#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nvy n THR 2 N 0.00 3.54 -1.57 2.03 -1.04 -1.26 -5.01 114.28 110.98 2nvy n THR 2 Ca 0.00 -3.34 -0.62 0.00 -2.04 0.00 0.00 64.05 58.05 2nvy n THR 2 Cb 0.00 -1.23 -0.10 0.00 -1.82 0.00 0.00 70.33 67.18 2nvy n THR 2 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2nvy n THR 3 N -0.58 0.08 -4.41 12.58 -1.04 -1.26 -4.87 114.28 114.78 2nvy n THR 3 Ca 0.56 -0.04 -0.24 0.00 -2.04 0.00 0.00 64.05 62.29 2nvy n THR 3 Cb 0.49 -0.76 -0.11 0.00 -1.82 0.00 0.00 70.33 68.13 2nvy n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2nvy s PHE 4 N 4.42 2.16 0.12 -1.42 -0.12 -1.26 -5.03 117.98 116.84 2nvy s PHE 4 Ca 1.08 -0.39 0.10 0.00 -0.05 0.00 0.00 56.93 57.68 2nvy s PHE 4 Cb -1.35 -1.02 -0.04 0.00 -0.63 0.00 0.00 43.02 39.98 2nvy s PHE 4 CO 0.71 0.52 -0.22 1.03 -0.05 0.00 0.00 175.22 177.21 2nvy s ARG 5 N -3.02 1.63 0.09 1.99 0.52 -1.26 -5.05 118.95 113.85 2nvy s ARG 5 Ca 0.23 -1.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 2nvy s ARG 5 Cb -0.06 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 2nvy s ARG 5 CO 0.10 0.47 0.03 -0.06 0.02 0.00 0.00 175.30 175.87 2nvy s PHE 6 N -1.10 3.05 0.55 -0.53 0.40 -1.26 -2.19 117.98 116.90 2nvy s PHE 6 Ca 0.16 0.00 -0.20 0.00 -0.60 0.00 0.00 56.93 56.29 2nvy s PHE 6 Cb -0.10 -1.55 -0.07 0.00 0.51 0.00 0.00 43.02 41.80 2nvy s PHE 6 CO 0.08 0.50 0.90 0.00 0.70 0.00 0.00 175.22 177.40 2nvy h ARG 8 N 0.73 0.07 0.00 0.00 2.43 -1.99 -3.10 114.38 112.52 2nvy h ARG 8 Ca -0.47 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2nvy h ARG 8 Cb 1.36 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 2nvy h ARG 8 CO 0.52 0.36 0.00 -0.25 -1.51 0.00 0.00 179.97 179.09 2nvy n ASP 9 N -4.89 0.00 0.20 -3.80 8.00 -1.26 -4.55 116.55 110.25 2nvy n ASP 9 Ca -0.07 0.17 0.13 0.00 0.71 0.00 0.00 54.79 55.73 2nvy n ASP 9 Cb 0.18 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.65 2nvy n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nvy n ASN 11 N -2.80 -4.84 -3.33 0.00 5.15 -1.17 -4.99 115.26 103.27 2nvy n ASN 11 Ca 0.03 -0.26 -0.10 0.00 -0.60 0.00 0.00 54.58 53.65 2nvy n ASN 11 Cb 0.43 -3.60 0.04 0.00 -0.53 0.00 0.00 39.78 36.11 2nvy n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2nvy n ASN 12 N -1.35 0.89 -4.82 1.20 5.03 -1.26 -4.80 115.26 110.15 2nvy n ASN 12 Ca -0.05 -1.67 -0.37 0.00 0.87 0.00 0.00 54.58 53.36 2nvy n ASN 12 Cb 0.57 -0.23 -0.06 0.00 -1.02 0.00 0.00 39.78 39.04 2nvy n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 2nvy s MET 13 N -3.34 4.22 0.01 3.52 1.75 -1.26 -2.14 119.30 122.05 2nvy s MET 13 Ca 0.29 0.79 -0.12 0.00 -1.25 0.00 0.00 55.69 55.41 2nvy s MET 13 Cb -0.02 -3.01 -0.05 0.00 2.84 0.00 0.00 34.83 34.59 2nvy s MET 13 CO 0.19 0.48 0.36 -0.51 -0.65 0.00 0.00 175.02 174.89 2nvy s LEU 14 N -1.71 4.42 -0.07 4.11 1.43 -0.93 -4.43 118.68 121.51 2nvy s LEU 14 Ca 0.38 0.81 0.04 0.00 -1.03 0.00 0.00 54.13 54.34 2nvy s LEU 14 Cb -0.18 -2.63 -0.00 0.00 0.03 0.00 0.00 46.19 43.41 2nvy s LEU 14 CO 0.21 0.29 -0.20 -0.31 0.23 0.00 0.00 176.35 176.57 2nvy s TYR 15 N -1.18 2.03 0.15 0.29 1.51 -0.07 -4.84 117.35 115.23 2nvy s TYR 15 Ca 0.25 -0.69 -0.31 0.00 -1.01 0.00 0.00 57.07 55.31 2nvy s TYR 15 Cb -0.15 -1.37 -0.09 0.00 -0.11 0.00 0.00 41.96 40.24 2nvy s TYR 15 CO 0.14 -0.26 1.39 -1.25 -1.11 0.00 0.00 175.55 174.45 2nvy s PRO 16 N 0.20 4.32 0.08 -1.71 0.04 -1.26 -2.01 135.00 134.66 2nvy s PRO 16 Ca -0.10 2.12 0.05 0.00 0.04 0.00 0.00 61.00 63.11 2nvy s PRO 16 Cb -0.14 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2nvy s PRO 16 CO 0.05 -0.41 -0.13 1.03 0.04 0.00 0.00 177.00 177.58 2nvy s ARG 17 N 0.68 0.83 -0.11 4.56 1.81 -0.41 -4.90 118.95 121.42 2nvy s ARG 17 Ca 0.63 -1.02 -0.12 0.00 -1.72 0.00 0.00 55.73 53.49 2nvy s ARG 17 Cb -0.38 -0.72 -0.05 0.00 -0.45 0.00 0.00 34.95 33.35 2nvy s ARG 17 CO 0.33 0.15 0.28 -2.00 -0.68 0.00 0.00 175.30 173.38 2nvy s GLU 18 N -2.10 3.95 -0.94 3.54 2.12 -1.26 0.12 118.70 124.14 2nvy s GLU 18 Ca 0.01 0.11 -0.24 0.00 0.36 0.00 0.00 54.97 55.21 2nvy s GLU 18 Cb -0.08 -3.31 0.05 0.00 0.26 0.00 0.00 34.13 31.05 2nvy s GLU 18 CO 0.02 0.51 1.39 0.34 -0.54 0.00 0.00 175.26 176.97 2nvy s ASP 19 N -0.35 6.40 0.25 -1.70 3.68 0.34 -4.86 116.67 120.42 2nvy s ASP 19 Ca 0.18 -1.17 -0.04 0.00 2.13 0.00 0.00 52.55 53.64 2nvy s ASP 19 Cb -0.14 -2.56 0.44 0.00 -1.45 0.00 0.00 42.92 39.21 2nvy s ASP 19 CO 0.06 -1.59 1.77 0.11 0.13 0.00 0.00 175.17 175.64 2nvy h LYS 20 N 9.84 0.58 0.30 4.34 1.57 -1.95 0.56 116.57 131.81 2nvy h LYS 20 Ca 0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2nvy h LYS 20 Cb 1.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2nvy h LYS 20 CO 1.38 0.39 -0.14 0.93 -0.57 0.00 0.00 179.45 181.43 2nvy h GLU 21 N 0.60 -0.39 -0.00 3.15 5.08 -1.97 -3.30 114.58 117.75 2nvy h GLU 21 Ca 0.41 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2nvy h GLU 21 Cb 0.52 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2nvy h GLU 21 CO -0.33 -0.26 -0.00 0.09 -1.00 0.00 0.00 179.01 177.51 2nvy n ASN 22 N -3.36 0.12 -3.25 1.42 3.02 -1.21 -4.95 115.26 107.04 2nvy n ASN 22 Ca -0.05 -0.90 -0.07 0.00 -0.03 0.00 0.00 54.58 53.53 2nvy n ASN 22 Cb 0.16 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 2nvy n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2nvy n ASN 23 N -0.96 -7.03 -3.56 6.41 3.02 0.17 -5.05 115.26 108.26 2nvy n ASN 23 Ca 0.22 -0.32 -0.12 0.00 -0.03 0.00 0.00 54.58 54.33 2nvy n ASN 23 Cb 0.15 -4.42 -0.04 0.00 -0.61 0.00 0.00 39.78 34.86 2nvy n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nvy s ARG 24 N -3.56 1.76 -0.31 3.52 1.70 -1.12 -4.99 118.95 115.96 2nvy s ARG 24 Ca 0.02 -1.53 -0.09 0.00 -0.47 0.00 0.00 55.73 53.66 2nvy s ARG 24 Cb -0.01 0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 34.83 2nvy s ARG 24 CO 0.79 -0.73 0.13 -1.17 -1.08 0.00 0.00 175.30 173.24 2nvy s LEU 25 N -3.13 4.04 0.00 -1.89 2.96 -1.26 -0.51 118.68 118.89 2nvy s LEU 25 Ca 0.27 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2nvy s LEU 25 Cb -0.00 -1.97 0.12 0.00 0.50 0.00 0.00 46.19 44.84 2nvy s LEU 25 CO 0.15 -0.20 0.91 0.18 -1.32 0.00 0.00 176.35 176.07 2nvy n LEU 26 N 4.95 0.00 -3.12 -0.68 4.77 0.33 0.08 117.00 123.33 2nvy n LEU 26 Ca -0.14 -2.29 -0.12 0.00 -0.03 0.00 0.00 56.01 53.42 2nvy n LEU 26 Cb 0.49 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 2nvy n LEU 26 CO 0.33 -0.86 -0.06 -0.36 -1.33 0.00 0.00 177.39 175.11 2nvy s PHE 27 N -2.85 -0.63 0.72 -1.77 0.40 -0.37 -1.28 117.98 112.19 2nvy s PHE 27 Ca 0.64 -0.97 -0.13 0.00 -0.60 0.00 0.00 56.93 55.87 2nvy s PHE 27 Cb -0.04 -0.17 0.03 0.00 0.51 0.00 0.00 43.02 43.35 2nvy s PHE 27 CO 0.41 -1.08 1.10 -1.83 0.70 0.00 0.00 175.22 174.53 2nvy s GLU 28 N 0.93 2.50 0.42 0.44 -1.05 -0.85 -2.86 118.70 118.22 2nvy s GLU 28 Ca 0.26 1.28 -0.05 0.00 -0.15 0.00 0.00 54.97 56.31 2nvy s GLU 28 Cb -0.03 -1.92 -0.04 0.00 -0.44 0.00 0.00 34.13 31.70 2nvy s GLU 28 CO -0.08 -1.47 0.70 0.00 0.95 0.00 0.00 175.26 175.36 2nvy n ARG 30 N -1.87 2.72 0.00 0.00 1.85 -1.26 -4.77 116.66 113.33 2nvy n ARG 30 Ca -0.01 -2.41 0.00 0.00 -1.00 0.00 0.00 57.85 54.43 2nvy n ARG 30 Cb 0.55 -1.53 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 2nvy n ARG 30 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2nvy n THR 31 N -0.27 0.00 -0.81 8.89 -1.04 -1.26 -5.04 114.28 114.74 2nvy n THR 31 Ca 0.15 0.08 -0.11 0.00 -2.04 0.00 0.00 64.05 62.13 2nvy n THR 31 Cb 0.64 -0.94 0.09 0.00 -1.82 0.00 0.00 70.33 68.30 2nvy n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nvy n SER 33 N -3.65 3.32 -4.58 0.00 7.64 -1.26 -4.65 113.62 110.45 2nvy n SER 33 Ca 0.06 -1.97 -0.40 0.00 1.01 0.00 0.00 58.87 57.57 2nvy n SER 33 Cb 0.22 -0.33 0.03 0.00 -1.01 0.00 0.00 64.21 63.12 2nvy n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nvy n TYR 34 N 1.35 0.63 -3.70 1.43 9.36 -1.26 -4.81 117.16 120.16 2nvy n TYR 34 Ca 0.20 0.51 -0.14 0.00 3.32 0.00 0.00 57.90 61.79 2nvy n TYR 34 Cb 0.56 -2.14 -0.09 0.00 -0.63 0.00 0.00 39.34 37.04 2nvy n TYR 34 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2nvy s VAL 35 N -1.44 0.02 0.04 2.97 0.11 -1.26 -1.27 120.40 119.57 2nvy s VAL 35 Ca 0.68 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.62 2nvy s VAL 35 Cb -0.50 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 2nvy s VAL 35 CO 0.54 -0.08 -0.09 -1.83 -3.33 0.00 0.00 175.10 170.31 2nvy s GLU 36 N -0.42 0.60 0.63 1.54 -1.05 -1.13 -4.95 118.70 113.92 2nvy s GLU 36 Ca -0.06 -0.71 -0.18 0.00 -0.15 0.00 0.00 54.97 53.88 2nvy s GLU 36 Cb -0.03 -0.47 -0.02 0.00 -0.44 0.00 0.00 34.13 33.17 2nvy s GLU 36 CO 0.03 0.10 1.20 -0.85 0.95 0.00 0.00 175.26 176.69 2nvy n GLU 37 N 1.70 1.08 -2.74 -4.83 0.28 -1.26 -1.24 120.64 113.62 2nvy n GLU 37 Ca -0.21 0.42 -0.37 0.00 -0.16 0.00 0.00 57.16 56.84 2nvy n GLU 37 Cb 0.55 -2.43 -0.06 0.00 1.43 0.00 0.00 31.44 30.93 2nvy n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2nvy s ALA 38 N -1.42 3.20 0.00 -1.84 0.00 0.11 -4.83 121.76 116.99 2nvy s ALA 38 Ca 0.80 0.56 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2nvy s ALA 38 Cb -0.39 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2nvy s ALA 38 CO 0.43 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.71 2nvy n GLY 39 N 0.54 -0.23 3.73 0.00 0.00 -1.26 -4.91 105.19 103.06 2nvy n GLY 39 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2nvy n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nvy s SER 40 N -1.53 3.44 0.00 1.61 1.04 -1.26 -4.96 113.70 112.05 2nvy s SER 40 Ca 0.00 1.34 0.23 0.00 0.48 0.00 0.00 55.95 58.00 2nvy s SER 40 Cb 0.00 -2.02 0.83 0.00 0.10 0.00 0.00 66.02 64.94 2nvy s SER 40 CO 0.00 -2.64 1.60 -0.81 0.98 0.00 0.00 173.24 172.37 2nvy n PRO 41 N -3.87 1.70 -2.57 4.02 -0.04 -1.26 -4.86 135.00 128.11 2nvy n PRO 41 Ca 0.07 -1.05 -0.43 0.00 -0.04 0.00 0.00 63.50 62.05 2nvy n PRO 41 Cb 0.56 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 2nvy n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2nvy s LEU 42 N -1.67 3.68 -0.08 1.53 2.96 -1.26 -4.86 118.68 118.97 2nvy s LEU 42 Ca 0.34 0.62 0.14 0.00 -0.22 0.00 0.00 54.13 55.01 2nvy s LEU 42 Cb 0.18 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 43.09 2nvy s LEU 42 CO 0.28 -1.21 0.51 0.52 -1.32 0.00 0.00 176.35 175.12 2nvy n VAL 43 N 6.70 1.52 -3.80 1.68 0.31 -1.26 -4.88 118.33 118.60 2nvy n VAL 43 Ca 0.13 -0.81 -0.13 0.00 -0.01 0.00 0.00 64.34 63.52 2nvy n VAL 43 Cb 0.48 -0.86 -0.10 0.00 -0.91 0.00 0.00 33.84 32.46 2nvy n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2nvy s TYR 44 N -2.59 -0.16 -0.14 3.52 5.04 -1.26 -5.00 117.35 116.76 2nvy s TYR 44 Ca -0.06 0.32 -0.08 0.00 -2.44 0.00 0.00 57.07 54.81 2nvy s TYR 44 Cb 0.07 0.06 0.05 0.00 0.35 0.00 0.00 41.96 42.49 2nvy s TYR 44 CO 0.83 -0.28 0.34 0.50 -1.34 0.00 0.00 175.55 175.59 2nvy s ARG 45 N -0.84 0.33 -0.30 4.97 6.06 -1.26 -5.02 118.95 122.89 2nvy s ARG 45 Ca -0.09 0.63 0.02 0.00 -2.50 0.00 0.00 55.73 53.78 2nvy s ARG 45 Cb -0.05 -0.01 0.09 0.00 0.06 0.00 0.00 34.95 35.04 2nvy s ARG 45 CO 0.02 -0.14 0.03 -1.58 -2.50 0.00 0.00 175.30 171.13 2nvy s HIS 46 N 1.08 2.78 -0.77 5.12 5.65 -1.26 -4.95 115.29 122.95 2nvy s HIS 46 Ca -0.07 -2.27 -0.22 0.00 0.25 0.00 0.00 55.06 52.74 2nvy s HIS 46 Cb -0.08 -2.17 0.08 0.00 -1.18 0.00 0.00 32.58 29.24 2nvy s HIS 46 CO -0.08 -0.88 1.09 -1.21 -0.65 0.00 0.00 174.74 173.00 2nvy s GLU 47 N 1.25 3.29 0.06 2.88 2.02 -1.26 -4.91 118.70 122.03 2nvy s GLU 47 Ca 0.05 -1.04 -0.32 0.00 0.02 0.00 0.00 54.97 53.68 2nvy s GLU 47 Cb -0.19 -4.51 -0.18 0.00 0.10 0.00 0.00 34.13 29.35 2nvy s GLU 47 CO -0.12 -1.88 1.56 -0.07 0.02 0.00 0.00 175.26 174.76 2nvy h LEU 48 N 11.42 -0.71 -7.85 1.80 3.38 -2.08 -3.36 115.31 117.91 2nvy h LEU 48 Ca -0.12 0.01 -0.75 0.00 0.09 0.00 0.00 57.88 57.10 2nvy h LEU 48 Cb 1.05 0.18 -0.29 0.00 0.09 0.00 0.00 40.66 41.70 2nvy h LEU 48 CO 1.20 -0.47 -0.19 -0.63 0.09 0.00 0.00 178.44 178.44 2nvy s ILE 49 N -5.83 4.75 0.53 1.22 1.01 -1.26 -5.07 121.20 116.56 2nvy s ILE 49 Ca -0.17 -2.23 -0.05 0.00 0.00 0.00 0.00 60.65 58.20 2nvy s ILE 49 Cb 0.03 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 2nvy s ILE 49 CO 0.60 -0.90 0.84 -0.89 0.00 0.00 0.00 174.94 174.58 2nvy s THR 50 N 0.68 4.23 -0.01 2.92 2.01 -1.26 -5.05 115.64 119.16 2nvy s THR 50 Ca 0.12 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 2nvy s THR 50 Cb -0.20 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 2nvy s THR 50 CO -0.04 -0.63 -0.02 0.59 -0.69 0.00 0.00 174.62 173.83 2nvy n ASN 51 N -2.41 0.17 -4.69 3.53 4.13 -1.26 -5.04 115.26 109.69 2nvy n ASN 51 Ca 0.03 0.03 -0.51 0.00 1.68 0.00 0.00 54.58 55.80 2nvy n ASN 51 Cb 0.56 -0.06 -0.05 0.00 -1.54 0.00 0.00 39.78 38.69 2nvy n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2nvy n ILE 52 N -3.10 0.51 0.00 2.41 0.13 -1.26 -1.92 119.36 116.13 2nvy n ILE 52 Ca -0.03 -0.09 0.00 0.00 -1.10 0.00 0.00 62.75 61.53 2nvy n ILE 52 Cb 0.50 -1.70 0.00 0.00 -0.84 0.00 0.00 39.64 37.60 2nvy n ILE 52 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2nvy n GLY 53 N 4.37 1.87 0.21 4.50 0.00 -1.26 -4.97 105.19 109.90 2nvy n GLY 53 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 2nvy n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2nvy h GLU 54 N 0.00 0.25 0.02 1.61 5.08 -1.68 -2.99 114.58 116.87 2nvy h GLU 54 Ca 0.00 -0.10 -0.28 0.00 -1.00 0.00 0.00 59.36 57.98 2nvy h GLU 54 Cb 0.00 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2nvy h GLU 54 CO 0.00 0.56 -1.53 1.15 -1.00 0.00 0.00 179.01 178.19 2nvy h THR 55 N 0.22 1.09 -1.09 1.13 2.02 -1.83 -3.12 112.91 111.32 2nvy h THR 55 Ca 0.03 -2.87 -0.82 0.00 0.77 0.00 0.00 66.41 63.51 2nvy h THR 55 Cb 0.69 2.57 0.01 0.00 -1.74 0.00 0.00 68.15 69.68 2nvy h THR 55 CO 0.05 0.67 0.82 0.00 0.37 0.00 0.00 175.52 177.43 2nvy n ALA 56 N -2.54 -0.83 0.00 6.16 0.00 -1.20 -2.46 120.51 119.64 2nvy n ALA 56 Ca -0.13 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2nvy n ALA 56 Cb 1.02 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2nvy n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nvy n GLY 57 N 4.39 1.64 3.55 0.00 0.00 -1.26 -4.82 105.19 108.70 2nvy n GLY 57 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 2nvy n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nvy s VAL 58 N -1.09 3.30 0.26 1.61 1.01 -1.03 -4.86 120.40 119.61 2nvy s VAL 58 Ca 0.00 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.26 2nvy s VAL 58 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2nvy s VAL 58 CO 0.00 -0.76 -0.02 -0.69 0.00 0.00 0.00 175.10 173.63 2nvy s VAL 59 N 9.49 3.37 -0.09 2.92 1.01 -1.26 -5.00 120.40 130.84 2nvy s VAL 59 Ca 0.72 -1.93 0.15 0.00 0.00 0.00 0.00 61.98 60.92 2nvy s VAL 59 Cb -0.14 -2.79 0.15 0.00 0.00 0.00 0.00 36.38 33.60 2nvy s VAL 59 CO 0.22 -0.36 1.37 1.67 0.00 0.00 0.00 175.10 178.00 2nvy n GLN 60 N -0.81 0.10 0.00 2.72 -0.06 -1.26 -2.21 117.38 115.86 2nvy n GLN 60 Ca -0.07 0.58 0.04 0.00 -2.00 0.00 0.00 57.00 55.55 2nvy n GLN 60 Cb 0.59 -2.03 -0.01 0.00 -4.06 0.00 0.00 30.24 24.72 2nvy n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2nvy n ASP 61 N -2.07 0.87 -0.50 1.69 8.00 -1.26 -4.76 116.55 118.52 2nvy n ASP 61 Ca -0.01 -0.94 0.40 0.00 0.71 0.00 0.00 54.79 54.96 2nvy n ASP 61 Cb 0.23 0.64 0.66 0.00 -0.02 0.00 0.00 41.12 42.63 2nvy n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nvy n ILE 62 N -0.57 -0.17 0.12 0.53 3.06 -0.94 0.19 119.36 121.59 2nvy n ILE 62 Ca 0.03 1.58 0.02 0.00 -2.50 0.00 0.00 62.75 61.88 2nvy n ILE 62 Cb 0.16 -2.60 0.00 0.00 0.54 0.00 0.00 39.64 37.74 2nvy n ILE 62 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 2nvy h GLY 63 N 0.00 0.00 2.00 4.50 0.00 -1.86 -3.01 103.07 104.71 2nvy h GLY 63 Ca 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 48.13 2nvy h GLY 63 CO -0.31 0.00 -0.11 1.48 0.00 0.00 0.00 176.54 177.60 2nvy h SER 64 N 0.00 0.00 -1.68 0.19 4.64 0.18 -3.42 113.55 113.45 2nvy h SER 64 Ca -0.03 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.80 2nvy h SER 64 Cb 1.42 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.52 2nvy h SER 64 CO 0.06 0.11 1.61 -0.67 -0.87 0.00 0.00 176.83 177.08 2nvy n ASP 65 N -3.57 2.51 0.22 4.97 2.03 -1.14 -4.87 116.55 116.71 2nvy n ASP 65 Ca -0.02 -0.38 0.10 0.00 0.52 0.00 0.00 54.79 55.01 2nvy n ASP 65 Cb 0.24 -1.58 0.46 0.00 -0.72 0.00 0.00 41.12 39.52 2nvy n ASP 65 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2nvy h PRO 66 N 18.80 0.00 0.00 -0.67 0.13 -1.89 -2.30 132.00 146.08 2nvy h PRO 66 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2nvy h PRO 66 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2nvy h PRO 66 CO 1.12 0.23 -0.00 1.79 -0.23 0.00 0.00 178.00 180.91 2nvy h THR 67 N 0.00 0.00 -3.89 1.56 1.35 -1.96 -3.44 112.91 106.52 2nvy h THR 67 Ca -0.00 -0.65 -0.52 0.00 -0.55 0.00 0.00 66.41 64.69 2nvy h THR 67 Cb 0.75 1.65 0.06 0.00 -1.73 0.00 0.00 68.15 68.88 2nvy h THR 67 CO 0.03 0.00 0.57 -0.76 -0.25 0.00 0.00 175.52 175.11 2nvy s LEU 68 N -6.19 4.36 0.42 3.87 1.43 -0.87 -5.01 118.68 116.69 2nvy s LEU 68 Ca 0.03 2.52 -0.21 0.00 -1.03 0.00 0.00 54.13 55.44 2nvy s LEU 68 Cb 0.08 -3.78 -0.11 0.00 0.03 0.00 0.00 46.19 42.41 2nvy s LEU 68 CO 0.58 -0.55 0.95 -2.16 0.23 0.00 0.00 176.35 175.40 2nvy s PRO 69 N -1.93 4.25 -0.12 1.29 0.04 -1.25 -4.93 135.00 132.34 2nvy s PRO 69 Ca 0.51 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2nvy s PRO 69 Cb -0.36 -2.23 0.02 0.00 0.04 0.00 0.00 34.50 31.97 2nvy s PRO 69 CO 0.46 -0.00 -0.11 1.03 0.04 0.00 0.00 177.00 178.43 2nvy s ARG 70 N -3.09 1.83 0.53 4.56 0.52 -1.26 -0.87 118.95 121.18 2nvy s ARG 70 Ca 0.61 -0.38 0.06 0.00 -0.52 0.00 0.00 55.73 55.49 2nvy s ARG 70 Cb -0.10 -1.76 0.03 0.00 0.52 0.00 0.00 34.95 33.64 2nvy s ARG 70 CO 0.14 -0.22 0.39 -1.54 0.02 0.00 0.00 175.30 174.08 2nvy s SER 71 N 1.52 4.63 -0.26 0.23 1.04 -1.21 -5.01 113.70 114.66 2nvy s SER 71 Ca 0.03 -1.23 0.14 0.00 0.48 0.00 0.00 55.95 55.37 2nvy s SER 71 Cb -0.13 0.35 0.47 0.00 0.10 0.00 0.00 66.02 66.81 2nvy s SER 71 CO -0.08 -1.06 1.16 -0.90 0.98 0.00 0.00 173.24 173.34 2nvy n ASP 72 N -1.73 3.26 -4.30 7.02 5.75 -1.26 -3.38 116.55 121.91 2nvy n ASP 72 Ca -0.02 -3.07 -0.29 0.00 -0.01 0.00 0.00 54.79 51.40 2nvy n ASP 72 Cb 0.64 -0.40 0.19 0.00 -1.03 0.00 0.00 41.12 40.52 2nvy n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2nvy s ARG 73 N -3.42 0.13 -0.16 0.11 0.52 -1.26 -4.85 118.95 110.01 2nvy s ARG 73 Ca 0.41 0.03 -0.03 0.00 -0.52 0.00 0.00 55.73 55.62 2nvy s ARG 73 Cb 0.37 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 34.08 2nvy s ARG 73 CO -0.01 -2.83 -0.04 -1.21 0.02 0.00 0.00 175.30 171.23 2nvy s GLU 74 N -5.42 3.60 -0.09 3.54 2.02 -1.26 -4.22 118.70 116.87 2nvy s GLU 74 Ca 0.69 -0.55 -0.30 0.00 0.02 0.00 0.00 54.97 54.83 2nvy s GLU 74 Cb -0.11 -2.91 -0.02 0.00 0.10 0.00 0.00 34.13 31.18 2nvy s GLU 74 CO 0.55 0.16 1.18 0.00 0.02 0.00 0.00 175.26 177.17 2nvy n PRO 76 N 5.54 0.00 0.00 0.00 -0.02 -1.26 -1.34 135.00 137.92 2nvy n PRO 76 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2nvy n PRO 76 Cb 0.46 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 2nvy n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2nvy n LYS 77 N 1.23 0.00 0.00 -0.52 5.02 -1.26 -4.98 118.16 117.64 2nvy n LYS 77 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2nvy n LYS 77 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 2nvy n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nvy n HIS 79 N -0.08 0.00 -2.26 0.00 8.25 -0.45 -4.94 115.22 115.74 2nvy n HIS 79 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2nvy n HIS 79 Cb 0.23 -1.46 -0.03 0.00 1.12 0.00 0.00 29.99 29.85 2nvy n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2nvy s SER 80 N -1.85 6.92 -0.24 0.41 1.04 -1.26 -4.46 113.70 114.26 2nvy s SER 80 Ca 0.00 2.21 0.02 0.00 0.48 0.00 0.00 55.95 58.66 2nvy s SER 80 Cb 0.00 -2.58 0.35 0.00 0.10 0.00 0.00 66.02 63.89 2nvy s SER 80 CO 0.00 -0.59 1.50 0.54 0.98 0.00 0.00 173.24 175.67 2nvy n ARG 81 N 3.97 1.66 -3.10 4.02 1.74 -1.26 -4.21 116.66 119.48 2nvy n ARG 81 Ca 0.11 -1.58 -0.44 0.00 -0.77 0.00 0.00 57.85 55.16 2nvy n ARG 81 Cb 0.44 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2nvy n ARG 81 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2nvy n GLU 82 N -0.35 3.62 -4.26 5.56 -0.58 -1.26 -4.43 120.64 118.94 2nvy n GLU 82 Ca 0.32 -4.22 -0.25 0.00 -0.42 0.00 0.00 57.16 52.59 2nvy n GLU 82 Cb 1.11 -2.72 -0.08 0.00 -0.57 0.00 0.00 31.44 29.18 2nvy n GLU 82 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2nvy s ASN 83 N 1.32 4.58 -0.17 1.62 0.01 -1.22 -0.91 114.94 120.18 2nvy s ASN 83 Ca 0.35 -0.55 -0.05 0.00 -0.71 0.00 0.00 52.86 51.90 2nvy s ASN 83 Cb -0.04 -0.89 0.06 0.00 0.41 0.00 0.00 41.25 40.79 2nvy s ASN 83 CO -0.02 0.04 0.10 0.54 -1.51 0.00 0.00 177.10 176.25 2nvy s VAL 84 N -2.03 -0.11 0.00 1.60 0.11 -0.91 -3.31 120.40 115.75 2nvy s VAL 84 Ca 0.29 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 2nvy s VAL 84 Cb -0.08 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 2nvy s VAL 84 CO 0.19 -0.26 -0.03 0.72 -3.33 0.00 0.00 175.10 172.39 2nvy s PHE 85 N 2.16 3.00 0.12 1.54 -0.12 -0.05 -1.74 117.98 122.89 2nvy s PHE 85 Ca 0.02 0.03 -0.00 0.00 -0.05 0.00 0.00 56.93 56.93 2nvy s PHE 85 Cb -0.16 -1.64 -0.04 0.00 -0.63 0.00 0.00 43.02 40.55 2nvy s PHE 85 CO -0.09 0.43 0.03 -0.59 -0.05 0.00 0.00 175.22 174.95 2nvy s PHE 86 N -1.05 0.86 0.56 3.49 -0.12 0.29 -3.97 117.98 118.03 2nvy s PHE 86 Ca 0.19 -1.16 -0.07 0.00 -0.05 0.00 0.00 56.93 55.83 2nvy s PHE 86 Cb -0.11 -0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 41.76 2nvy s PHE 86 CO 0.09 -0.44 0.89 -0.65 -0.05 0.00 0.00 175.22 175.06 2nvy s GLN 87 N -4.00 3.30 -0.39 1.99 -0.21 -1.26 0.39 119.66 119.48 2nvy s GLN 87 Ca 0.21 0.25 -0.42 0.00 0.02 0.00 0.00 55.36 55.42 2nvy s GLN 87 Cb 0.07 -2.26 -0.17 0.00 1.00 0.00 0.00 33.01 31.65 2nvy s GLN 87 CO -0.00 -0.49 1.87 0.45 -2.12 0.00 0.00 175.29 174.99 2nvy n SER 88 N -2.51 1.73 0.25 5.90 2.88 -1.10 -4.80 113.62 115.97 2nvy n SER 88 Ca 0.03 0.91 0.16 0.00 -1.33 0.00 0.00 58.87 58.65 2nvy n SER 88 Cb 0.56 -1.05 0.66 0.00 -0.75 0.00 0.00 64.21 63.63 2nvy n SER 88 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2nvy h GLN 89 N 7.92 0.00 -6.56 -1.46 1.08 -1.69 -3.43 115.11 110.97 2nvy h GLN 89 Ca -0.35 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.26 2nvy h GLN 89 Cb 1.35 0.00 0.15 0.00 -0.05 0.00 0.00 27.48 28.93 2nvy h GLN 89 CO 1.00 0.00 -0.09 1.04 -0.95 0.00 0.00 178.83 179.83 2nvy n GLN 90 N -2.90 0.93 -2.02 1.46 6.02 -1.14 -4.90 117.38 114.84 2nvy n GLN 90 Ca 0.01 0.34 -0.28 0.00 -0.01 0.00 0.00 57.00 57.06 2nvy n GLN 90 Cb 0.28 -1.85 0.03 0.00 1.02 0.00 0.00 30.24 29.71 2nvy n GLN 90 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2nvy n ARG 91 N 0.08 3.33 -2.64 -1.09 5.12 -1.26 -5.01 116.66 115.20 2nvy n ARG 91 Ca 0.11 -4.06 -0.30 0.00 -1.93 0.00 0.00 57.85 51.67 2nvy n ARG 91 Cb 0.42 -2.27 -0.02 0.00 -1.16 0.00 0.00 32.46 29.42 2nvy n ARG 91 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2nvy s ARG 92 N -3.67 3.76 -0.01 5.56 0.52 -1.26 -5.01 118.95 118.85 2nvy s ARG 92 Ca 0.53 0.56 -0.25 0.00 -0.52 0.00 0.00 55.73 56.04 2nvy s ARG 92 Cb 0.43 -2.31 -0.19 0.00 0.52 0.00 0.00 34.95 33.40 2nvy s ARG 92 CO -0.07 -0.16 1.30 0.87 0.02 0.00 0.00 175.30 177.26 2nvy h LYS 93 N 0.89 -0.05 -1.83 3.54 1.57 -2.02 -3.27 116.57 115.40 2nvy h LYS 93 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2nvy h LYS 93 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2nvy h LYS 93 CO 0.63 0.35 0.00 -0.40 -0.57 0.00 0.00 179.45 179.46 2nvy n ASP 94 N -4.92 3.09 -4.90 0.86 5.75 -1.26 -4.75 116.55 110.42 2nvy n ASP 94 Ca -0.08 -1.76 -0.31 0.00 -0.01 0.00 0.00 54.79 52.63 2nvy n ASP 94 Cb 0.23 -0.63 -0.05 0.00 -1.03 0.00 0.00 41.12 39.64 2nvy n ASP 94 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2nvy s THR 95 N 0.60 5.10 0.84 2.12 2.01 -1.24 -5.10 115.64 119.98 2nvy s THR 95 Ca 0.00 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 2nvy s THR 95 Cb 0.00 -3.64 0.12 0.00 0.01 0.00 0.00 72.50 68.98 2nvy s THR 95 CO 0.00 -0.05 1.20 -0.94 -0.69 0.00 0.00 174.62 174.14 2nvy s SER 96 N -2.57 4.08 -0.15 3.53 1.04 -1.26 -4.97 113.70 113.40 2nvy s SER 96 Ca 0.43 0.52 0.09 0.00 0.48 0.00 0.00 55.95 57.46 2nvy s SER 96 Cb -0.12 -0.88 0.52 0.00 0.10 0.00 0.00 66.02 65.65 2nvy s SER 96 CO 0.25 -2.14 1.30 0.23 0.98 0.00 0.00 173.24 173.86 2nvy n MET 97 N -3.39 3.44 -1.68 4.02 2.81 -1.26 -4.72 117.12 116.34 2nvy n MET 97 Ca 0.11 -2.00 -0.56 0.00 -1.81 0.00 0.00 57.70 53.44 2nvy n MET 97 Cb 0.60 -1.97 -0.07 0.00 -0.71 0.00 0.00 33.22 31.08 2nvy n MET 97 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2nvy n VAL 98 N 0.42 0.21 -3.25 2.03 0.31 -1.26 -4.92 118.33 111.87 2nvy n VAL 98 Ca 0.18 -0.04 -0.34 0.00 -0.01 0.00 0.00 64.34 64.12 2nvy n VAL 98 Cb 0.84 -1.08 -0.06 0.00 -0.91 0.00 0.00 33.84 32.63 2nvy n VAL 98 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2nvy s LEU 99 N 2.66 4.25 -0.07 7.52 1.43 -1.26 -2.72 118.68 130.48 2nvy s LEU 99 Ca 0.95 1.19 0.04 0.00 -1.03 0.00 0.00 54.13 55.27 2nvy s LEU 99 Cb -1.05 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 41.55 2nvy s LEU 99 CO 0.61 -0.01 -0.19 -0.36 0.23 0.00 0.00 176.35 176.63 2nvy s PHE 100 N -1.65 2.61 0.10 0.29 0.40 0.16 -1.79 117.98 118.10 2nvy s PHE 100 Ca 0.44 -0.55 0.08 0.00 -0.60 0.00 0.00 56.93 56.30 2nvy s PHE 100 Cb -0.14 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.68 2nvy s PHE 100 CO 0.20 -0.11 -0.13 -0.06 0.70 0.00 0.00 175.22 175.82 2nvy s PHE 101 N -0.18 2.67 -0.17 0.36 0.40 0.26 -0.55 117.98 120.76 2nvy s PHE 101 Ca -0.02 -0.19 -0.00 0.00 -0.60 0.00 0.00 56.93 56.12 2nvy s PHE 101 Cb -0.13 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 41.99 2nvy s PHE 101 CO 0.03 0.40 -0.15 0.08 0.70 0.00 0.00 175.22 176.29 2nvy s VAL 102 N -1.17 2.61 -0.02 -0.44 1.01 -0.71 -1.55 120.40 120.12 2nvy s VAL 102 Ca 0.20 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2nvy s VAL 102 Cb -0.11 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 2nvy s VAL 102 CO 0.12 0.51 1.57 0.00 0.00 0.00 0.00 175.10 177.29 2nvy n LEU 104 N 6.36 1.47 -0.13 0.00 4.77 -0.09 -0.76 117.00 128.62 2nvy n LEU 104 Ca 0.16 -0.55 -0.27 0.00 -0.03 0.00 0.00 56.01 55.31 2nvy n LEU 104 Cb 0.43 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 2nvy n LEU 104 CO 0.61 0.28 -1.29 -1.20 -1.33 0.00 0.00 177.39 174.46 2nvy n SER 105 N 0.16 1.95 -0.53 -1.43 7.64 -1.26 -4.62 113.62 115.52 2nvy n SER 105 Ca 0.18 0.29 0.05 0.00 1.01 0.00 0.00 58.87 60.41 2nvy n SER 105 Cb 0.32 -0.80 0.14 0.00 -1.01 0.00 0.00 64.21 62.87 2nvy n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nvy n SER 107 N 0.00 -2.84 -4.70 0.00 3.41 0.06 -4.96 113.62 104.60 2nvy n SER 107 Ca 0.12 -1.01 -0.37 0.00 -0.26 0.00 0.00 58.87 57.35 2nvy n SER 107 Cb 0.50 -2.83 -0.08 0.00 -0.26 0.00 0.00 64.21 61.54 2nvy n SER 107 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2nvy s HIS 108 N -3.42 3.40 -0.20 7.33 5.65 -1.15 -4.77 115.29 122.14 2nvy s HIS 108 Ca 0.61 0.49 -0.24 0.00 0.25 0.00 0.00 55.06 56.17 2nvy s HIS 108 Cb -0.33 -2.35 -0.01 0.00 -1.18 0.00 0.00 32.58 28.70 2nvy s HIS 108 CO 0.92 0.14 0.80 0.42 -0.65 0.00 0.00 174.74 176.37 2nvy s ILE 109 N 0.80 4.89 0.42 0.89 1.01 -1.26 -0.05 121.20 127.90 2nvy s ILE 109 Ca 0.14 1.54 0.03 0.00 0.00 0.00 0.00 60.65 62.37 2nvy s ILE 109 Cb -0.13 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 2nvy s ILE 109 CO 0.04 0.01 0.11 0.72 0.00 0.00 0.00 174.94 175.82 2nvy s PHE 110 N 2.33 1.81 0.03 3.97 -0.12 -0.60 -4.97 117.98 120.43 2nvy s PHE 110 Ca 0.36 -1.23 0.02 0.00 -0.05 0.00 0.00 56.93 56.02 2nvy s PHE 110 Cb -0.16 -1.23 -0.02 0.00 -0.63 0.00 0.00 43.02 40.98 2nvy s PHE 110 CO 0.10 -0.22 -0.06 0.99 -0.05 0.00 0.00 175.22 175.99 2nvy s THR 111 N -3.16 0.41 -0.60 -4.49 2.01 -1.26 -0.57 115.64 107.98 2nvy s THR 111 Ca 0.22 -0.94 0.24 0.00 0.31 0.00 0.00 61.69 61.52 2nvy s THR 111 Cb 0.03 -0.49 0.10 0.00 0.01 0.00 0.00 72.50 72.14 2nvy s THR 111 CO 0.13 -0.36 1.38 0.77 -0.69 0.00 0.00 174.62 175.85 2nvy h SER 112 N 4.71 0.00 -1.69 3.53 4.64 -1.73 -3.46 113.55 119.55 2nvy h SER 112 Ca -0.34 -0.14 -0.66 0.00 -0.47 0.00 0.00 61.79 60.18 2nvy h SER 112 Cb 1.20 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2nvy h SER 112 CO 0.42 0.07 1.15 -0.67 -0.87 0.00 0.00 176.83 176.93 2nvy n ASP 113 N -2.26 2.88 -0.04 4.97 -0.08 -1.26 -4.86 116.55 115.90 2nvy n ASP 113 Ca 0.03 0.83 0.14 0.00 -1.51 0.00 0.00 54.79 54.28 2nvy n ASP 113 Cb 0.46 -1.30 0.56 0.00 2.34 0.00 0.00 41.12 43.18 2nvy n ASP 113 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2nvy n GLN 114 N 6.84 0.30 -1.87 -0.67 6.02 -1.26 -3.88 117.38 122.85 2nvy n GLN 114 Ca 0.28 -0.08 -0.38 0.00 -0.01 0.00 0.00 57.00 56.81 2nvy n GLN 114 Cb 0.25 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.05 2nvy n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2nvy n LYS 115 N -1.28 2.82 -1.73 -1.09 5.02 -1.26 -5.04 118.16 115.60 2nvy n LYS 115 Ca 0.10 -3.58 -0.42 0.00 -2.02 0.00 0.00 58.31 52.38 2nvy n LYS 115 Cb 0.30 -2.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.01 2nvy n LYS 115 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2nvy s ASN 116 N -1.48 6.24 -0.11 4.39 0.01 -1.25 -4.87 114.94 117.86 2nvy s ASN 116 Ca 0.54 2.35 0.05 0.00 -0.71 0.00 0.00 52.86 55.10 2nvy s ASN 116 Cb 0.45 -2.53 -0.11 0.00 0.41 0.00 0.00 41.25 39.47 2nvy s ASN 116 CO -0.32 -1.27 -0.03 0.29 -1.51 0.00 0.00 177.10 174.26 2nvy n LYS 117 N 7.79 1.45 -2.71 -0.60 5.02 -1.26 -5.07 118.16 122.78 2nvy n LYS 117 Ca 0.22 0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.30 2nvy n LYS 117 Cb 0.43 -1.26 0.03 0.00 -0.02 0.00 0.00 35.03 34.20 2nvy n LYS 117 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nvy s ARG 118 N -2.25 2.83 -0.11 1.97 0.52 -1.26 -5.06 118.95 115.58 2nvy s ARG 118 Ca -0.11 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 54.67 2nvy s ARG 118 Cb 0.04 -2.45 -0.08 0.00 0.52 0.00 0.00 34.95 32.97 2nvy s ARG 118 CO 0.37 -0.55 -0.08 2.41 0.02 0.00 0.00 175.30 177.46 2nvy n THR 119 N -2.31 0.67 -0.03 0.02 -1.04 -1.26 -4.78 114.28 105.54 2nvy n THR 119 Ca 0.04 -0.28 0.04 0.00 -2.04 0.00 0.00 64.05 61.82 2nvy n THR 119 Cb 0.58 -0.89 -0.15 0.00 -1.82 0.00 0.00 70.33 68.05 2nvy n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nvy n GLN 120 N -2.77 0.71 -0.77 -2.82 6.02 -1.26 -4.99 117.38 111.50 2nvy n GLN 120 Ca -0.20 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 2nvy n GLN 120 Cb 0.74 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.51 2nvy n GLN 120 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2nvy n PHE 121 N -2.35 0.00 1.80 1.08 3.01 -1.26 -5.08 117.46 114.65 2nvy n PHE 121 Ca -0.12 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.49 2nvy n PHE 121 Cb 0.70 -1.15 0.85 0.00 -0.01 0.00 0.00 39.48 39.87 2nvy n PHE 121 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64