#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4x s SER 2 N 0.00 0.95 -0.35 1.61 1.04 -1.26 -5.13 113.70 110.57 1x4x s SER 2 Ca 0.00 -0.35 -0.11 0.00 0.48 0.00 0.00 55.95 55.97 1x4x s SER 2 Cb 0.00 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.09 1x4x s SER 2 CO 0.00 -0.04 0.20 -0.55 0.98 0.00 0.00 173.24 173.82 1x4x s SER 3 N -0.89 5.73 -1.14 7.02 0.15 -1.26 -4.67 113.70 118.64 1x4x s SER 3 Ca -0.03 -0.73 -0.27 0.00 0.70 0.00 0.00 55.95 55.62 1x4x s SER 3 Cb -0.06 -2.04 0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1x4x s SER 3 CO 0.00 -0.30 0.68 0.61 1.20 0.00 0.00 173.24 175.44 1x4x n GLY 4 N 5.02 -0.94 3.93 9.45 0.00 -1.26 -4.94 105.19 116.45 1x4x n GLY 4 Ca -0.13 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 1x4x n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4x s SER 5 N -3.42 3.69 -0.20 1.61 1.04 -1.26 -4.98 113.70 110.17 1x4x s SER 5 Ca 0.41 0.34 -0.29 0.00 0.48 0.00 0.00 55.95 56.89 1x4x s SER 5 Cb -0.21 -0.57 -0.02 0.00 0.10 0.00 0.00 66.02 65.31 1x4x s SER 5 CO 0.95 -2.37 1.53 -0.94 0.98 0.00 0.00 173.24 173.39 1x4x s SER 6 N -4.77 6.52 0.00 7.02 1.04 -1.26 -4.85 113.70 117.40 1x4x s SER 6 Ca 0.69 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.77 1x4x s SER 6 Cb -0.06 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1x4x s SER 6 CO 0.51 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1x4x n GLY 7 N 4.42 4.33 1.81 7.32 0.00 -1.26 -4.93 105.19 116.89 1x4x n GLY 7 Ca 0.17 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 1x4x n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4x n PRO 8 N -1.80 -2.13 -3.89 1.61 -0.04 -1.26 -4.85 135.00 122.64 1x4x n PRO 8 Ca 0.00 -0.90 -0.21 0.00 -0.04 0.00 0.00 63.50 62.35 1x4x n PRO 8 Cb 0.00 -0.85 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 1x4x n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x4x s ASP 9 N -3.03 6.26 0.15 3.54 1.01 -1.26 -4.78 116.67 118.55 1x4x s ASP 9 Ca 0.37 0.03 -0.33 0.00 0.71 0.00 0.00 52.55 53.32 1x4x s ASP 9 Cb -0.04 -1.76 -0.17 0.00 1.01 0.00 0.00 42.92 41.97 1x4x s ASP 9 CO 0.28 -0.13 1.07 1.67 0.21 0.00 0.00 175.17 178.27 1x4x n GLN 10 N -1.45 0.82 -2.76 8.23 -0.06 -1.26 -4.81 117.38 116.10 1x4x n GLN 10 Ca -0.08 0.29 -0.30 0.00 -2.00 0.00 0.00 57.00 54.92 1x4x n GLN 10 Cb 0.57 -1.73 -0.03 0.00 -4.06 0.00 0.00 30.24 25.00 1x4x n GLN 10 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1x4x s LYS 12 N -3.99 3.87 0.16 0.00 -2.85 -1.26 -4.07 119.74 111.59 1x4x s LYS 12 Ca 0.52 0.55 -0.31 0.00 -1.00 0.00 0.00 55.97 55.73 1x4x s LYS 12 Cb -0.10 -2.41 -0.08 0.00 -2.06 0.00 0.00 37.83 33.18 1x4x s LYS 12 CO 0.33 0.05 1.33 -1.25 0.10 0.00 0.00 175.35 175.91 1x4x s PRO 13 N -3.48 4.37 0.75 1.78 0.04 -1.26 -4.80 135.00 132.40 1x4x s PRO 13 Ca 0.52 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.49 1x4x s PRO 13 Cb -0.10 -3.23 0.05 0.00 0.04 0.00 0.00 34.50 31.26 1x4x s PRO 13 CO 0.25 -0.32 1.09 -1.25 0.04 0.00 0.00 177.00 176.82 1x4x s PRO 14 N 0.43 2.36 -0.29 0.56 0.04 -1.26 -4.97 135.00 131.86 1x4x s PRO 14 Ca 0.60 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 1x4x s PRO 14 Cb -0.36 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1x4x s PRO 14 CO 0.34 -1.57 0.20 -1.14 0.04 0.00 0.00 177.00 174.88 1x4x s GLN 15 N -4.75 3.84 -0.11 4.56 2.00 -0.24 -4.85 119.66 120.11 1x4x s GLN 15 Ca 0.62 -0.39 -0.18 0.00 -2.00 0.00 0.00 55.36 53.40 1x4x s GLN 15 Cb -0.18 -3.69 -0.04 0.00 0.80 0.00 0.00 33.01 29.90 1x4x s GLN 15 CO 0.53 -0.24 0.49 0.14 -0.50 0.00 0.00 175.29 175.71 1x4x s VAL 16 N 1.75 5.17 -0.38 1.34 -7.23 -1.26 -2.74 120.40 117.05 1x4x s VAL 16 Ca 0.07 0.99 0.04 0.00 -1.81 0.00 0.00 61.98 61.26 1x4x s VAL 16 Cb -0.16 -3.83 0.11 0.00 0.56 0.00 0.00 36.38 33.05 1x4x s VAL 16 CO 0.11 0.33 0.10 -0.89 -0.31 0.00 0.00 175.10 174.44 1x4x s THR 17 N 0.55 2.34 -0.63 5.32 2.01 -0.56 -4.96 115.64 119.70 1x4x s THR 17 Ca 0.27 -2.56 -0.26 0.00 0.31 0.00 0.00 61.69 59.45 1x4x s THR 17 Cb -0.15 -2.71 -0.11 0.00 0.01 0.00 0.00 72.50 69.54 1x4x s THR 17 CO 0.11 -0.65 2.42 0.00 -0.69 0.00 0.00 174.62 175.82 1x4x h ARG 19 N 16.53 0.34 -2.93 0.00 2.47 -1.90 -3.47 114.38 125.41 1x4x h ARG 19 Ca -0.13 -0.18 0.03 0.00 -1.26 0.00 0.00 59.98 58.43 1x4x h ARG 19 Cb 1.16 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 1x4x h ARG 19 CO 1.11 0.73 0.30 0.45 0.56 0.00 0.00 179.97 183.12 1x4x s SER 20 N -6.88 -0.07 0.44 7.04 0.15 -1.17 -4.93 113.70 108.28 1x4x s SER 20 Ca -0.05 -0.94 0.13 0.00 0.70 0.00 0.00 55.95 55.79 1x4x s SER 20 Cb 0.13 0.78 1.02 0.00 -1.71 0.00 0.00 66.02 66.23 1x4x s SER 20 CO 0.79 -1.51 2.00 0.00 1.20 0.00 0.00 173.24 175.72 1x4x h ALA 21 N 2.00 1.98 -0.03 5.45 0.00 -1.91 -1.97 119.26 124.78 1x4x h ALA 21 Ca -0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1x4x h ALA 21 Cb 1.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1x4x h ALA 21 CO 0.35 -0.10 -0.23 0.25 0.00 0.00 0.00 179.25 179.53 1x4x n THR 22 N -4.47 2.08 -4.25 0.00 -2.24 -1.26 -3.41 114.28 100.72 1x4x n THR 22 Ca 0.08 -2.72 -0.18 0.00 -2.27 0.00 0.00 64.05 58.97 1x4x n THR 22 Cb 0.32 -0.24 -0.13 0.00 -2.10 0.00 0.00 70.33 68.18 1x4x n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4x s ALA 24 N -0.80 -1.60 0.11 0.00 0.00 0.10 -3.02 121.76 116.56 1x4x s ALA 24 Ca -0.01 2.02 0.09 0.00 0.00 0.00 0.00 51.96 54.06 1x4x s ALA 24 Cb -0.07 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1x4x s ALA 24 CO 0.01 -0.33 -0.19 -1.14 0.00 0.00 0.00 175.76 174.11 1x4x s GLN 25 N 1.16 1.77 0.14 0.00 0.74 -1.12 0.20 119.66 122.55 1x4x s GLN 25 Ca -0.07 -1.18 0.09 0.00 0.05 0.00 0.00 55.36 54.26 1x4x s GLN 25 Cb -0.05 -2.10 -0.04 0.00 1.10 0.00 0.00 33.01 31.92 1x4x s GLN 25 CO -0.12 0.48 -0.22 0.08 -0.55 0.00 0.00 175.29 174.97 1x4x s VAL 26 N -1.12 1.98 -0.13 1.34 1.01 -0.89 -1.49 120.40 121.10 1x4x s VAL 26 Ca 0.17 -1.79 -0.05 0.00 0.00 0.00 0.00 61.98 60.31 1x4x s VAL 26 Cb -0.11 -1.84 0.06 0.00 0.00 0.00 0.00 36.38 34.49 1x4x s VAL 26 CO 0.09 -0.12 0.27 0.20 0.00 0.00 0.00 175.10 175.55 1x4x s ASN 27 N -2.31 -0.00 0.35 3.32 0.01 -1.11 -3.37 114.94 111.83 1x4x s ASN 27 Ca 0.13 0.61 0.04 0.00 -0.71 0.00 0.00 52.86 52.93 1x4x s ASN 27 Cb -0.08 0.61 -0.02 0.00 0.41 0.00 0.00 41.25 42.17 1x4x s ASN 27 CO 0.06 -0.20 0.15 -2.67 -1.51 0.00 0.00 177.10 172.93 1x4x n TRP 28 N 4.80 -0.01 -3.97 2.20 2.14 -1.16 -1.08 117.44 120.36 1x4x n TRP 28 Ca -0.16 -2.34 -0.09 0.00 2.07 0.00 0.00 57.50 56.98 1x4x n TRP 28 Cb 0.51 0.04 -0.04 0.00 -0.81 0.00 0.00 31.31 31.01 1x4x n TRP 28 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1x4x s GLU 29 N -3.34 1.69 -0.06 -2.67 2.02 -1.26 -4.83 118.70 110.25 1x4x s GLU 29 Ca 0.21 -1.28 -0.22 0.00 0.02 0.00 0.00 54.97 53.71 1x4x s GLU 29 Cb 0.01 0.51 -0.04 0.00 0.10 0.00 0.00 34.13 34.70 1x4x s GLU 29 CO 0.15 -0.73 0.63 0.08 0.02 0.00 0.00 175.26 175.41 1x4x s VAL 30 N -3.74 5.04 0.50 2.63 1.01 -1.26 -4.75 120.40 119.83 1x4x s VAL 30 Ca 0.21 1.29 -0.08 0.00 0.00 0.00 0.00 61.98 63.40 1x4x s VAL 30 Cb -0.02 -3.97 0.12 0.00 0.00 0.00 0.00 36.38 32.52 1x4x s VAL 30 CO 0.10 0.31 0.44 -0.81 0.00 0.00 0.00 175.10 175.15 1x4x n PRO 31 N 3.48 -1.88 -2.92 2.72 -0.04 -1.26 -4.95 135.00 130.15 1x4x n PRO 31 Ca -0.04 -0.71 -0.44 0.00 -0.04 0.00 0.00 63.50 62.28 1x4x n PRO 31 Cb 0.51 -0.66 -0.03 0.00 -0.04 0.00 0.00 33.50 33.28 1x4x n PRO 31 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1x4x s LEU 32 N 0.00 4.78 -0.29 1.53 2.96 -1.26 -5.00 118.68 121.41 1x4x s LEU 32 Ca 0.29 -1.43 -0.04 0.00 -0.22 0.00 0.00 54.13 52.72 1x4x s LEU 32 Cb -0.03 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.29 1x4x s LEU 32 CO 0.22 -1.26 0.03 -0.44 -1.32 0.00 0.00 176.35 173.58 1x4x s SER 33 N 3.65 4.85 -0.76 3.68 0.01 -1.26 -4.44 113.70 119.44 1x4x s SER 33 Ca 0.24 -0.88 -0.01 0.00 1.31 0.00 0.00 55.95 56.62 1x4x s SER 33 Cb -0.14 -1.79 0.38 0.00 0.21 0.00 0.00 66.02 64.68 1x4x s SER 33 CO 0.03 -0.19 1.89 -0.46 0.41 0.00 0.00 173.24 174.91 1x4x n ASN 34 N 4.77 7.13 0.02 2.44 0.23 -1.26 -4.57 115.26 124.01 1x4x n ASN 34 Ca -0.15 -3.81 0.00 0.00 -0.53 0.00 0.00 54.58 50.09 1x4x n ASN 34 Cb 0.47 -0.96 0.00 0.00 -2.08 0.00 0.00 39.78 37.21 1x4x n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x4x n GLY 35 N -0.59 -0.60 3.78 4.83 0.00 -1.26 -5.14 105.19 106.21 1x4x n GLY 35 Ca 0.53 0.19 -0.34 0.00 0.00 0.00 0.00 46.02 46.40 1x4x n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x4x s THR 36 N -2.00 4.83 -0.36 2.61 -4.23 -1.26 -5.09 115.64 110.13 1x4x s THR 36 Ca 0.00 -0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.24 1x4x s THR 36 Cb 0.00 -3.14 0.07 0.00 1.34 0.00 0.00 72.50 70.77 1x4x s THR 36 CO 0.00 0.47 0.13 -1.81 -0.54 0.00 0.00 174.62 172.88 1x4x s ASP 37 N -1.37 5.25 0.14 3.99 1.01 -1.26 -4.75 116.67 119.67 1x4x s ASP 37 Ca 0.19 -1.49 -0.35 0.00 0.71 0.00 0.00 52.55 51.61 1x4x s ASP 37 Cb -0.12 -1.84 -0.15 0.00 1.01 0.00 0.00 42.92 41.82 1x4x s ASP 37 CO 0.09 -0.41 1.39 0.52 0.21 0.00 0.00 175.17 176.97 1x4x n VAL 38 N 4.72 0.25 -0.04 -1.27 0.31 -1.26 -4.61 118.33 116.43 1x4x n VAL 38 Ca -0.09 -0.06 -0.04 0.00 -0.01 0.00 0.00 64.34 64.13 1x4x n VAL 38 Cb 0.43 -1.11 -0.07 0.00 -0.91 0.00 0.00 33.84 32.18 1x4x n VAL 38 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1x4x n THR 39 N 2.55 0.59 -4.24 2.52 -2.24 0.08 -4.99 114.28 108.56 1x4x n THR 39 Ca 0.17 -0.38 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 1x4x n THR 39 Cb 0.24 -0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 67.65 1x4x n THR 39 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x4x s GLU 40 N -2.23 1.04 -0.10 -0.78 8.01 -1.21 -4.36 118.70 119.07 1x4x s GLU 40 Ca -0.04 -1.45 -0.03 0.00 0.01 0.00 0.00 54.97 53.46 1x4x s GLU 40 Cb 0.03 -0.49 0.04 0.00 -4.31 0.00 0.00 34.13 29.40 1x4x s GLU 40 CO 0.37 0.02 0.04 0.71 0.01 0.00 0.00 175.26 176.41 1x4x s TYR 41 N -3.44 0.41 -0.47 1.61 1.51 -0.92 -0.28 117.35 115.77 1x4x s TYR 41 Ca 0.17 -0.14 -0.19 0.00 -1.01 0.00 0.00 57.07 55.90 1x4x s TYR 41 Cb 0.04 -0.70 0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1x4x s TYR 41 CO 0.00 -0.36 0.59 1.03 -1.11 0.00 0.00 175.55 175.71 1x4x s ARG 42 N 2.06 3.15 -0.33 -0.62 0.52 -1.03 -3.26 118.95 119.45 1x4x s ARG 42 Ca 0.04 -0.75 -0.15 0.00 -0.52 0.00 0.00 55.73 54.35 1x4x s ARG 42 Cb -0.14 -4.04 -0.02 0.00 0.52 0.00 0.00 34.95 31.28 1x4x s ARG 42 CO -0.06 -1.10 0.34 -1.17 0.02 0.00 0.00 175.30 173.33 1x4x s LEU 43 N 2.57 4.41 -0.17 2.53 2.96 -1.01 -2.15 118.68 127.81 1x4x s LEU 43 Ca 0.16 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1x4x s LEU 43 Cb -0.18 -2.30 -0.05 0.00 0.50 0.00 0.00 46.19 44.17 1x4x s LEU 43 CO 0.14 -0.30 0.12 -1.61 -1.32 0.00 0.00 176.35 173.38 1x4x s GLU 44 N 1.96 3.92 -0.07 1.98 2.02 0.41 -2.62 118.70 126.29 1x4x s GLU 44 Ca 0.11 -0.22 -0.03 0.00 0.02 0.00 0.00 54.97 54.84 1x4x s GLU 44 Cb -0.17 -3.30 0.04 0.00 0.10 0.00 0.00 34.13 30.80 1x4x s GLU 44 CO 0.11 0.43 0.16 -0.46 0.02 0.00 0.00 175.26 175.52 1x4x s TRP 45 N -0.04 -0.18 0.35 1.61 -0.11 -0.23 -1.07 118.94 119.27 1x4x s TRP 45 Ca 0.09 0.54 0.04 0.00 1.22 0.00 0.00 56.10 57.99 1x4x s TRP 45 Cb -0.11 -0.12 -0.01 0.00 -1.50 0.00 0.00 33.47 31.72 1x4x s TRP 45 CO 0.00 -0.20 0.38 0.20 -4.62 0.00 0.00 176.95 172.71 1x4x s GLY 46 N 1.46 2.06 -0.03 5.86 0.00 -1.15 -3.90 107.32 111.61 1x4x s GLY 46 Ca -0.06 -1.88 -0.09 0.00 0.00 0.00 0.00 44.72 42.69 1x4x s GLY 46 CO -0.06 -1.28 0.46 -1.33 0.00 0.00 0.00 173.10 170.89 1x4x h GLY 47 N 2.09 -0.32 -3.20 0.20 0.00 -1.87 -3.18 103.07 96.78 1x4x h GLY 47 Ca -0.26 0.12 -0.59 0.00 0.00 0.00 0.00 47.33 46.60 1x4x h GLY 47 CO 0.37 -0.12 -0.67 0.54 0.00 0.00 0.00 176.54 176.66 1x4x s VAL 48 N -2.59 3.51 0.55 4.60 0.11 -1.23 -3.80 120.40 121.55 1x4x s VAL 48 Ca -0.05 -1.64 0.24 0.00 -2.93 0.00 0.00 61.98 57.61 1x4x s VAL 48 Cb 0.00 -2.80 0.36 0.00 -1.53 0.00 0.00 36.38 32.41 1x4x s VAL 48 CO 0.14 -0.20 2.07 1.05 -3.33 0.00 0.00 175.10 174.82 1x4x h GLU 49 N 2.47 0.00 0.00 1.54 9.09 -1.93 0.21 114.58 125.96 1x4x h GLU 49 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1x4x h GLU 49 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1x4x h GLU 49 CO 0.58 0.00 0.00 0.41 0.05 0.00 0.00 179.01 180.05 1x4x n GLY 50 N -1.53 -1.55 2.62 1.06 0.00 -1.26 -4.55 105.19 99.97 1x4x n GLY 50 Ca 0.04 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1x4x n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4x s SER 51 N -4.34 2.96 -0.00 1.61 0.01 0.73 -5.13 113.70 109.55 1x4x s SER 51 Ca 0.09 -0.95 -0.04 0.00 1.31 0.00 0.00 55.95 56.36 1x4x s SER 51 Cb 0.12 -0.38 -0.00 0.00 0.21 0.00 0.00 66.02 65.96 1x4x s SER 51 CO 0.52 -0.38 0.08 -0.04 0.41 0.00 0.00 173.24 173.83 1x4x s MET 52 N 2.04 0.34 0.18 12.44 -1.94 -1.26 -3.30 119.30 127.79 1x4x s MET 52 Ca 0.04 -0.33 -0.12 0.00 -1.71 0.00 0.00 55.69 53.58 1x4x s MET 52 Cb -0.16 0.14 0.00 0.00 2.01 0.00 0.00 34.83 36.82 1x4x s MET 52 CO -0.19 -0.07 0.37 -0.65 -0.01 0.00 0.00 175.02 174.47 1x4x s GLN 53 N -1.04 1.24 0.29 2.03 -0.21 -1.25 -4.95 119.66 115.76 1x4x s GLN 53 Ca -0.11 -1.07 -0.29 0.00 0.02 0.00 0.00 55.36 53.90 1x4x s GLN 53 Cb -0.07 0.43 -0.10 0.00 1.00 0.00 0.00 33.01 34.28 1x4x s GLN 53 CO 0.00 -0.48 1.15 0.42 -2.12 0.00 0.00 175.29 174.26 1x4x s ILE 54 N -3.94 3.32 0.00 1.08 1.01 -1.26 -1.07 121.20 120.35 1x4x s ILE 54 Ca 0.15 1.33 0.00 0.00 0.00 0.00 0.00 60.65 62.12 1x4x s ILE 54 Cb 0.02 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1x4x s ILE 54 CO -0.01 0.31 0.00 0.00 0.00 0.00 0.00 174.94 175.25 1x4x s TYR 56 N -1.60 1.04 -0.13 0.00 5.04 -1.21 -5.08 117.35 115.41 1x4x s TYR 56 Ca 0.00 -0.29 -0.03 0.00 -2.44 0.00 0.00 57.07 54.31 1x4x s TYR 56 Cb 0.00 -0.77 0.05 0.00 0.35 0.00 0.00 41.96 41.59 1x4x s TYR 56 CO 0.00 -0.15 0.04 0.00 -1.34 0.00 0.00 175.55 174.10 1x4x n GLY 58 N 5.17 0.49 0.21 0.00 0.00 -1.20 -4.98 105.19 104.88 1x4x n GLY 58 Ca -0.07 -1.02 0.15 0.00 0.00 0.00 0.00 46.02 45.08 1x4x n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4x h PRO 59 N 0.00 0.00 -6.16 1.61 0.13 -1.87 -2.44 132.00 123.27 1x4x h PRO 59 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1x4x h PRO 59 Cb 0.00 0.00 0.24 0.00 0.13 0.00 0.00 31.00 31.37 1x4x h PRO 59 CO 0.00 0.00 -1.89 0.41 -0.23 0.00 0.00 178.00 176.29 1x4x n GLY 60 N -0.01 -3.64 0.00 1.56 0.00 -1.26 -4.82 105.19 97.02 1x4x n GLY 60 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1x4x n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4x n LEU 61 N 2.41 0.00 -4.09 0.99 4.77 -1.26 -4.82 117.00 115.01 1x4x n LEU 61 Ca -0.01 -0.13 -0.21 0.00 -0.03 0.00 0.00 56.01 55.64 1x4x n LEU 61 Cb 0.62 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.56 1x4x n LEU 61 CO 0.50 0.00 -0.46 -0.94 -1.33 0.00 0.00 177.39 175.15 1x4x s SER 62 N -1.73 1.49 -0.08 -1.43 1.04 -1.26 -2.96 113.70 108.77 1x4x s SER 62 Ca 0.00 -0.25 -0.04 0.00 0.48 0.00 0.00 55.95 56.14 1x4x s SER 62 Cb 0.00 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.00 1x4x s SER 62 CO 0.00 0.14 0.19 -0.47 0.98 0.00 0.00 173.24 174.08 1x4x s TYR 63 N -0.35 -0.23 -0.00 5.02 5.04 -1.22 -5.07 117.35 120.54 1x4x s TYR 63 Ca 0.04 0.60 -0.09 0.00 -2.44 0.00 0.00 57.07 55.18 1x4x s TYR 63 Cb -0.05 -0.03 -0.05 0.00 0.35 0.00 0.00 41.96 42.18 1x4x s TYR 63 CO -0.00 -0.19 0.30 -2.00 -1.34 0.00 0.00 175.55 172.32 1x4x s GLU 64 N 1.15 3.66 0.01 4.97 -6.30 -1.26 -2.09 118.70 118.85 1x4x s GLU 64 Ca -0.09 0.07 0.06 0.00 -2.50 0.00 0.00 54.97 52.52 1x4x s GLU 64 Cb -0.11 -3.11 -0.02 0.00 0.00 0.00 0.00 34.13 30.89 1x4x s GLU 64 CO -0.07 0.66 -0.19 0.42 0.02 0.00 0.00 175.26 176.11 1x4x s ILE 65 N -1.22 1.52 0.27 -3.70 1.01 0.13 -4.99 121.20 114.22 1x4x s ILE 65 Ca 0.26 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1x4x s ILE 65 Cb -0.14 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1x4x s ILE 65 CO 0.14 0.30 0.24 0.29 0.00 0.00 0.00 174.94 175.91 1x4x n LYS 66 N 2.27 0.35 -2.35 2.79 5.02 -1.26 -0.72 118.16 124.25 1x4x n LYS 66 Ca -0.16 -2.64 -0.10 0.00 -2.02 0.00 0.00 58.31 53.40 1x4x n LYS 66 Cb 0.54 2.19 0.00 0.00 -0.02 0.00 0.00 35.03 37.74 1x4x n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x4x n GLY 67 N -0.50 0.04 3.98 0.72 0.00 -0.77 -4.97 105.19 103.70 1x4x n GLY 67 Ca 0.06 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 1x4x n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4x s LEU 68 N -2.95 3.33 -0.02 0.99 1.43 -1.04 -5.06 118.68 115.36 1x4x s LEU 68 Ca 0.06 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1x4x s LEU 68 Cb -0.02 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1x4x s LEU 68 CO 0.07 -1.12 -0.07 -0.44 0.23 0.00 0.00 176.35 175.03 1x4x s SER 69 N -4.44 4.65 0.59 2.29 0.01 -1.26 -4.31 113.70 111.23 1x4x s SER 69 Ca 0.58 -0.10 -0.18 0.00 1.31 0.00 0.00 55.95 57.56 1x4x s SER 69 Cb -0.10 -1.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.98 1x4x s SER 69 CO 0.38 0.31 1.12 -2.16 0.41 0.00 0.00 173.24 173.30 1x4x s PRO 70 N -1.22 3.13 -1.25 12.44 0.04 -1.22 -3.83 135.00 143.10 1x4x s PRO 70 Ca 0.16 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 62.65 1x4x s PRO 70 Cb -0.11 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1x4x s PRO 70 CO 0.06 -1.01 0.70 0.00 0.04 0.00 0.00 177.00 176.79 1x4x n ALA 71 N -1.75 -2.23 -3.72 8.56 0.00 -0.12 -4.85 120.51 116.40 1x4x n ALA 71 Ca 0.11 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 1x4x n ALA 71 Cb 0.51 -2.92 -0.14 0.00 0.00 0.00 0.00 19.45 16.90 1x4x n ALA 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x4x s THR 72 N -3.63 -0.05 0.31 0.00 2.01 -1.25 -4.93 115.64 108.10 1x4x s THR 72 Ca 0.20 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 62.08 1x4x s THR 72 Cb -0.06 -0.24 -0.10 0.00 0.01 0.00 0.00 72.50 72.11 1x4x s THR 72 CO 0.83 0.07 1.16 -0.89 -0.69 0.00 0.00 174.62 175.11 1x4x s THR 73 N 1.14 3.25 0.20 -0.82 2.01 -1.26 -2.77 115.64 117.39 1x4x s THR 73 Ca -0.09 1.22 0.02 0.00 0.31 0.00 0.00 61.69 63.14 1x4x s THR 73 Cb -0.11 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1x4x s THR 73 CO -0.06 0.26 0.03 -0.31 -0.69 0.00 0.00 174.62 173.85 1x4x s TYR 74 N -1.21 1.29 0.03 4.92 2.02 -0.16 -4.51 117.35 119.72 1x4x s TYR 74 Ca 0.48 -1.08 -0.06 0.00 -0.37 0.00 0.00 57.07 56.04 1x4x s TYR 74 Cb -0.33 -0.74 -0.01 0.00 -0.40 0.00 0.00 41.96 40.48 1x4x s TYR 74 CO 0.43 -0.26 0.11 0.71 -1.57 0.00 0.00 175.55 174.97 1x4x s TYR 75 N -3.70 0.14 -0.07 2.71 2.02 -1.20 -1.98 117.35 115.27 1x4x s TYR 75 Ca 0.28 -0.37 -0.13 0.00 -0.37 0.00 0.00 57.07 56.48 1x4x s TYR 75 Cb 0.07 -0.11 0.03 0.00 -0.40 0.00 0.00 41.96 41.55 1x4x s TYR 75 CO 0.07 -0.34 0.32 0.00 -1.57 0.00 0.00 175.55 174.03 1x4x s ARG 77 N -0.58 0.16 -0.05 0.00 1.70 -0.23 -2.50 118.95 117.45 1x4x s ARG 77 Ca -0.07 0.65 0.02 0.00 -0.47 0.00 0.00 55.73 55.86 1x4x s ARG 77 Cb -0.04 -0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.23 1x4x s ARG 77 CO 0.02 -0.24 -0.08 0.54 -1.08 0.00 0.00 175.30 174.46 1x4x s VAL 78 N 1.95 3.56 0.13 4.99 0.11 -1.26 -0.45 120.40 129.43 1x4x s VAL 78 Ca -0.03 -0.59 0.06 0.00 -2.93 0.00 0.00 61.98 58.50 1x4x s VAL 78 Cb -0.11 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 1x4x s VAL 78 CO -0.08 0.56 -0.15 0.00 -3.33 0.00 0.00 175.10 172.10 1x4x s GLN 79 N -0.91 1.08 -0.23 1.54 -2.07 -0.91 -2.15 119.66 116.00 1x4x s GLN 79 Ca 0.13 -1.28 -0.09 0.00 -1.82 0.00 0.00 55.36 52.31 1x4x s GLN 79 Cb -0.11 -1.00 -0.04 0.00 -1.09 0.00 0.00 33.01 30.77 1x4x s GLN 79 CO 0.02 0.19 0.11 0.00 -1.32 0.00 0.00 175.29 174.29 1x4x s ALA 80 N -2.12 3.38 -0.11 2.60 0.00 -1.25 -2.45 121.76 121.81 1x4x s ALA 80 Ca 0.10 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 50.95 1x4x s ALA 80 Cb -0.05 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 1x4x s ALA 80 CO 0.04 -0.24 0.38 -0.51 0.00 0.00 0.00 175.76 175.43 1x4x s LEU 81 N 1.15 4.32 0.51 0.00 1.02 0.61 0.11 118.68 126.40 1x4x s LEU 81 Ca 0.05 0.72 0.04 0.00 0.02 0.00 0.00 54.13 54.97 1x4x s LEU 81 Cb -0.14 -2.52 0.00 0.00 0.02 0.00 0.00 46.19 43.55 1x4x s LEU 81 CO 0.04 0.13 0.19 -0.94 0.02 0.00 0.00 176.35 175.80 1x4x s SER 82 N 0.09 4.37 0.00 2.29 1.04 -1.25 -0.74 113.70 119.50 1x4x s SER 82 Ca 0.21 -1.41 0.19 0.00 0.48 0.00 0.00 55.95 55.43 1x4x s SER 82 Cb -0.15 0.34 0.76 0.00 0.10 0.00 0.00 66.02 67.08 1x4x s SER 82 CO 0.08 -0.92 1.54 1.33 0.98 0.00 0.00 173.24 176.26 1x4x n VAL 83 N -1.47 0.19 0.00 5.02 0.24 -1.26 -3.61 118.33 117.45 1x4x n VAL 83 Ca -0.09 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1x4x n VAL 83 Cb 0.66 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 1x4x n VAL 83 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1x4x n VAL 84 N 0.14 0.00 0.00 3.34 3.14 -1.26 -5.09 118.33 118.60 1x4x n VAL 84 Ca 0.15 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 1x4x n VAL 84 Cb 0.28 0.78 0.00 0.00 -1.06 0.00 0.00 33.84 33.84 1x4x n VAL 84 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x4x n GLY 85 N 1.60 3.88 3.44 7.55 0.00 -1.24 -5.02 105.19 115.40 1x4x n GLY 85 Ca 0.00 -0.31 -0.49 0.00 0.00 0.00 0.00 46.02 45.22 1x4x n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4x n ALA 86 N -0.56 -2.64 -1.96 4.61 0.00 -1.26 -3.77 120.51 114.93 1x4x n ALA 86 Ca 0.00 0.46 -0.26 0.00 0.00 0.00 0.00 53.44 53.64 1x4x n ALA 86 Cb 0.00 -1.69 0.13 0.00 0.00 0.00 0.00 19.45 17.88 1x4x n ALA 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x4x s GLY 87 N -0.76 1.75 0.81 0.00 0.00 0.31 -4.85 107.32 104.58 1x4x s GLY 87 Ca 0.68 -1.34 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 1x4x s GLY 87 CO 0.56 -0.74 1.09 2.56 0.00 0.00 0.00 173.10 176.57 1x4x s PRO 88 N -5.43 1.92 0.21 2.90 0.04 -1.26 -4.47 135.00 128.90 1x4x s PRO 88 Ca 0.67 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1x4x s PRO 88 Cb -0.06 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1x4x s PRO 88 CO 0.47 -1.85 0.41 -0.06 0.04 0.00 0.00 177.00 176.02 1x4x s PHE 89 N -2.91 3.48 0.64 0.56 0.40 -1.26 -3.87 117.98 115.01 1x4x s PHE 89 Ca 0.62 0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 57.23 1x4x s PHE 89 Cb -0.17 -1.89 0.15 0.00 0.51 0.00 0.00 43.02 41.62 1x4x s PHE 89 CO 0.56 0.35 0.74 -1.13 0.70 0.00 0.00 175.22 176.45 1x4x n SER 90 N -0.68 -0.56 -4.61 1.36 3.41 -0.91 -4.50 113.62 107.12 1x4x n SER 90 Ca -0.04 -1.14 -0.43 0.00 -0.26 0.00 0.00 58.87 57.00 1x4x n SER 90 Cb 0.54 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 1x4x n SER 90 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x4x s GLU 91 N -4.64 3.88 0.03 4.33 8.01 -1.26 -4.85 118.70 124.21 1x4x s GLU 91 Ca 0.44 0.69 -0.32 0.00 0.01 0.00 0.00 54.97 55.79 1x4x s GLU 91 Cb -0.02 -3.80 -0.17 0.00 -4.31 0.00 0.00 34.13 25.83 1x4x s GLU 91 CO 0.32 -0.98 0.82 0.28 0.01 0.00 0.00 175.26 175.71 1x4x n VAL 92 N 6.04 0.32 -3.80 2.63 0.31 -1.26 -4.62 118.33 117.95 1x4x n VAL 92 Ca 0.09 -0.08 -0.37 0.00 -0.01 0.00 0.00 64.34 63.97 1x4x n VAL 92 Cb 0.48 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.28 1x4x n VAL 92 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1x4x s VAL 93 N -0.16 3.46 0.24 2.52 1.01 -1.04 -4.96 120.40 121.47 1x4x s VAL 93 Ca 0.73 -1.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.10 1x4x s VAL 93 Cb -1.03 -3.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 1x4x s VAL 93 CO 0.48 -0.24 0.84 0.00 0.00 0.00 0.00 175.10 176.18 1x4x s ALA 94 N 1.31 3.34 -0.24 5.51 0.00 -1.26 -3.24 121.76 127.18 1x4x s ALA 94 Ca -0.01 0.40 -0.14 0.00 0.00 0.00 0.00 51.96 52.20 1x4x s ALA 94 Cb -0.20 -3.03 0.07 0.00 0.00 0.00 0.00 23.12 19.96 1x4x s ALA 94 CO 0.00 0.25 0.60 0.00 0.00 0.00 0.00 175.76 176.62 1x4x s VAL 96 N 1.53 4.39 0.48 0.00 1.01 -1.26 -0.99 120.40 125.56 1x4x s VAL 96 Ca -0.10 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 1x4x s VAL 96 Cb -0.06 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 1x4x s VAL 96 CO -0.17 0.52 0.98 0.42 0.00 0.00 0.00 175.10 176.84 1x4x s THR 97 N -0.03 4.38 0.50 3.92 -4.23 -1.11 -4.90 115.64 114.16 1x4x s THR 97 Ca 0.04 1.32 -0.21 0.00 -1.18 0.00 0.00 61.69 61.66 1x4x s THR 97 Cb -0.13 -3.63 -0.07 0.00 1.34 0.00 0.00 72.50 70.02 1x4x s THR 97 CO 0.02 -0.48 1.15 -2.16 -0.54 0.00 0.00 174.62 172.60 1x4x s PRO 98 N -3.61 3.54 0.19 3.99 0.04 -1.26 -0.94 135.00 136.96 1x4x s PRO 98 Ca 0.61 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 1x4x s PRO 98 Cb -0.10 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 1x4x s PRO 98 CO 0.22 -0.71 1.31 -1.25 0.04 0.00 0.00 177.00 176.61 1x4x s PRO 99 N -3.01 4.39 -0.74 0.56 0.04 -1.26 -3.00 135.00 131.97 1x4x s PRO 99 Ca 0.69 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.58 1x4x s PRO 99 Cb -0.26 -3.20 0.12 0.00 0.04 0.00 0.00 34.50 31.20 1x4x s PRO 99 CO 0.30 -0.26 0.90 0.45 0.04 0.00 0.00 177.00 178.44 1x4x s SER 100 N 0.37 6.37 0.07 6.66 0.15 -1.26 -4.93 113.70 121.13 1x4x s SER 100 Ca 0.57 -1.64 -0.27 0.00 0.70 0.00 0.00 55.95 55.31 1x4x s SER 100 Cb -0.36 -2.35 0.09 0.00 -1.71 0.00 0.00 66.02 61.68 1x4x s SER 100 CO 0.38 -1.13 1.02 -0.94 1.20 0.00 0.00 173.24 173.77 1x4x s SER 101 N 3.50 -0.19 0.00 5.45 1.04 -1.26 -5.10 113.70 117.15 1x4x s SER 101 Ca 0.21 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1x4x s SER 101 Cb -0.15 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1x4x s SER 101 CO 0.01 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1x4x n GLY 102 N -0.41 0.65 0.19 7.32 0.00 -1.26 -5.01 105.19 106.68 1x4x n GLY 102 Ca -0.07 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.35 1x4x n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4x h PRO 103 N 0.00 0.00 -6.13 1.61 0.13 -2.05 -3.46 132.00 122.11 1x4x h PRO 103 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 1x4x h PRO 103 Cb 0.00 0.00 0.18 0.00 0.13 0.00 0.00 31.00 31.31 1x4x h PRO 103 CO 0.00 0.37 -0.95 -1.13 -0.23 0.00 0.00 178.00 176.05 1x4x n SER 104 N -3.74 -2.97 -4.69 1.44 3.41 -1.26 -4.89 113.62 100.92 1x4x n SER 104 Ca -0.01 0.68 -0.31 0.00 -0.26 0.00 0.00 58.87 58.97 1x4x n SER 104 Cb 0.45 -0.93 0.15 0.00 -0.26 0.00 0.00 64.21 63.62 1x4x n SER 104 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4x s SER 105 N -1.04 3.20 0.00 4.04 0.01 -1.26 -5.24 113.70 113.41 1x4x s SER 105 Ca 0.60 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.85 1x4x s SER 105 Cb -0.49 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.24 1x4x s SER 105 CO 0.63 -2.89 0.00 0.61 0.41 0.00 0.00 173.24 171.99