.00 179.25 180.27 3n1d h GLY 149 N 0.49 1.00 0.90 0.00 0.00 -1.56 -0.87 103.07 103.03 3n1d h GLY 149 Ca 0.07 -0.85 0.02 0.00 0.00 0.00 0.00 47.33 46.57 3n1d h GLY 149 CO 0.06 0.78 0.47 0.00 0.00 0.00 0.00 176.54 177.84 3n1d h ALA 150 N 0.97 0.95 -0.29 3.60 0.00 -1.03 -1.20 119.26 122.27 3n1d h ALA 150 Ca 0.11 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3n1d h ALA 150 Cb 0.74 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3n1d h ALA 150 CO 0.06 0.27 -0.37 -0.07 0.00 0.00 0.00 179.25 179.14 3n1d h LEU 151 N 0.92 0.69 -1.10 0.00 3.38 -0.30 0.63 115.31 119.52 3n1d h LEU 151 Ca 0.29 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3n1d h LEU 151 Cb -0.02 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3n1d h LEU 151 CO -0.10 0.99 0.61 -0.07 0.09 0.00 0.00 178.44 179.96 3n1d h LEU 152 N 0.54 1.05 -0.20 1.67 3.38 -0.55 0.62 115.31 121.81 3n1d h LEU 152 Ca 0.05 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3n1d h LEU 152 Cb 0.88 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3n1d h LEU 152 CO 0.08 0.75 -0.14 0.58 0.09 0.00 0.00 178.44 179.80 3n1d h VAL 153 N 1.23 1.32 -0.47 1.22 2.07 -0.86 -2.95 116.25 117.81 3n1d h VAL 153 Ca 0.34 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.62 3n1d h VAL 153 Cb -0.13 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3n1d h VAL 153 CO -0.08 0.38 0.29 0.25 0.02 0.00 0.00 177.57 178.44 3n1d h LEU 154 N 0.14 0.49 -0.75 2.57 5.85 -0.48 -1.16 115.31 121.97 3n1d h LEU 154 Ca 0.04 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3n1d h LEU 154 Cb 0.66 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3n1d h LEU 154 CO 0.04 0.35 0.45 0.40 -0.34 0.00 0.00 178.44 179.34 3n1d h ILE 155 N 0.59 1.21 -0.16 4.05 2.04 -0.93 -2.11 117.51 122.21 3n1d h ILE 155 Ca 0.18 -0.48 -0.20 0.00 1.00 0.00 0.00 64.86 65.36 3n1d h ILE 155 Cb -0.02 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3n1d h ILE 155 CO -0.07 0.23 -0.69 1.56 0.00 0.00 0.00 178.15 179.18 3n1d h GLN 156 N 1.03 0.66 -0.00 2.37 4.20 -1.31 -1.72 115.11 120.34 3n1d h GLN 156 Ca 0.27 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3n1d h GLN 156 Cb -0.03 0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3n1d h GLN 156 CO -0.05 1.12 -0.17 0.25 -0.67 0.00 0.00 178.83 179.31 3n1d n THR 157 N -3.92 0.00 0.01 -0.54 -2.24 -0.47 -2.77 114.28 104.36 3n1d n THR 157 Ca -0.05 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3n1d n THR 157 Cb 0.69 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3n1d n THR 157 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3n1d n THR 158 N -0.93 0.22 0.07 4.28 -2.24 -0.81 -4.71 114.28 110.16 3n1d n THR 158 Ca 0.13 0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.85 3n1d n THR 158 Cb 0.30 -0.97 -0.08 0.00 -2.10 0.00 0.00 70.33 67.49 3n1d n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n1d h ALA 159 N 0.00 -0.11 -0.32 6.98 0.00 -1.56 -1.85 119.26 122.41 3n1d h ALA 159 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3n1d h ALA 159 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3n1d h ALA 159 CO 0.00 -0.52 -0.36 0.93 0.00 0.00 0.00 179.25 179.30 3n1d h GLU 160 N -0.18 0.72 -0.39 0.00 4.39 -1.41 -0.44 114.58 117.26 3n1d h GLU 160 Ca -0.01 -0.35 -0.07 0.00 0.34 0.00 0.00 59.36 59.27 3n1d h GLU 160 Cb 0.15 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 3n1d h GLU 160 CO 0.02 0.96 -0.05 0.00 -1.16 0.00 0.00 179.01 178.78 3n1d h ALA 161 N 1.00 1.19 -0.69 3.43 0.00 -1.60 -1.40 119.26 121.19 3n1d h ALA 161 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3n1d h ALA 161 Cb 0.89 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3n1d h ALA 161 CO 0.08 0.52 0.25 0.00 0.00 0.00 0.00 179.25 180.10 3n1d h ALA 162 N 1.35 0.90 -0.13 0.00 0.00 -0.76 -3.17 119.26 117.45 3n1d h ALA 162 Ca 0.12 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3n1d h ALA 162 Cb 0.45 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3n1d h ALA 162 CO 0.02 0.54 -0.44 0.00 0.00 0.00 0.00 179.25 179.37 3n1d h ARG 163 N 0.99 0.32 -3.73 0.00 3.08 -0.49 -3.42 114.38 111.14 3n1d h ARG 163 Ca 0.23 -0.16 -0.46 0.00 0.07 0.00 0.00 59.98 59.65 3n1d h ARG 163 Cb 0.25 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.92 3n1d h ARG 163 CO -0.01 0.71 -0.77 -0.06 -1.07 0.00 0.00 179.97 178.76 3n1d s PHE 164 N -4.10 0.82 0.42 3.04 0.08 -0.58 -0.31 117.98 117.35 3n1d s PHE 164 Ca -0.05 -0.35 0.15 0.00 0.12 0.00 0.00 56.93 56.80 3n1d s PHE 164 Cb 0.13 -0.89 1.03 0.00 -0.57 0.00 0.00 43.02 42.72 3n1d s PHE 164 CO 0.79 -0.40 1.94 -0.22 -0.10 0.00 0.00 175.22 177.23 3n1d h LYS 165 N 8.30 0.42 -0.78 0.44 3.64 -0.38 -1.43 116.57 126.78 3n1d h LYS 165 Ca -0.20 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 3n1d h LYS 165 Cb 1.12 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 3n1d h LYS 165 CO 0.29 0.28 0.42 -0.92 -2.27 0.00 0.00 179.45 177.24 3n1d h TYR 166 N 0.43 1.08 -0.33 1.91 3.20 -1.91 0.06 116.97 121.41 3n1d h TYR 166 Ca 0.34 -0.03 -0.16 0.00 3.14 0.00 0.00 58.73 62.02 3n1d h TYR 166 Cb 0.74 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 3n1d h TYR 166 CO -0.00 0.76 -0.44 0.82 -1.64 0.00 0.00 178.16 177.66 3n1d h ILE 167 N 1.08 1.28 -0.41 1.81 2.04 -1.58 -0.54 117.51 121.19 3n1d h ILE 167 Ca 0.27 -1.63 0.08 0.00 1.00 0.00 0.00 64.86 64.58 3n1d h ILE 167 Cb 0.05 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 3n1d h ILE 167 CO -0.04 0.53 -0.01 -0.08 0.00 0.00 0.00 178.15 178.56 3n1d h GLU 168 N 0.69 0.10 -0.64 2.37 4.81 -1.12 -0.75 114.58 120.04 3n1d h GLU 168 Ca 0.04 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3n1d h GLU 168 Cb 1.03 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 3n1d h GLU 168 CO 0.10 0.06 0.24 1.96 -0.73 0.00 0.00 179.01 180.64 3n1d h GLN 169 N 0.10 0.94 -0.54 1.92 4.20 -0.72 -0.68 115.11 120.34 3n1d h GLN 169 Ca 0.20 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3n1d h GLN 169 Cb 0.29 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3n1d h GLN 169 CO -0.34 0.78 0.31 1.96 -0.67 0.00 0.00 178.83 180.87 3n1d h GLN 170 N 0.92 0.74 -0.36 1.46 1.08 -0.38 -0.54 115.11 118.03 3n1d h GLN 170 Ca 0.21 -0.08 -0.14 0.00 -1.45 0.00 0.00 58.65 57.20 3n1d h GLN 170 Cb 0.20 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3n1d h GLN 170 CO -0.02 0.55 -0.34 0.82 -0.95 0.00 0.00 178.83 178.89 3n1d h ILE 171 N 0.72 1.28 -0.37 2.54 1.08 -0.62 -2.66 117.51 119.48 3n1d h ILE 171 Ca 0.19 -1.51 -0.01 0.00 -0.39 0.00 0.00 64.86 63.14 3n1d h ILE 171 Cb 0.02 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 3n1d h ILE 171 CO -0.03 0.50 0.19 1.56 -0.69 0.00 0.00 178.15 179.67 3n1d h GLN 172 N 0.68 0.51 0.00 2.37 4.20 -0.61 0.24 115.11 122.49 3n1d h GLN 172 Ca 0.07 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3n1d h GLN 172 Cb 0.90 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 3n1d h GLN 172 CO 0.08 0.39 -0.08 0.93 -0.67 0.00 0.00 178.83 179.49 3n1d h GLU 173 N 0.52 0.00 -0.80 1.46 5.08 -0.83 -2.79 114.58 117.22 3n1d h GLU 173 Ca 0.13 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.96 3n1d h GLU 173 Cb 0.04 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.00 3n1d h GLU 173 CO -0.02 0.08 0.18 0.54 -1.00 0.00 0.00 179.01 178.79 3n1d n ARG 174 N -3.35 2.74 0.14 2.33 1.74 0.05 -4.65 116.66 115.66 3n1d n ARG 174 Ca -0.01 -3.49 -0.01 0.00 -0.77 0.00 0.00 57.85 53.57 3n1d n ARG 174 Cb 0.25 -2.18 0.21 0.00 -1.02 0.00 0.00 32.46 29.72 3n1d n ARG 174 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n1d h ALA 175 N 1.74 1.07 0.00 7.54 0.00 -1.28 -1.37 119.26 126.96 3n1d h ALA 175 Ca 0.47 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3n1d h ALA 175 Cb 1.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3n1d h ALA 175 CO 1.07 0.68 0.00 0.66 0.00 0.00 0.00 179.25 181.66 3n1d n TYR 176 N -3.90 0.00 -3.42 0.00 4.01 -1.26 -4.22 117.16 108.37 3n1d n TYR 176 Ca -0.02 -0.23 -0.03 0.00 -0.16 0.00 0.00 57.90 57.47 3n1d n TYR 176 Cb 0.56 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.51 3n1d n TYR 176 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3n1d s ARG 177 N -0.46 0.46 0.63 -0.72 3.52 -1.24 -4.96 118.95 116.19 3n1d s ARG 177 Ca 0.00 1.00 -0.14 0.00 -0.13 0.00 0.00 55.73 56.46 3n1d s ARG 177 Cb 0.00 0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 33.70 3n1d s ARG 177 CO 0.00 -0.45 1.07 -0.51 -0.81 0.00 0.00 175.30 174.59 3n1d s ASP 178 N 2.74 5.54 -0.05 -2.12 1.01 -1.26 -4.40 116.67 118.12 3n1d s ASP 178 Ca 0.08 1.80 -0.20 0.00 0.71 0.00 0.00 52.55 54.94 3n1d s ASP 178 Cb -0.14 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.31 3n1d s ASP 178 CO -0.18 -1.33 0.45 -0.70 0.21 0.00 0.00 175.17 173.62 3n1d s GLU 179 N -4.33 0.76 0.65 8.23 2.12 -0.45 -4.88 118.70 120.80 3n1d s GLU 179 Ca 0.63 0.08 -0.18 0.00 0.36 0.00 0.00 54.97 55.86 3n1d s GLU 179 Cb -0.16 0.35 -0.01 0.00 0.26 0.00 0.00 34.13 34.57 3n1d s GLU 179 CO 0.42 -0.21 1.19 1.33 -0.54 0.00 0.00 175.26 177.46 3n1d n VAL 180 N 1.43 4.43 -1.83 3.70 0.24 -1.26 -1.35 118.33 123.69 3n1d n VAL 180 Ca -0.19 -0.48 -0.38 0.00 -2.04 0.00 0.00 64.34 61.25 3n1d n VAL 180 Cb 0.56 -1.37 0.04 0.00 -1.47 0.00 0.00 33.84 31.60 3n1d n VAL 180 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3n1d s PRO 181 N -3.26 3.11 0.83 7.34 0.04 -1.26 -4.82 135.00 136.98 3n1d s PRO 181 Ca 0.80 2.15 -0.11 0.00 0.04 0.00 0.00 61.00 63.89 3n1d s PRO 181 Cb -0.38 -2.20 0.09 0.00 0.04 0.00 0.00 34.50 32.05 3n1d s PRO 181 CO 0.43 -1.19 1.10 -1.54 0.04 0.00 0.00 177.00 175.84 3n1d s SER 182 N -1.08 3.90 0.41 6.66 1.04 -1.26 -4.86 113.70 118.51 3n1d s SER 182 Ca 0.73 1.85 0.08 0.00 0.48 0.00 0.00 55.95 59.09 3n1d s SER 182 Cb -0.38 -2.48 0.86 0.00 0.10 0.00 0.00 66.02 64.12 3n1d s SER 182 CO 0.45 -2.42 2.02 0.28 0.98 0.00 0.00 173.24 174.54 3n1d h SER 183 N -1.40 0.37 -0.52 7.02 0.02 -1.94 -1.45 113.55 115.66 3n1d h SER 183 Ca -0.45 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 3n1d h SER 183 Cb 1.25 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 3n1d h SER 183 CO 0.50 0.34 0.24 0.00 -1.14 0.00 0.00 176.83 176.77 3n1d h ALA 184 N 1.72 0.67 -0.11 3.77 0.00 -1.77 -1.31 119.26 122.24 3n1d h ALA 184 Ca 0.11 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3n1d h ALA 184 Cb 0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3n1d h ALA 184 CO -0.01 0.24 -0.13 1.15 0.00 0.00 0.00 179.25 180.50 3n1d h THR 185 N 0.70 0.65 -0.97 0.00 2.02 -1.61 0.25 112.91 113.95 3n1d h THR 185 Ca 0.18 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.43 3n1d h THR 185 Cb 0.13 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 3n1d h THR 185 CO -0.02 0.00 0.62 0.40 0.37 0.00 0.00 175.52 176.89 3n1d h ILE 186 N -0.16 1.06 -0.15 3.11 1.08 -1.20 -0.88 117.51 120.36 3n1d h ILE 186 Ca 0.08 -0.38 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3n1d h ILE 186 Cb 0.28 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 3n1d h ILE 186 CO -0.21 0.20 0.08 -1.28 -0.69 0.00 0.00 178.15 176.26 3n1d h SER 187 N 1.11 0.19 -0.24 1.72 0.87 -0.71 -0.62 113.55 115.87 3n1d h SER 187 Ca 0.43 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 3n1d h SER 187 Cb 0.21 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3n1d h SER 187 CO -0.18 0.22 0.16 -0.07 -0.53 0.00 0.00 176.83 176.42 3n1d h LEU 188 N 0.14 0.28 -0.50 2.23 3.38 -0.68 -0.51 115.31 119.65 3n1d h LEU 188 Ca 0.05 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3n1d h LEU 188 Cb 0.08 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3n1d h LEU 188 CO -0.01 0.21 0.13 -0.33 0.09 0.00 0.00 178.44 178.54 3n1d h GLU 189 N 0.32 0.28 0.00 1.13 5.08 -0.81 -1.27 114.58 119.31 3n1d h GLU 189 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3n1d h GLU 189 Cb -0.03 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3n1d h GLU 189 CO -0.02 0.18 0.00 -0.91 -1.00 0.00 0.00 179.01 177.27 3n1d h ASN 190 N 0.29 0.00 -0.25 1.42 2.35 -0.78 -3.14 115.58 115.47 3n1d h ASN 190 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3n1d h ASN 190 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3n1d h ASN 190 CO -0.29 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.29 3n1d n SER 191 N -2.78 2.90 -0.15 5.81 7.64 -0.23 -4.65 113.62 122.15 3n1d n SER 191 Ca 0.01 -1.85 -0.10 0.00 1.01 0.00 0.00 58.87 57.94 3n1d n SER 191 Cb 0.27 -0.16 -0.00 0.00 -1.01 0.00 0.00 64.21 63.30 3n1d n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3n1d h TRP 192 N 3.36 0.79 -0.33 1.43 7.01 -1.37 0.30 115.95 127.14 3n1d h TRP 192 Ca 0.00 -0.11 -0.04 0.00 2.11 0.00 0.00 58.89 60.85 3n1d h TRP 192 Cb 0.79 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 3n1d h TRP 192 CO 0.16 0.75 0.06 1.03 -2.79 0.00 0.00 178.44 177.65 3n1d h SER 193 N 0.59 0.52 -0.38 2.65 0.87 -1.85 -0.54 113.55 115.41 3n1d h SER 193 Ca 0.13 -0.26 0.01 0.00 -1.23 0.00 0.00 61.79 60.45 3n1d h SER 193 Cb 0.40 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3n1d h SER 193 CO 0.01 0.64 0.23 1.23 -0.53 0.00 0.00 176.83 178.42 3n1d h GLY 194 N 0.38 0.54 0.99 5.77 0.00 -1.81 0.57 103.07 109.51 3n1d h GLY 194 Ca 0.10 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 3n1d h GLY 194 CO 0.01 0.16 0.05 1.41 0.00 0.00 0.00 176.54 178.17 3n1d h LEU 195 N 0.47 0.81 -0.58 3.11 3.38 -0.32 -0.26 115.31 121.92 3n1d h LEU 195 Ca 0.15 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3n1d h LEU 195 Cb -0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3n1d h LEU 195 CO -0.06 0.88 0.36 0.28 0.09 0.00 0.00 178.44 179.99 3n1d h SER 196 N 0.70 0.69 -0.33 -0.43 0.02 -0.81 0.07 113.55 113.47 3n1d h SER 196 Ca 0.15 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3n1d h SER 196 Cb 0.44 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3n1d h SER 196 CO 0.02 0.53 0.04 0.50 -1.14 0.00 0.00 176.83 176.78 3n1d h LYS 197 N 0.78 0.55 -0.27 3.45 3.64 -0.58 -2.41 116.57 121.73 3n1d h LYS 197 Ca 0.21 -0.16 -0.18 0.00 -1.27 0.00 0.00 60.65 59.25 3n1d h LYS 197 Cb -0.04 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3n1d h LYS 197 CO -0.04 0.65 -0.54 1.96 -2.27 0.00 0.00 179.45 179.21 3n1d h GLN 198 N 0.37 0.81 -0.83 1.90 1.08 -0.60 0.16 115.11 118.01 3n1d h GLN 198 Ca 0.10 -0.51 0.07 0.00 -1.45 0.00 0.00 58.65 56.86 3n1d h GLN 198 Cb 0.38 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.80 3n1d h GLN 198 CO 0.01 1.14 0.50 0.82 -0.95 0.00 0.00 178.83 180.35 3n1d h ILE 199 N 0.62 0.99 -0.36 2.54 2.04 -0.99 0.33 117.51 122.68 3n1d h ILE 199 Ca 0.01 -0.30 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 3n1d h ILE 199 Cb 1.14 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3n1d h ILE 199 CO 0.12 0.16 -0.33 1.56 0.00 0.00 0.00 178.15 179.66 3n1d h GLN 200 N 0.88 0.81 0.00 2.37 4.20 -0.89 -3.02 115.11 119.46 3n1d h GLN 200 Ca 0.37 -0.39 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3n1d h GLN 200 Cb 0.23 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 3n1d h GLN 200 CO -0.20 1.02 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.76 3n1d h LEU 201 N 0.68 0.00 -1.32 1.46 3.38 -0.41 -2.48 115.31 116.62 3n1d h LEU 201 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3n1d h LEU 201 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 3n1d h LEU 201 CO 0.08 0.15 -0.13 0.00 0.09 0.00 0.00 178.44 178.63 3n1d h ALA 202 N 1.85 1.04 -2.16 1.53 0.00 -0.80 -3.32 119.26 117.40 3n1d h ALA 202 Ca -0.00 -0.12 -0.57 0.00 0.00 0.00 0.00 54.91 54.22 3n1d h ALA 202 Cb 0.63 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3n1d h ALA 202 CO 0.02 0.16 0.88 -0.65 0.00 0.00 0.00 179.25 179.66 3n1d s GLN 203 N -3.71 4.24 0.00 0.00 -0.21 -0.94 -0.98 119.66 118.08 3n1d s GLN 203 Ca 0.00 1.64 0.00 0.00 0.02 0.00 0.00 55.36 57.03 3n1d s GLN 203 Cb 0.10 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.37 3n1d s GLN 203 CO 0.60 -0.68 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 3n1d n GLY 204 N 3.57 2.22 1.52 3.09 0.00 -1.26 -4.91 105.19 109.43 3n1d n GLY 204 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 3n1d n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3n1d n ASN 205 N 0.00 1.26 -3.33 1.61 4.05 -0.36 -4.99 115.26 113.50 3n1d n ASN 205 Ca 0.00 -2.34 -0.24 0.00 0.45 0.00 0.00 54.58 52.45 3n1d n ASN 205 Cb 0.00 -0.36 0.03 0.00 1.23 0.00 0.00 39.78 40.68 3n1d n ASN 205 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3n1d n ASN 206 N 0.10 -5.28 0.00 1.20 3.02 -1.11 -1.60 115.26 111.59 3n1d n ASN 206 Ca 0.09 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 3n1d n ASN 206 Cb 1.04 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 3n1d n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n1d n GLY 207 N -1.51 1.12 3.74 7.41 0.00 -0.15 -4.99 105.19 110.81 3n1d n GLY 207 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3n1d n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n1d s VAL 208 N -3.50 5.38 0.31 1.61 1.01 -0.63 -1.01 120.40 123.58 3n1d s VAL 208 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 3n1d s VAL 208 Cb 0.00 -3.51 -0.11 0.00 0.00 0.00 0.00 36.38 32.75 3n1d s VAL 208 CO 0.00 0.44 1.56 -0.36 0.00 0.00 0.00 175.10 176.74 3n1d s PHE 209 N 0.28 2.73 0.40 5.22 0.40 0.10 -4.13 117.98 122.98 3n1d s PHE 209 Ca 0.11 0.88 0.10 0.00 -0.60 0.00 0.00 56.93 57.43 3n1d s PHE 209 Cb -0.12 -4.05 0.82 0.00 0.51 0.00 0.00 43.02 40.19 3n1d s PHE 209 CO 0.00 -3.41 1.93 0.00 0.70 0.00 0.00 175.22 174.45 3n1d h ARG 210 N 4.44 0.20 -3.38 0.44 2.47 -1.87 -3.43 114.38 113.26 3n1d h ARG 210 Ca -0.48 -0.04 -0.29 0.00 -1.26 0.00 0.00 59.98 57.91 3n1d h ARG 210 Cb 1.22 -0.03 -0.34 0.00 -1.65 0.00 0.00 29.97 29.17 3n1d h ARG 210 CO 0.76 0.34 -0.68 0.99 0.56 0.00 0.00 179.97 181.94 3n1d s THR 211 N -4.72 -0.08 0.49 2.04 2.01 -1.26 -5.14 115.64 108.97 3n1d s THR 211 Ca -0.05 0.25 -0.23 0.00 0.31 0.00 0.00 61.69 61.96 3n1d s THR 211 Cb 0.15 -0.16 -0.07 0.00 0.01 0.00 0.00 72.50 72.44 3n1d s THR 211 CO 0.73 0.10 1.28 -2.84 -0.69 0.00 0.00 174.62 173.19 3n1d s PRO 212 N 1.35 3.53 -0.15 4.92 0.02 -1.26 -4.95 135.00 138.45 3n1d s PRO 212 Ca -0.06 2.05 -0.05 0.00 0.02 0.00 0.00 61.00 62.96 3n1d s PRO 212 Cb -0.12 -2.41 -0.03 0.00 0.02 0.00 0.00 34.50 31.96 3n1d s PRO 212 CO -0.04 -0.82 0.00 0.99 -0.33 0.00 0.00 177.00 176.80 3n1d s THR 213 N -1.39 4.25 -0.19 0.99 2.01 -0.39 -4.92 115.64 116.00 3n1d s THR 213 Ca 0.66 -0.24 -0.14 0.00 0.31 0.00 0.00 61.69 62.28 3n1d s THR 213 Cb -0.35 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 3n1d s THR 213 CO 0.43 0.50 0.30 -0.69 -0.69 0.00 0.00 174.62 174.47 3n1d s VAL 214 N 0.15 5.28 0.19 3.82 1.01 -1.26 0.08 120.40 129.67 3n1d s VAL 214 Ca 0.01 0.53 0.09 0.00 0.00 0.00 0.00 61.98 62.62 3n1d s VAL 214 Cb -0.13 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3n1d s VAL 214 CO 0.02 0.34 -0.19 -0.76 0.00 0.00 0.00 175.10 174.51 3n1d s LEU 215 N 0.84 2.48 -0.07 3.92 1.43 0.03 -4.95 118.68 122.36 3n1d s LEU 215 Ca 0.16 -0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 3n1d s LEU 215 Cb -0.14 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.14 3n1d s LEU 215 CO 0.05 -0.02 0.40 -0.69 0.23 0.00 0.00 176.35 176.32 3n1d s VAL 216 N -2.20 5.14 0.52 -1.59 1.01 -1.26 0.71 120.40 122.72 3n1d s VAL 216 Ca 0.20 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3n1d s VAL 216 Cb -0.05 -3.72 0.10 0.00 0.00 0.00 0.00 36.38 32.71 3n1d s VAL 216 CO 0.08 0.48 0.71 -0.90 0.00 0.00 0.00 175.10 175.47 3n1d n ASP 217 N 2.66 1.02 0.21 3.32 5.68 0.77 -4.32 116.55 125.89 3n1d n ASP 217 Ca -0.12 -1.85 0.14 0.00 -0.50 0.00 0.00 54.79 52.47 3n1d n ASP 217 Cb 0.52 -0.45 0.72 0.00 -1.14 0.00 0.00 41.12 40.77 3n1d n ASP 217 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3n1d h SER 218 N -0.39 0.00 -0.09 -1.12 4.64 -1.98 -1.12 113.55 113.49 3n1d h SER 218 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3n1d h SER 218 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3n1d h SER 218 CO 0.26 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 3n1d n GLY 219 N -0.86 1.13 1.12 -0.77 0.00 -1.26 -4.94 105.19 99.61 3n1d n GLY 219 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3n1d n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n1d n GLY 220 N 1.38 0.70 3.78 -0.02 0.00 -0.42 -5.07 105.19 105.54 3n1d n GLY 220 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3n1d n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n1d s ASN 221 N -2.91 7.03 -0.07 1.61 0.01 -1.26 -4.74 114.94 114.60 3n1d s ASN 221 Ca 0.00 1.22 -0.30 0.00 -0.71 0.00 0.00 52.86 53.07 3n1d s ASN 221 Cb 0.00 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.27 3n1d s ASN 221 CO 0.00 0.16 1.11 -0.13 -1.51 0.00 0.00 177.10 176.73 3n1d s ARG 222 N -0.54 4.39 0.09 -0.60 0.52 -1.26 -0.17 118.95 121.39 3n1d s ARG 222 Ca 0.31 1.54 0.05 0.00 -0.52 0.00 0.00 55.73 57.11 3n1d s ARG 222 Cb -0.19 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.71 3n1d s ARG 222 CO 0.18 -0.37 -0.14 0.14 0.02 0.00 0.00 175.30 175.13 3n1d s VAL 223 N 2.06 1.21 -0.21 3.52 -7.23 0.22 -4.96 120.40 115.00 3n1d s VAL 223 Ca 0.52 -1.50 -0.10 0.00 -1.81 0.00 0.00 61.98 59.10 3n1d s VAL 223 Cb -0.22 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 3n1d s VAL 223 CO 0.20 -0.31 0.13 -1.58 -0.31 0.00 0.00 175.10 173.23 3n1d s GLN 224 N -2.17 4.11 -0.24 4.82 0.74 -1.26 -0.79 119.66 124.87 3n1d s GLN 224 Ca 0.03 -0.26 -0.08 0.00 0.05 0.00 0.00 55.36 55.10 3n1d s GLN 224 Cb -0.08 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 3n1d s GLN 224 CO 0.02 0.21 0.10 0.42 -0.55 0.00 0.00 175.29 175.50 3n1d s ILE 225 N 0.60 4.77 0.00 -2.34 -1.09 0.11 -4.94 121.20 118.30 3n1d s ILE 225 Ca 0.07 -0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 3n1d s ILE 225 Cb -0.12 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 3n1d s ILE 225 CO 0.00 0.36 0.00 0.35 -1.23 0.00 0.00 174.94 174.42 3n1d n THR 226 N 4.48 0.00 -3.84 2.92 -2.24 -1.26 -1.27 114.28 113.07 3n1d n THR 226 Ca -0.16 -0.25 -0.08 0.00 -2.27 0.00 0.00 64.05 61.29 3n1d n THR 226 Cb 0.52 0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 69.50 3n1d n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3n1d s ASN 227 N -1.30 -0.17 0.58 3.42 2.20 -1.26 -0.72 114.94 117.70 3n1d s ASN 227 Ca 0.00 -0.80 0.35 0.00 -0.94 0.00 0.00 52.86 51.48 3n1d s ASN 227 Cb 0.00 0.77 1.76 0.00 -2.00 0.00 0.00 41.25 41.79 3n1d s ASN 227 CO 0.00 -1.47 2.15 -0.37 -2.94 0.00 0.00 177.10 174.47 3n1d h VAL 228 N 2.00 0.20 0.00 3.54 -1.51 -1.46 -2.81 116.25 116.21 3n1d h VAL 228 Ca -0.24 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 3n1d h VAL 228 Cb 1.25 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 3n1d h VAL 228 CO 0.29 0.04 0.00 0.35 -1.23 0.00 0.00 177.57 177.02 3n1d n THR 229 N -3.28 0.98 -2.08 7.19 -2.24 -1.26 -4.08 114.28 109.51 3n1d n THR 229 Ca -0.01 0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 61.64 3n1d n THR 229 Cb 0.20 -1.02 0.01 0.00 -2.10 0.00 0.00 70.33 67.42 3n1d n THR 229 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n1d s SER 230 N -2.87 5.77 0.55 3.42 0.15 -1.06 -4.79 113.70 114.87 3n1d s SER 230 Ca 0.08 2.46 0.22 0.00 0.70 0.00 0.00 55.95 59.42 3n1d s SER 230 Cb 0.09 -2.61 1.50 0.00 -1.71 0.00 0.00 66.02 63.28 3n1d s SER 230 CO 0.22 -1.21 2.17 0.78 1.20 0.00 0.00 173.24 176.41 3n1d h ASN 231 N 1.72 0.00 -0.24 5.45 2.35 -1.93 0.13 115.58 123.07 3n1d h ASN 231 Ca -0.50 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.22 3n1d h ASN 231 Cb 1.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.62 3n1d h ASN 231 CO 0.59 0.00 0.06 1.62 -1.65 0.00 0.00 177.43 178.04 3n1d h VAL 232 N 0.00 1.17 0.17 2.81 3.04 -1.92 0.42 116.25 121.94 3n1d h VAL 232 Ca 0.02 -0.61 -0.35 0.00 -1.01 0.00 0.00 66.70 64.75 3n1d h VAL 232 Cb 0.10 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 3n1d h VAL 232 CO -0.00 0.22 -1.80 0.58 -1.01 0.00 0.00 177.57 175.55 3n1d h VAL 233 N 0.47 0.87 0.04 1.51 2.07 -1.27 -1.48 116.25 118.44 3n1d h VAL 233 Ca 0.11 -2.47 -0.26 0.00 0.82 0.00 0.00 66.70 64.90 3n1d h VAL 233 Cb 0.22 2.71 0.02 0.00 -1.52 0.00 0.00 31.29 32.71 3n1d h VAL 233 CO 0.00 0.87 -1.07 0.71 0.02 0.00 0.00 177.57 178.09 3n1d h THR 234 N 0.09 1.33 0.00 2.57 1.35 -1.02 -3.42 112.91 113.81 3n1d h THR 234 Ca -0.36 -2.40 -0.05 0.00 -0.55 0.00 0.00 66.41 63.05 3n1d h THR 234 Cb 2.08 2.49 -0.01 0.00 -1.73 0.00 0.00 68.15 70.98 3n1d h THR 234 CO 0.15 0.73 -1.22 -1.20 -0.25 0.00 0.00 175.52 173.73 3n1d n SER 235 N -3.79 4.14 -0.11 5.36 7.64 0.11 -4.96 113.62 122.01 3n1d n SER 235 Ca -0.10 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.61 3n1d n SER 235 Cb 0.90 0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 64.78 3n1d n SER 235 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3n1d n ASN 236 N -2.00 1.92 -4.76 6.43 2.85 -1.02 -4.73 115.26 113.95 3n1d n ASN 236 Ca -0.04 0.39 -0.41 0.00 -0.11 0.00 0.00 54.58 54.41 3n1d n ASN 236 Cb 0.48 -0.82 -0.02 0.00 1.24 0.00 0.00 39.78 40.66 3n1d n ASN 236 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 3n1d s ILE 237 N -2.60 2.83 -0.01 -1.44 2.07 -0.57 0.27 121.20 121.75 3n1d s ILE 237 Ca -0.30 0.79 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 3n1d s ILE 237 Cb 0.08 -3.50 -0.00 0.00 0.13 0.00 0.00 42.46 39.16 3n1d s ILE 237 CO 0.44 0.17 0.01 0.00 -1.91 0.00 0.00 174.94 173.65 3n1d n GLN 238 N 1.23 6.25 -3.74 3.50 1.13 0.58 -4.88 117.38 121.45 3n1d n GLN 238 Ca 0.01 -0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.95 3n1d n GLN 238 Cb 0.42 -0.56 -0.11 0.00 0.11 0.00 0.00 30.24 30.10 3n1d n GLN 238 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3n1d s LEU 239 N -2.11 0.45 -0.14 1.08 1.43 -1.25 -4.11 118.68 114.02 3n1d s LEU 239 Ca 0.00 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 53.81 3n1d s LEU 239 Cb 0.00 1.19 -0.02 0.00 0.03 0.00 0.00 46.19 47.39 3n1d s LEU 239 CO 0.01 -0.14 -0.06 -0.76 0.23 0.00 0.00 176.35 175.62 3n1d s LEU 240 N 0.59 3.10 0.07 1.79 1.43 -0.37 -4.94 118.68 120.35 3n1d s LEU 240 Ca -0.03 -0.18 -0.31 0.00 -1.03 0.00 0.00 54.13 52.58 3n1d s LEU 240 Cb -0.05 -1.73 -0.08 0.00 0.03 0.00 0.00 46.19 44.36 3n1d s LEU 240 CO -0.04 0.18 1.62 -0.22 0.23 0.00 0.00 176.35 178.12 3n1d s LEU 241 N 0.30 4.36 0.25 1.79 2.96 -1.26 -0.69 118.68 126.39 3n1d s LEU 241 Ca -0.05 2.45 -0.30 0.00 -0.22 0.00 0.00 54.13 56.01 3n1d s LEU 241 Cb -0.15 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 3n1d s LEU 241 CO 0.04 -0.86 1.45 0.21 -1.32 0.00 0.00 176.35 175.86 3n1d s ASN 242 N 2.27 6.64 0.62 3.68 3.84 -1.26 -4.56 114.94 126.18 3n1d s ASN 242 Ca 0.73 2.67 0.33 0.00 0.21 0.00 0.00 52.86 56.80 3n1d s ASN 242 Cb -0.39 -2.62 1.90 0.00 -0.55 0.00 0.00 41.25 39.59 3n1d s ASN 242 CO 0.32 -0.71 2.19 0.71 -2.79 0.00 0.00 177.10 176.82 3n1d h THR 243 N 3.55 0.32 -0.10 -5.21 1.35 -1.92 0.12 112.91 111.01 3n1d h THR 243 Ca -0.46 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.43 3n1d h THR 243 Cb 1.22 0.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3n1d h THR 243 CO 0.78 0.00 0.13 0.11 -0.25 0.00 0.00 175.52 176.29 3n1d h LYS 244 N 0.00 0.00 -0.69 4.72 1.57 -1.96 -1.75 116.57 118.46 3n1d h LYS 244 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3n1d h LYS 244 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3n1d h LYS 244 CO -0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 3n1d n ASN 245 N -3.70 4.64 -0.17 0.86 3.02 0.42 -5.12 115.26 115.21 3n1d n ASN 245 Ca -0.00 -2.34 0.02 0.00 -0.03 0.00 0.00 54.58 52.23 3n1d n ASN 245 Cb 0.23 -0.57 0.02 0.00 -0.61 0.00 0.00 39.78 38.85 3n1d n ASN 245 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26