#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nma s VAL 2 N 0.00 3.81 -0.31 2.62 1.01 -1.26 -3.27 120.40 123.00 1nma s VAL 2 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 1nma s VAL 2 Cb 0.00 -4.96 -0.01 0.00 0.00 0.00 0.00 36.38 31.41 1nma s VAL 2 CO 0.00 -1.88 0.16 -1.10 0.00 0.00 0.00 175.10 172.28 1nma s GLN 3 N 5.43 3.32 -0.58 2.72 -0.21 -0.43 -4.89 119.66 125.02 1nma s GLN 3 Ca 0.38 -0.73 -0.10 0.00 0.02 0.00 0.00 55.36 54.93 1nma s GLN 3 Cb -0.05 -3.58 0.15 0.00 1.00 0.00 0.00 33.01 30.53 1nma s GLN 3 CO 0.06 -0.43 0.47 -0.51 -2.12 0.00 0.00 175.29 172.77 1nma s LEU 4 N 1.61 5.93 -0.07 2.90 1.43 -1.25 0.82 118.68 130.04 1nma s LEU 4 Ca 0.05 -2.20 -0.28 0.00 -1.03 0.00 0.00 54.13 50.67 1nma s LEU 4 Cb -0.17 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 1nma s LEU 4 CO 0.06 -0.65 0.90 -1.10 0.23 0.00 0.00 176.35 175.79 1nma s GLN 5 N 0.94 4.45 -0.02 1.70 -0.21 -0.07 -3.19 119.66 123.26 1nma s GLN 5 Ca 0.09 1.22 -0.00 0.00 0.02 0.00 0.00 55.36 56.69 1nma s GLN 5 Cb -0.23 -3.50 0.02 0.00 1.00 0.00 0.00 33.01 30.30 1nma s GLN 5 CO -0.02 -0.14 0.03 -0.65 -2.12 0.00 0.00 175.29 172.39 1nma s GLN 6 N 1.41 -0.00 0.79 2.91 -0.21 -1.26 -0.85 119.66 122.44 1nma s GLN 6 Ca 0.45 0.13 -0.15 0.00 0.02 0.00 0.00 55.36 55.81 1nma s GLN 6 Cb -0.19 -0.13 0.03 0.00 1.00 0.00 0.00 33.01 33.72 1nma s GLN 6 CO 0.21 -0.09 0.83 -0.35 -2.12 0.00 0.00 175.29 173.76 1nma n PRO 7 N 3.68 0.19 0.12 2.91 -0.04 -1.26 -4.67 135.00 135.92 1nma n PRO 7 Ca -0.21 0.12 -0.03 0.00 -0.04 0.00 0.00 63.50 63.35 1nma n PRO 7 Cb 0.55 -2.12 0.15 0.00 -0.04 0.00 0.00 33.50 32.04 1nma n PRO 7 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1nma h GLY 8 N -0.74 0.10 -2.51 0.55 0.00 -1.97 -3.36 103.07 95.14 1nma h GLY 8 Ca -0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1nma h GLY 8 CO 0.43 0.11 0.08 0.00 0.00 0.00 0.00 176.54 177.17 1nma s ALA 9 N -3.67 -1.03 -0.02 3.60 0.00 -1.26 -0.64 121.76 118.75 1nma s ALA 9 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1nma s ALA 9 Cb 0.12 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.13 1nma s ALA 9 CO 0.78 -0.85 0.00 -2.00 0.00 0.00 0.00 175.76 173.69 1nma s GLU 10 N -3.88 0.13 -0.19 0.00 2.56 -0.27 -4.90 118.70 112.16 1nma s GLU 10 Ca 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 54.97 55.11 1nma s GLU 10 Cb -0.02 -0.27 0.00 0.00 2.00 0.00 0.00 34.13 35.84 1nma s GLU 10 CO -0.01 -0.08 -0.13 -1.17 -0.56 0.00 0.00 175.26 173.30 1nma s LEU 11 N 0.63 2.49 0.41 2.70 2.96 -1.26 -2.00 118.68 124.61 1nma s LEU 11 Ca -0.06 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 1nma s LEU 11 Cb -0.08 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1nma s LEU 11 CO -0.01 0.02 0.09 0.68 -1.32 0.00 0.00 176.35 175.80 1nma s VAL 12 N 1.22 0.87 0.09 1.68 -7.23 0.11 -5.00 120.40 112.13 1nma s VAL 12 Ca 0.02 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.29 1nma s VAL 12 Cb -0.14 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1nma s VAL 12 CO -0.06 0.00 -0.25 -0.54 -0.31 0.00 0.00 175.10 173.94 1nma s LYS 13 N -3.78 1.51 0.16 4.82 3.01 -1.26 -0.11 119.74 124.09 1nma s LYS 13 Ca 0.23 -1.19 -0.31 0.00 -1.01 0.00 0.00 55.97 53.69 1nma s LYS 13 Cb 0.04 -1.82 -0.11 0.00 -1.01 0.00 0.00 37.83 34.93 1nma s LYS 13 CO 0.13 0.45 1.69 -1.25 0.51 0.00 0.00 175.35 176.88 1nma s PRO 14 N -1.63 4.16 0.00 -1.68 0.04 -1.25 -2.83 135.00 131.81 1nma s PRO 14 Ca 0.11 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1nma s PRO 14 Cb -0.10 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1nma s PRO 14 CO 0.04 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1nma n GLY 15 N 3.98 2.34 0.00 0.56 0.00 0.10 -4.95 105.19 107.22 1nma n GLY 15 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1nma n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nma n ALA 16 N -1.29 0.00 -3.66 4.61 0.00 -1.13 -2.73 120.51 116.31 1nma n ALA 16 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1nma n ALA 16 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1nma n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nma s SER 17 N -1.36 -0.57 0.35 0.00 0.15 -1.26 0.84 113.70 111.85 1nma s SER 17 Ca 0.00 1.16 0.08 0.00 0.70 0.00 0.00 55.95 57.89 1nma s SER 17 Cb 0.00 1.48 -0.04 0.00 -1.71 0.00 0.00 66.02 65.76 1nma s SER 17 CO 0.00 -0.22 0.19 0.54 1.20 0.00 0.00 173.24 174.95 1nma s VAL 18 N 2.39 3.08 -0.16 4.45 0.11 -0.72 -4.99 120.40 124.56 1nma s VAL 18 Ca -0.05 -1.60 -0.05 0.00 -2.93 0.00 0.00 61.98 57.36 1nma s VAL 18 Cb -0.11 -3.03 0.06 0.00 -1.53 0.00 0.00 36.38 31.77 1nma s VAL 18 CO -0.15 -0.16 0.09 -0.60 -3.33 0.00 0.00 175.10 170.95 1nma s ARG 19 N -3.90 0.05 0.70 1.54 3.00 -1.26 -2.67 118.95 116.41 1nma s ARG 19 Ca 0.39 -0.06 -0.12 0.00 -1.00 0.00 0.00 55.73 54.94 1nma s ARG 19 Cb -0.03 -1.76 0.02 0.00 0.00 0.00 0.00 34.95 33.17 1nma s ARG 19 CO 0.24 -0.65 1.08 1.41 0.00 0.00 0.00 175.30 177.37 1nma s MET 20 N 2.14 2.73 -0.02 5.12 -2.45 -0.97 -4.93 119.30 120.92 1nma s MET 20 Ca 0.02 1.14 -0.10 0.00 -1.25 0.00 0.00 55.69 55.51 1nma s MET 20 Cb -0.16 -1.96 0.01 0.00 1.25 0.00 0.00 34.83 33.98 1nma s MET 20 CO -0.09 -1.28 0.20 -1.12 1.05 0.00 0.00 175.02 173.79 1nma s SER 21 N -3.29 -0.08 -0.29 1.11 0.01 -1.26 -2.67 113.70 107.22 1nma s SER 21 Ca 0.61 -0.01 -0.00 0.00 1.31 0.00 0.00 55.95 57.86 1nma s SER 21 Cb -0.16 0.28 0.14 0.00 0.21 0.00 0.00 66.02 66.48 1nma s SER 21 CO 0.50 -0.34 0.30 0.00 0.41 0.00 0.00 173.24 174.11 1nma s LYS 23 N 2.37 3.28 -0.03 0.00 2.20 -0.03 -1.84 119.74 125.70 1nma s LYS 23 Ca 0.09 -0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 1nma s LYS 23 Cb -0.14 -4.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.07 1nma s LYS 23 CO -0.33 -1.46 1.21 0.00 -0.36 0.00 0.00 175.35 174.42 1nma s ALA 24 N 3.72 3.47 0.15 3.13 0.00 -0.51 -0.89 121.76 130.83 1nma s ALA 24 Ca 0.27 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.98 1nma s ALA 24 Cb -0.14 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1nma s ALA 24 CO 0.17 -0.70 -0.13 0.45 0.00 0.00 0.00 175.76 175.55 1nma s SER 25 N 1.42 2.07 -1.46 0.00 0.15 0.24 -4.84 113.70 111.27 1nma s SER 25 Ca 0.57 -0.91 -0.08 0.00 0.70 0.00 0.00 55.95 56.23 1nma s SER 25 Cb -0.26 -0.07 0.06 0.00 -1.71 0.00 0.00 66.02 64.04 1nma s SER 25 CO 0.24 -0.20 0.83 0.61 1.20 0.00 0.00 173.24 175.92 1nma n GLY 26 N 0.16 -0.40 3.79 9.45 0.00 -1.20 -1.32 105.19 115.67 1nma n GLY 26 Ca -0.13 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1nma n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1nma n TYR 27 N -4.51 -1.50 -2.89 1.61 4.11 -1.26 -2.81 117.16 109.90 1nma n TYR 27 Ca -0.10 -1.35 -0.43 0.00 -0.00 0.00 0.00 57.90 56.02 1nma n TYR 27 Cb 0.59 0.66 -0.03 0.00 -0.00 0.00 0.00 39.34 40.55 1nma n TYR 27 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1nma s THR 28 N -2.07 4.52 0.39 -3.48 -4.23 -1.26 -4.92 115.64 104.58 1nma s THR 28 Ca 0.22 -0.97 0.12 0.00 -1.18 0.00 0.00 61.69 59.87 1nma s THR 28 Cb -0.03 -4.73 0.33 0.00 1.34 0.00 0.00 72.50 69.41 1nma s THR 28 CO 0.06 -1.48 1.90 0.15 -0.54 0.00 0.00 174.62 174.71 1nma h PHE 29 N 9.22 0.67 0.00 3.99 3.57 -1.95 -0.46 116.94 131.97 1nma h PHE 29 Ca -0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1nma h PHE 29 Cb 1.05 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1nma h PHE 29 CO 1.06 0.26 0.00 2.41 -2.23 0.00 0.00 178.31 179.82 1nma n THR 30 N -4.52 0.57 0.44 4.41 -1.04 -1.26 -3.80 114.28 109.08 1nma n THR 30 Ca 0.15 0.14 0.06 0.00 -2.04 0.00 0.00 64.05 62.37 1nma n THR 30 Cb 0.47 -0.80 0.07 0.00 -1.82 0.00 0.00 70.33 68.25 1nma n THR 30 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1nma n ASN 31 N -1.47 2.18 -3.92 8.00 4.13 -0.18 -2.74 115.26 121.26 1nma n ASN 31 Ca 0.06 -1.59 -0.12 0.00 1.68 0.00 0.00 54.58 54.61 1nma n ASN 31 Cb 0.23 -0.03 -0.13 0.00 -1.54 0.00 0.00 39.78 38.30 1nma n ASN 31 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1nma s TYR 32 N -1.05 0.16 0.24 3.10 1.51 -1.25 -4.22 117.35 115.84 1nma s TYR 32 Ca 0.16 -0.19 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 1nma s TYR 32 Cb 0.11 -0.11 -0.09 0.00 -0.11 0.00 0.00 41.96 41.76 1nma s TYR 32 CO 0.16 -0.06 1.14 -0.80 -1.11 0.00 0.00 175.55 174.88 1nma s ASN 33 N -0.53 7.19 -0.04 2.29 0.01 -1.26 -4.20 114.94 118.41 1nma s ASN 33 Ca -0.05 2.26 -0.08 0.00 -0.71 0.00 0.00 52.86 54.28 1nma s ASN 33 Cb -0.04 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.96 1nma s ASN 33 CO -0.00 -0.23 0.24 -0.04 -1.51 0.00 0.00 177.10 175.55 1nma s MET 34 N -0.99 3.58 -0.04 -0.60 -1.94 -0.38 -3.40 119.30 115.52 1nma s MET 34 Ca 0.48 -0.03 0.05 0.00 -1.71 0.00 0.00 55.69 54.47 1nma s MET 34 Cb -0.32 -3.14 -0.01 0.00 2.01 0.00 0.00 34.83 33.37 1nma s MET 34 CO 0.40 0.70 -0.19 0.71 -0.01 0.00 0.00 175.02 176.62 1nma s TYR 35 N -1.18 1.88 -0.16 -0.03 2.02 0.10 -0.61 117.35 119.37 1nma s TYR 35 Ca 0.23 -0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 56.38 1nma s TYR 35 Cb -0.13 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 40.16 1nma s TYR 35 CO 0.12 -0.16 -0.06 -1.58 -1.57 0.00 0.00 175.55 172.30 1nma s TRP 36 N -0.08 2.96 -0.01 2.71 0.52 -0.84 -0.26 118.94 123.95 1nma s TRP 36 Ca -0.02 -0.48 0.00 0.00 0.02 0.00 0.00 56.10 55.62 1nma s TRP 36 Cb -0.11 -1.96 0.01 0.00 -1.15 0.00 0.00 33.47 30.26 1nma s TRP 36 CO 0.02 -0.16 -0.00 0.54 0.02 0.00 0.00 176.95 177.37 1nma s VAL 37 N 0.55 0.07 -0.09 4.03 0.11 0.38 0.02 120.40 125.47 1nma s VAL 37 Ca -0.04 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.95 1nma s VAL 37 Cb -0.15 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 1nma s VAL 37 CO 0.03 0.05 0.19 -0.75 -3.33 0.00 0.00 175.10 171.28 1nma s LYS 38 N 0.27 3.51 -0.35 1.54 2.20 0.11 -0.50 119.74 126.53 1nma s LYS 38 Ca -0.02 -0.07 -0.00 0.00 -0.36 0.00 0.00 55.97 55.51 1nma s LYS 38 Cb -0.04 -3.18 0.12 0.00 -1.51 0.00 0.00 37.83 33.22 1nma s LYS 38 CO -0.01 0.75 0.16 -1.14 -0.36 0.00 0.00 175.35 174.76 1nma s GLN 39 N -1.17 0.79 0.39 4.03 0.74 0.22 -0.60 119.66 124.07 1nma s GLN 39 Ca 0.18 -1.33 -0.20 0.00 0.05 0.00 0.00 55.36 54.05 1nma s GLN 39 Cb -0.13 -1.87 -0.10 0.00 1.10 0.00 0.00 33.01 32.01 1nma s GLN 39 CO 0.07 -1.08 0.90 -1.54 -0.55 0.00 0.00 175.29 173.09 1nma s SER 40 N 1.20 6.96 0.53 6.67 1.04 -1.26 -2.14 113.70 126.69 1nma s SER 40 Ca 0.14 1.62 0.40 0.00 0.48 0.00 0.00 55.95 58.59 1nma s SER 40 Cb -0.20 -2.51 1.58 0.00 0.10 0.00 0.00 66.02 64.99 1nma s SER 40 CO -0.14 -0.28 1.70 1.55 0.98 0.00 0.00 173.24 177.05 1nma h PRO 41 N 2.17 0.03 -1.06 4.02 0.13 -1.96 -2.53 132.00 132.80 1nma h PRO 41 Ca -0.48 -0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.28 1nma h PRO 41 Cb 1.18 -0.01 -0.38 0.00 0.13 0.00 0.00 31.00 31.92 1nma h PRO 41 CO 0.62 0.02 -1.14 0.41 -0.23 0.00 0.00 178.00 177.68 1nma n GLY 42 N -1.78 1.76 3.22 1.56 0.00 -1.26 -5.08 105.19 103.60 1nma n GLY 42 Ca 0.33 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1nma n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nma s GLN 43 N -2.81 0.88 1.12 1.61 -0.21 -0.95 -5.17 119.66 114.13 1nma s GLN 43 Ca 0.28 -1.01 -0.18 0.00 0.02 0.00 0.00 55.36 54.47 1nma s GLN 43 Cb 0.44 0.34 0.25 0.00 1.00 0.00 0.00 33.01 35.04 1nma s GLN 43 CO 0.02 -0.28 1.17 0.20 -2.12 0.00 0.00 175.29 174.27 1nma s GLY 44 N -2.88 1.63 -0.12 3.09 0.00 -1.26 -4.51 107.32 103.27 1nma s GLY 44 Ca 0.07 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 43.53 1nma s GLY 44 CO -0.09 -0.15 1.02 1.08 0.00 0.00 0.00 173.10 174.96 1nma s LEU 45 N -6.59 4.23 -0.29 0.66 1.43 -1.26 -4.61 118.68 112.25 1nma s LEU 45 Ca 0.71 1.52 -0.08 0.00 -1.03 0.00 0.00 54.13 55.25 1nma s LEU 45 Cb -0.09 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 1nma s LEU 45 CO 0.55 -0.48 0.10 -1.61 0.23 0.00 0.00 176.35 175.15 1nma s GLU 46 N 2.16 3.34 0.18 1.70 2.02 0.23 -4.97 118.70 123.35 1nma s GLU 46 Ca 0.48 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 54.47 1nma s GLU 46 Cb -0.18 -3.42 -0.08 0.00 0.10 0.00 0.00 34.13 30.55 1nma s GLU 46 CO 0.17 -0.36 1.12 -0.46 0.02 0.00 0.00 175.26 175.74 1nma s TRP 47 N 1.57 3.56 -0.15 1.61 -0.00 -1.26 0.10 118.94 124.37 1nma s TRP 47 Ca 0.04 1.57 -0.11 0.00 -0.00 0.00 0.00 56.10 57.60 1nma s TRP 47 Cb -0.17 -3.30 -0.04 0.00 -0.00 0.00 0.00 33.47 29.96 1nma s TRP 47 CO 0.04 -0.71 -0.21 -0.89 -0.00 0.00 0.00 176.95 175.18 1nma n ILE 48 N 2.37 1.44 -3.48 5.86 5.41 0.10 -4.73 119.36 126.34 1nma n ILE 48 Ca 0.03 0.20 -0.04 0.00 1.00 0.00 0.00 62.75 63.93 1nma n ILE 48 Cb 0.46 -2.38 0.01 0.00 -0.71 0.00 0.00 39.64 37.02 1nma n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1nma n GLY 49 N 1.58 1.34 3.26 7.39 0.00 -1.18 0.52 105.19 118.10 1nma n GLY 49 Ca -0.09 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 1nma n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nma s ILE 50 N -2.47 1.52 -0.22 -0.61 -1.16 -0.08 -1.98 121.20 116.19 1nma s ILE 50 Ca 0.09 -1.64 -0.03 0.00 -0.51 0.00 0.00 60.65 58.56 1nma s ILE 50 Cb -0.02 -1.53 0.07 0.00 0.61 0.00 0.00 42.46 41.59 1nma s ILE 50 CO 0.06 -0.26 0.08 0.12 -2.81 0.00 0.00 174.94 172.13 1nma s PHE 51 N -1.69 0.71 -0.60 3.50 5.36 0.22 -1.38 117.98 124.10 1nma s PHE 51 Ca 0.08 -0.79 -0.23 0.00 -0.96 0.00 0.00 56.93 55.03 1nma s PHE 51 Cb -0.07 -0.98 0.06 0.00 -0.34 0.00 0.00 43.02 41.68 1nma s PHE 51 CO 0.04 -0.65 0.92 -0.47 -1.46 0.00 0.00 175.22 173.60 1nma s TYR 52 N 1.96 2.76 -0.25 10.12 5.04 -0.03 -1.25 117.35 135.71 1nma s TYR 52 Ca 0.03 -0.33 0.24 0.00 -2.44 0.00 0.00 57.07 54.57 1nma s TYR 52 Cb -0.17 -4.13 1.17 0.00 0.35 0.00 0.00 41.96 39.19 1nma s TYR 52 CO -0.16 -1.47 1.72 -1.35 -1.34 0.00 0.00 175.55 172.96 1nma h PRO 52 N 9.41 0.00 -0.46 4.97 0.11 -1.79 0.14 132.00 144.38 1nma h PRO 52 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1nma h PRO 52 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1nma h PRO 52 CO 1.12 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.32 1nma n GLY 53 N -0.79 3.28 0.00 -0.55 0.00 -1.11 -4.39 105.19 101.64 1nma n GLY 53 Ca -0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1nma n GLY 53 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nma n ASN 54 N 0.34 0.00 0.00 1.61 2.85 -1.12 -5.07 115.26 113.88 1nma n ASN 54 Ca 0.23 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 1nma n ASN 54 Cb 0.94 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.96 1nma n ASN 54 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1nma n GLY 55 N -0.29 0.70 3.76 8.20 0.00 0.49 -5.06 105.19 113.00 1nma n GLY 55 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1nma n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nma s ASP 56 N -2.70 5.35 0.02 1.61 2.15 -1.25 -4.81 116.67 117.04 1nma s ASP 56 Ca 0.00 2.40 0.01 0.00 0.43 0.00 0.00 52.55 55.39 1nma s ASP 56 Cb 0.00 -2.60 -0.01 0.00 -0.30 0.00 0.00 42.92 40.01 1nma s ASP 56 CO 0.00 -1.48 -0.04 0.42 -0.17 0.00 0.00 175.17 173.89 1nma s THR 57 N -1.57 0.28 -0.08 1.71 -4.23 -1.26 -0.85 115.64 109.63 1nma s THR 57 Ca 0.75 -0.60 -0.06 0.00 -1.18 0.00 0.00 61.69 60.61 1nma s THR 57 Cb -0.31 -0.33 0.03 0.00 1.34 0.00 0.00 72.50 73.24 1nma s THR 57 CO 0.34 -0.21 0.21 -0.44 -0.54 0.00 0.00 174.62 173.97 1nma s SER 58 N -0.86 -0.21 0.18 3.99 0.01 -0.48 -4.95 113.70 111.37 1nma s SER 58 Ca -0.07 0.42 0.10 0.00 1.31 0.00 0.00 55.95 57.72 1nma s SER 58 Cb -0.06 0.38 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 1nma s SER 58 CO -0.00 -0.11 -0.16 -0.31 0.41 0.00 0.00 173.24 173.07 1nma s TYR 59 N 0.56 2.50 0.58 2.43 1.51 -1.26 -0.90 117.35 122.75 1nma s TYR 59 Ca -0.04 -0.28 -0.17 0.00 -1.01 0.00 0.00 57.07 55.58 1nma s TYR 59 Cb -0.05 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1nma s TYR 59 CO -0.03 0.49 1.07 1.21 -1.11 0.00 0.00 175.55 177.18 1nma s ASN 60 N -2.67 5.78 0.10 2.29 3.84 0.18 -4.83 114.94 119.64 1nma s ASN 60 Ca 0.22 1.91 -0.24 0.00 0.21 0.00 0.00 52.86 54.96 1nma s ASN 60 Cb -0.09 -2.55 -0.08 0.00 -0.55 0.00 0.00 41.25 37.99 1nma s ASN 60 CO 0.12 -1.17 1.40 -0.61 -2.79 0.00 0.00 177.10 174.06 1nma h GLN 61 N 0.68 -0.27 -0.49 0.43 4.15 -1.95 -2.11 115.11 115.55 1nma h GLN 61 Ca -0.48 0.02 -0.12 0.00 0.77 0.00 0.00 58.65 58.84 1nma h GLN 61 Cb 1.23 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.96 1nma h GLN 61 CO 0.57 -0.18 -0.17 1.57 -1.93 0.00 0.00 178.83 178.69 1nma h LYS 62 N -0.28 0.97 0.00 1.69 2.10 -1.98 -3.27 116.57 115.79 1nma h LYS 62 Ca 0.06 -0.39 -0.02 0.00 -2.00 0.00 0.00 60.65 58.30 1nma h LYS 62 Cb 0.43 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1nma h LYS 62 CO -0.45 1.06 -0.11 0.74 -2.00 0.00 0.00 179.45 178.69 1nma h PHE 63 N 0.85 0.00 -1.27 0.07 0.04 -1.82 -3.14 116.94 111.67 1nma h PHE 63 Ca 0.12 0.00 0.37 0.00 2.80 0.00 0.00 57.97 61.26 1nma h PHE 63 Cb 0.74 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.82 1nma h PHE 63 CO 0.05 0.11 0.90 -0.22 -0.60 0.00 0.00 178.31 178.54 1nma h LYS 64 N 0.00 0.05 0.12 1.51 3.64 -1.45 0.81 116.57 121.25 1nma h LYS 64 Ca -0.00 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1nma h LYS 64 Cb 0.27 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1nma h LYS 64 CO 0.01 0.04 -1.21 -0.44 -2.27 0.00 0.00 179.45 175.58 1nma h ASP 65 N 0.06 0.85 1.05 4.20 3.32 -1.81 -3.39 116.42 120.69 1nma h ASP 65 Ca 0.63 -0.83 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 1nma h ASP 65 Cb 2.36 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 41.63 1nma h ASP 65 CO -0.07 1.59 -1.00 0.11 -1.72 0.00 0.00 179.24 178.15 1nma h LYS 66 N 0.22 0.00 -5.47 3.56 1.79 -1.08 -3.46 116.57 112.13 1nma h LYS 66 Ca -0.19 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.60 1nma h LYS 66 Cb 1.89 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 32.22 1nma h LYS 66 CO 0.23 0.28 -0.87 0.00 -1.08 0.00 0.00 179.45 178.01 1nma s ALA 67 N -3.03 2.20 -0.03 3.86 0.00 -0.77 -3.78 121.76 120.22 1nma s ALA 67 Ca 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.04 1nma s ALA 67 Cb 0.08 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 1nma s ALA 67 CO 0.78 0.31 -0.19 0.99 0.00 0.00 0.00 175.76 177.65 1nma s THR 68 N 0.24 2.64 0.03 0.00 2.01 -0.13 -4.77 115.64 115.66 1nma s THR 68 Ca -0.16 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 60.93 1nma s THR 68 Cb -0.17 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1nma s THR 68 CO 0.08 0.55 0.00 -0.76 -0.69 0.00 0.00 174.62 173.80 1nma s LEU 69 N -0.79 3.50 0.21 4.42 1.02 -1.26 -1.00 118.68 124.78 1nma s LEU 69 Ca 0.11 -0.06 -0.05 0.00 0.02 0.00 0.00 54.13 54.15 1nma s LEU 69 Cb -0.10 -2.08 -0.03 0.00 0.02 0.00 0.00 46.19 44.00 1nma s LEU 69 CO 0.01 0.25 0.25 -0.89 0.02 0.00 0.00 176.35 175.98 1nma s THR 70 N -1.15 0.01 -0.16 5.49 2.01 -0.91 -4.99 115.64 115.94 1nma s THR 70 Ca 0.21 -1.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.17 1nma s THR 70 Cb -0.12 -2.32 0.09 0.00 0.01 0.00 0.00 72.50 70.16 1nma s THR 70 CO 0.13 -0.06 0.79 0.00 -0.69 0.00 0.00 174.62 174.79 1nma s ALA 71 N -4.09 -1.83 -0.67 7.40 0.00 -1.26 -1.63 121.76 119.68 1nma s ALA 71 Ca 0.31 1.62 -0.02 0.00 0.00 0.00 0.00 51.96 53.87 1nma s ALA 71 Cb 0.04 -0.62 0.17 0.00 0.00 0.00 0.00 23.12 22.72 1nma s ALA 71 CO 0.09 -0.33 0.49 0.34 0.00 0.00 0.00 175.76 176.35 1nma s ASP 72 N -0.59 5.29 0.39 0.00 2.15 -0.06 -4.97 116.67 118.88 1nma s ASP 72 Ca -0.05 -3.04 0.22 0.00 0.43 0.00 0.00 52.55 50.11 1nma s ASP 72 Cb -0.02 -1.85 1.25 0.00 -0.30 0.00 0.00 42.92 42.00 1nma s ASP 72 CO 0.04 -0.32 1.66 0.11 -0.17 0.00 0.00 175.17 176.49 1nma h LYS 73 N 6.78 0.21 -0.09 4.34 1.57 -1.96 0.10 116.57 127.52 1nma h LYS 73 Ca 0.02 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1nma h LYS 73 Cb 0.92 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1nma h LYS 73 CO 0.73 0.14 -0.12 0.77 -0.57 0.00 0.00 179.45 180.39 1nma h SER 74 N 0.21 0.13 -0.48 0.86 0.02 -1.95 -2.41 113.55 109.93 1nma h SER 74 Ca 0.75 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.68 1nma h SER 74 Cb 2.06 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.57 1nma h SER 74 CO -0.48 0.28 0.00 -1.54 -1.14 0.00 0.00 176.83 173.95 1nma n SER 75 N -4.32 3.63 -4.37 3.07 3.41 0.23 -4.95 113.62 110.31 1nma n SER 75 Ca -0.01 -2.20 -0.36 0.00 -0.26 0.00 0.00 58.87 56.04 1nma n SER 75 Cb 0.24 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 63.72 1nma n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1nma n ASN 76 N 0.77 -0.67 -4.50 4.04 5.03 -0.50 -4.77 115.26 114.66 1nma n ASN 76 Ca 0.18 -1.22 -0.35 0.00 0.87 0.00 0.00 54.58 54.07 1nma n ASN 76 Cb 0.61 -1.83 -0.12 0.00 -1.02 0.00 0.00 39.78 37.43 1nma n ASN 76 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1nma s THR 77 N -3.79 4.19 0.40 3.41 -4.23 -1.14 -1.42 115.64 113.06 1nma s THR 77 Ca 0.41 -0.24 -0.06 0.00 -1.18 0.00 0.00 61.69 60.62 1nma s THR 77 Cb -0.23 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 70.67 1nma s THR 77 CO 1.00 0.44 0.71 0.00 -0.54 0.00 0.00 174.62 176.22 1nma s ALA 78 N 0.79 3.46 0.26 3.99 0.00 -0.76 -0.89 121.76 128.61 1nma s ALA 78 Ca 0.01 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 1nma s ALA 78 Cb -0.14 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 1nma s ALA 78 CO 0.02 -0.09 0.36 0.71 0.00 0.00 0.00 175.76 176.76 1nma s TYR 79 N -2.45 0.82 -0.28 0.00 2.02 -0.65 -2.30 117.35 114.52 1nma s TYR 79 Ca 0.47 -1.09 -0.12 0.00 -0.37 0.00 0.00 57.07 55.95 1nma s TYR 79 Cb -0.10 -0.14 0.10 0.00 -0.40 0.00 0.00 41.96 41.42 1nma s TYR 79 CO 0.37 -0.92 0.63 1.41 -1.57 0.00 0.00 175.55 175.48 1nma s MET 80 N -3.81 0.60 -0.23 -0.62 -2.45 -1.09 -2.15 119.30 109.55 1nma s MET 80 Ca 0.30 1.29 -0.06 0.00 -1.25 0.00 0.00 55.69 55.97 1nma s MET 80 Cb 0.02 0.48 -0.02 0.00 1.25 0.00 0.00 34.83 36.56 1nma s MET 80 CO 0.13 -0.18 0.02 -1.14 1.05 0.00 0.00 175.02 174.90 1nma s GLN 81 N 2.27 3.56 0.47 4.11 -0.44 -0.17 -2.30 119.66 127.17 1nma s GLN 81 Ca -0.08 -0.53 0.06 0.00 -2.50 0.00 0.00 55.36 52.32 1nma s GLN 81 Cb -0.09 -3.17 -0.01 0.00 -1.64 0.00 0.00 33.01 28.10 1nma s GLN 81 CO -0.19 -0.15 0.31 -0.51 0.50 0.00 0.00 175.29 175.26 1nma s LEU 82 N 1.43 3.00 0.00 3.68 1.43 -1.09 -0.95 118.68 126.17 1nma s LEU 82 Ca 0.05 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1nma s LEU 82 Cb -0.15 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1nma s LEU 82 CO 0.01 -0.79 0.00 -1.20 0.23 0.00 0.00 176.35 174.60 1nma n SER 82 N -1.51 0.00 -4.75 2.29 7.64 0.25 -1.75 113.62 115.78 1nma n SER 82 Ca -0.01 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.54 1nma n SER 82 Cb 0.64 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.91 1nma n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nma s LEU 82 N -3.16 3.28 0.34 -3.43 1.02 -1.25 -4.58 118.68 110.91 1nma s LEU 82 Ca 0.00 2.06 -0.17 0.00 0.02 0.00 0.00 54.13 56.03 1nma s LEU 82 Cb 0.00 -4.56 0.05 0.00 0.02 0.00 0.00 46.19 41.71 1nma s LEU 82 CO 0.00 -1.92 0.81 0.42 0.02 0.00 0.00 176.35 175.68 1nma s THR 83 N -2.38 0.00 0.22 5.49 -4.23 -1.26 0.02 115.64 113.49 1nma s THR 83 Ca 0.67 -0.94 -0.20 0.00 -1.18 0.00 0.00 61.69 60.04 1nma s THR 83 Cb -0.22 -2.75 0.18 0.00 1.34 0.00 0.00 72.50 71.05 1nma s THR 83 CO 0.46 0.00 1.55 0.28 -0.54 0.00 0.00 174.62 176.37 1nma h SER 84 N 2.00 -1.58 0.00 3.99 0.02 -1.97 0.46 113.55 116.47 1nma h SER 84 Ca -0.30 0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1nma h SER 84 Cb 1.25 0.80 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1nma h SER 84 CO 0.38 -0.28 0.19 -0.08 -1.14 0.00 0.00 176.83 175.89 1nma h GLU 85 N -0.01 0.00 -1.85 3.45 4.57 -2.01 -0.13 114.58 118.60 1nma h GLU 85 Ca 0.31 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.90 1nma h GLU 85 Cb 0.56 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 28.73 1nma h GLU 85 CO -0.97 0.00 -0.71 -0.40 -1.18 0.00 0.00 179.01 175.75 1nma n ASP 86 N -2.76 4.48 -4.47 1.04 5.75 0.15 -4.92 116.55 115.81 1nma n ASP 86 Ca -0.02 -3.67 -0.43 0.00 -0.01 0.00 0.00 54.79 50.66 1nma n ASP 86 Cb 0.23 -0.51 -0.10 0.00 -1.03 0.00 0.00 41.12 39.72 1nma n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1nma s SER 87 N -3.48 6.13 0.00 -1.12 0.01 -0.07 -4.64 113.70 110.53 1nma s SER 87 Ca 0.48 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1nma s SER 87 Cb 0.35 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1nma s SER 87 CO -0.16 -0.47 0.00 0.00 0.41 0.00 0.00 173.24 173.02 1nma n ALA 88 N 5.26 0.00 -2.37 1.44 0.00 -1.02 -4.42 120.51 119.41 1nma n ALA 88 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 1nma n ALA 88 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 1nma n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nma s VAL 89 N -2.76 1.91 0.06 0.00 1.01 -0.91 -0.11 120.40 119.60 1nma s VAL 89 Ca 0.00 -1.11 0.08 0.00 0.00 0.00 0.00 61.98 60.95 1nma s VAL 89 Cb 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1nma s VAL 89 CO 0.00 0.47 -0.21 -0.31 0.00 0.00 0.00 175.10 175.05 1nma s TYR 90 N -0.63 1.81 0.08 5.22 2.02 -0.48 -0.61 117.35 124.76 1nma s TYR 90 Ca 0.10 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.45 1nma s TYR 90 Cb -0.09 -1.06 -0.03 0.00 -0.40 0.00 0.00 41.96 40.37 1nma s TYR 90 CO -0.00 0.12 -0.11 0.71 -1.57 0.00 0.00 175.55 174.70 1nma s TYR 91 N -0.88 1.06 0.18 2.71 1.51 0.34 -1.11 117.35 121.16 1nma s TYR 91 Ca 0.07 -0.56 0.08 0.00 -1.01 0.00 0.00 57.07 55.66 1nma s TYR 91 Cb -0.09 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.13 1nma s TYR 91 CO 0.02 0.01 -0.04 0.00 -1.11 0.00 0.00 175.55 174.43 1nma s ALA 93 N -1.76 -0.89 0.07 0.00 0.00 0.65 -0.07 121.76 119.75 1nma s ALA 93 Ca 0.27 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.06 1nma s ALA 93 Cb -0.09 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 1nma s ALA 93 CO 0.17 -0.77 -0.16 -0.98 0.00 0.00 0.00 175.76 174.02 1nma s ARG 94 N -3.87 0.92 0.45 0.00 1.70 -1.10 0.03 118.95 117.08 1nma s ARG 94 Ca 0.09 -0.97 -0.08 0.00 -0.47 0.00 0.00 55.73 54.29 1nma s ARG 94 Cb -0.00 -0.98 -0.05 0.00 -0.57 0.00 0.00 34.95 33.34 1nma s ARG 94 CO -0.04 0.23 0.79 -1.54 -1.08 0.00 0.00 175.30 173.66 1nma s SER 95 N -1.66 6.40 0.13 -2.89 1.04 -1.22 -0.57 113.70 114.94 1nma s SER 95 Ca 0.01 1.07 0.13 0.00 0.48 0.00 0.00 55.95 57.64 1nma s SER 95 Cb -0.10 -2.30 0.63 0.00 0.10 0.00 0.00 66.02 64.35 1nma s SER 95 CO 0.03 -0.50 1.41 0.61 0.98 0.00 0.00 173.24 175.77 1nma n GLY 96 N -1.76 -0.85 0.47 7.32 0.00 0.48 -3.94 105.19 106.91 1nma n GLY 96 Ca 0.02 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1nma n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nma n GLY 97 N -0.83 0.12 2.59 -0.02 0.00 -1.10 -4.95 105.19 100.99 1nma n GLY 97 Ca 0.01 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 1nma n GLY 97 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nma n SER 98 N 0.17 -2.41 0.00 1.61 7.64 -1.25 -1.83 113.62 117.55 1nma n SER 98 Ca 0.14 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1nma n SER 98 Cb 0.26 -2.11 0.00 0.00 -1.01 0.00 0.00 64.21 61.35 1nma n SER 98 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nma n TYR 99 N -3.01 0.00 -2.80 1.43 0.18 -1.26 -4.61 117.16 107.10 1nma n TYR 99 Ca -0.06 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.35 1nma n TYR 99 Cb 0.55 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.44 1nma n TYR 99 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1nma s ARG 100 N 0.00 4.55 -1.09 -3.48 1.81 -0.76 -4.92 118.95 115.07 1nma s ARG 100 Ca 0.00 1.30 -0.06 0.00 -1.72 0.00 0.00 55.73 55.25 1nma s ARG 100 Cb 0.00 -2.77 0.30 0.00 -0.45 0.00 0.00 34.95 32.03 1nma s ARG 100 CO 0.00 0.27 1.35 0.66 -0.68 0.00 0.00 175.30 176.90 1nma n TYR 100 N 0.50 3.28 -2.82 -0.53 4.02 -1.26 -4.30 117.16 116.06 1nma n TYR 100 Ca 0.02 -3.05 0.00 0.00 -0.01 0.00 0.00 57.90 54.86 1nma n TYR 100 Cb 0.50 -1.40 0.01 0.00 -0.02 0.00 0.00 39.34 38.44 1nma n TYR 100 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1nma s ASP 100 N -0.76 -0.59 0.87 7.72 -1.08 -1.26 -5.10 116.67 116.47 1nma s ASP 100 Ca 0.31 -0.41 -0.12 0.00 -0.52 0.00 0.00 52.55 51.81 1nma s ASP 100 Cb -0.00 0.76 0.11 0.00 -1.46 0.00 0.00 42.92 42.33 1nma s ASP 100 CO 0.04 -0.05 1.13 0.61 0.52 0.00 0.00 175.17 177.42 1nma n GLY 100 N 3.51 -0.32 3.59 2.66 0.00 -1.26 -2.72 105.19 110.66 1nma n GLY 100 Ca 0.09 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1nma n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nma s PHE 100 N -2.40 2.61 -0.10 1.61 0.40 -1.26 -0.38 117.98 118.45 1nma s PHE 100 Ca 0.69 0.60 0.16 0.00 -0.60 0.00 0.00 56.93 57.78 1nma s PHE 100 Cb -0.26 -4.43 -0.17 0.00 0.51 0.00 0.00 43.02 38.68 1nma s PHE 100 CO 0.55 -1.59 0.77 -0.40 0.70 0.00 0.00 175.22 175.26 1nma n ASP 101 N 8.42 0.86 -3.97 1.36 5.68 0.27 -4.87 116.55 124.30 1nma n ASP 101 Ca 0.12 0.39 -0.17 0.00 -0.50 0.00 0.00 54.79 54.63 1nma n ASP 101 Cb 0.49 0.10 -0.15 0.00 -1.14 0.00 0.00 41.12 40.42 1nma n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1nma s TYR 102 N -2.82 0.57 0.19 2.11 2.02 -1.26 -5.04 117.35 113.12 1nma s TYR 102 Ca -0.03 -0.11 0.10 0.00 -0.37 0.00 0.00 57.07 56.65 1nma s TYR 102 Cb 0.08 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 41.23 1nma s TYR 102 CO 0.82 -0.02 -0.20 -1.58 -1.57 0.00 0.00 175.55 173.00 1nma s TRP 103 N -0.09 1.99 0.84 2.71 0.52 -1.26 -2.72 118.94 120.93 1nma s TRP 103 Ca 0.02 -0.43 -0.12 0.00 0.02 0.00 0.00 56.10 55.58 1nma s TRP 103 Cb -0.03 -0.96 0.19 0.00 -1.15 0.00 0.00 33.47 31.51 1nma s TRP 103 CO -0.00 0.43 1.15 0.41 0.02 0.00 0.00 176.95 178.95 1nma n GLY 104 N 0.10 -1.04 0.24 0.98 0.00 0.90 -4.63 105.19 101.74 1nma n GLY 104 Ca -0.11 -1.77 -0.07 0.00 0.00 0.00 0.00 46.02 44.06 1nma n GLY 104 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1nma h GLN 105 N 0.00 0.79 0.00 1.61 5.75 -1.82 -3.46 115.11 117.97 1nma h GLN 105 Ca -0.37 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1nma h GLN 105 Cb 1.08 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.49 1nma h GLN 105 CO 0.28 0.63 0.00 0.41 -2.65 0.00 0.00 178.83 177.51 1nma n GLY 106 N -0.96 1.38 3.35 2.39 0.00 -1.26 -5.06 105.19 105.04 1nma n GLY 106 Ca 0.03 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 1nma n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nma s THR 107 N 0.00 2.75 -0.16 2.61 -1.32 -0.26 -4.65 115.64 114.60 1nma s THR 107 Ca 0.00 -0.79 -0.21 0.00 -1.21 0.00 0.00 61.69 59.48 1nma s THR 107 Cb 0.00 -2.11 -0.03 0.00 -1.51 0.00 0.00 72.50 68.85 1nma s THR 107 CO 0.00 0.55 0.64 -0.89 -2.21 0.00 0.00 174.62 172.70 1nma s THR 108 N 0.10 5.04 -0.39 5.08 2.01 0.19 -1.38 115.64 126.30 1nma s THR 108 Ca -0.08 1.23 -0.16 0.00 0.31 0.00 0.00 61.69 62.99 1nma s THR 108 Cb -0.15 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.41 1nma s THR 108 CO 0.05 0.16 0.40 -0.22 -0.69 0.00 0.00 174.62 174.33 1nma s LEU 109 N 1.52 4.70 -0.15 4.42 2.96 0.85 -1.12 118.68 131.87 1nma s LEU 109 Ca 0.31 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1nma s LEU 109 Cb -0.16 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.19 1nma s LEU 109 CO 0.12 -0.48 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.61 1nma s THR 110 N 2.07 1.77 -0.08 3.68 2.01 -0.84 -2.43 115.64 121.81 1nma s THR 110 Ca 0.12 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 1nma s THR 110 Cb -0.17 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1nma s THR 110 CO 0.13 0.49 0.21 -0.69 -0.69 0.00 0.00 174.62 174.07 1nma s VAL 111 N 1.26 5.39 0.19 3.82 1.01 -1.26 0.07 120.40 130.88 1nma s VAL 111 Ca 0.01 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1nma s VAL 111 Cb -0.14 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1nma s VAL 111 CO -0.09 0.57 0.50 -0.44 0.00 0.00 0.00 175.10 175.65 1nma s SER 112 N -1.15 -0.23 0.00 3.32 0.01 0.84 -4.91 113.70 111.58 1nma s SER 112 Ca 0.19 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 56.94 1nma s SER 112 Cb -0.13 0.57 0.01 0.00 0.21 0.00 0.00 66.02 66.67 1nma s SER 112 CO 0.08 -1.04 0.52 -1.20 0.41 0.00 0.00 173.24 172.01