#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 6.44 -0.76 1.61 0.01 -1.26 -4.94 113.70 114.80 1x4x s SER 2 Ca 0.00 -1.30 -0.20 0.00 1.31 0.00 0.00 55.95 55.76 1x4x s SER 2 Cb 0.00 -2.57 0.11 0.00 0.21 0.00 0.00 66.02 63.77 1x4x s SER 2 CO 0.00 -1.57 0.97 -0.55 0.41 0.00 0.00 173.24 172.51 1x4x s SER 3 N 4.82 6.38 0.23 2.44 0.15 -1.26 -5.01 113.70 121.45 1x4x s SER 3 Ca 0.45 -1.55 -0.30 0.00 0.70 0.00 0.00 55.95 55.25 1x4x s SER 3 Cb -0.01 -2.38 -0.15 0.00 -1.71 0.00 0.00 66.02 61.76 1x4x s SER 3 CO -0.06 -1.20 0.96 0.61 1.20 0.00 0.00 173.24 174.74 1x4x n GLY 4 N 5.34 -0.47 3.68 9.45 0.00 -1.26 -4.88 105.19 117.05 1x4x n GLY 4 Ca 0.07 0.39 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.49 7.11 -0.52 1.61 1.04 -1.26 -5.00 113.70 116.20 1x4x s SER 5 Ca 0.64 1.62 0.04 0.00 0.48 0.00 0.00 55.95 58.73 1x4x s SER 5 Cb -0.80 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 62.90 1x4x s SER 5 CO 0.57 -0.58 0.26 -0.94 0.98 0.00 0.00 173.24 173.53 1x4x s SER 6 N 1.37 4.38 0.00 7.02 1.04 -1.26 -5.04 113.70 121.21 1x4x s SER 6 Ca 0.51 -2.98 0.00 0.00 0.48 0.00 0.00 55.95 53.96 1x4x s SER 6 Cb -0.20 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.27 1x4x s SER 6 CO 0.16 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1x4x n GLY 7 N 3.17 3.23 2.21 7.32 0.00 -1.26 -4.83 105.19 115.03 1x4x n GLY 7 Ca 0.05 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.34 -2.38 -2.97 1.61 -0.04 -1.26 -4.81 135.00 123.81 1x4x n PRO 8 Ca 0.00 -1.10 -0.25 0.00 -0.04 0.00 0.00 63.50 62.11 1x4x n PRO 8 Cb 0.00 -1.03 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1x4x n PRO 8 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x4x s ASP 9 N -3.36 6.15 0.57 3.54 2.15 -1.26 -4.93 116.67 119.52 1x4x s ASP 9 Ca 0.45 0.61 -0.18 0.00 0.43 0.00 0.00 52.55 53.86 1x4x s ASP 9 Cb -0.04 -1.99 -0.09 0.00 -0.30 0.00 0.00 42.92 40.50 1x4x s ASP 9 CO 0.34 -0.53 0.50 1.67 -0.17 0.00 0.00 175.17 176.98 1x4x n GLN 10 N -2.07 0.48 -3.48 4.34 7.27 -1.26 -4.84 117.38 117.82 1x4x n GLN 10 Ca -0.01 0.19 -0.36 0.00 0.07 0.00 0.00 57.00 56.89 1x4x n GLN 10 Cb 0.56 -1.68 -0.06 0.00 2.41 0.00 0.00 30.24 31.48 1x4x n GLN 10 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x4x s LYS 12 N -1.59 3.97 0.13 0.00 -0.14 -1.26 -3.67 119.74 117.18 1x4x s LYS 12 Ca 0.31 0.74 -0.31 0.00 -1.36 0.00 0.00 55.97 55.35 1x4x s LYS 12 Cb -0.15 -2.32 -0.08 0.00 -1.68 0.00 0.00 37.83 33.60 1x4x s LYS 12 CO 0.17 -0.01 1.35 -1.25 -0.76 0.00 0.00 175.35 174.85 1x4x s PRO 13 N -3.46 4.35 0.85 -1.68 0.04 -1.26 -4.74 135.00 129.09 1x4x s PRO 13 Ca 0.56 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.52 1x4x s PRO 13 Cb -0.10 -3.25 0.10 0.00 0.04 0.00 0.00 34.50 31.30 1x4x s PRO 13 CO 0.23 -0.37 1.09 -1.25 0.04 0.00 0.00 177.00 176.74 1x4x s PRO 14 N 0.82 1.63 -0.32 0.56 0.04 -1.26 -4.98 135.00 131.49 1x4x s PRO 14 Ca 0.62 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 1x4x s PRO 14 Cb -0.36 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1x4x s PRO 14 CO 0.32 -2.01 0.24 -1.14 0.04 0.00 0.00 177.00 174.45 1x4x s GLN 15 N -4.93 3.65 0.06 4.56 2.00 0.12 -4.84 119.66 120.29 1x4x s GLN 15 Ca 0.63 -0.50 -0.19 0.00 -2.00 0.00 0.00 55.36 53.29 1x4x s GLN 15 Cb -0.18 -3.76 -0.06 0.00 0.80 0.00 0.00 33.01 29.81 1x4x s GLN 15 CO 0.57 -0.37 0.56 0.14 -0.50 0.00 0.00 175.29 175.69 1x4x s VAL 16 N 1.78 4.78 -0.40 1.34 -7.23 -1.26 -2.45 120.40 116.95 1x4x s VAL 16 Ca 0.07 1.20 0.01 0.00 -1.81 0.00 0.00 61.98 61.45 1x4x s VAL 16 Cb -0.17 -3.89 0.13 0.00 0.56 0.00 0.00 36.38 33.01 1x4x s VAL 16 CO 0.11 0.54 0.22 -0.89 -0.31 0.00 0.00 175.10 174.76 1x4x s THR 17 N -0.98 1.07 -0.83 5.32 2.01 0.96 -4.95 115.64 118.23 1x4x s THR 17 Ca 0.29 -2.23 -0.21 0.00 0.31 0.00 0.00 61.69 59.84 1x4x s THR 17 Cb -0.19 -1.76 -0.18 0.00 0.01 0.00 0.00 72.50 70.38 1x4x s THR 17 CO 0.18 -0.89 2.00 0.00 -0.69 0.00 0.00 174.62 175.23 1x4x h ARG 19 N 11.43 0.34 -2.91 0.00 2.47 -1.49 -3.45 114.38 120.76 1x4x h ARG 19 Ca 0.00 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1x4x h ARG 19 Cb 1.01 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 1x4x h ARG 19 CO 1.04 0.22 0.34 0.45 0.56 0.00 0.00 179.97 182.59 1x4x s SER 20 N -5.17 0.03 0.26 7.04 0.15 -0.56 -4.92 113.70 110.54 1x4x s SER 20 Ca -0.12 -1.11 -0.04 0.00 0.70 0.00 0.00 55.95 55.39 1x4x s SER 20 Cb 0.25 0.79 0.54 0.00 -1.71 0.00 0.00 66.02 65.89 1x4x s SER 20 CO 0.77 -1.59 1.64 0.00 1.20 0.00 0.00 173.24 175.27 1x4x h ALA 21 N 2.00 0.97 -0.37 5.45 0.00 -1.87 -0.62 119.26 124.81 1x4x h ALA 21 Ca -0.33 0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 1x4x h ALA 21 Cb 1.24 0.37 -0.16 0.00 0.00 0.00 0.00 17.79 19.25 1x4x h ALA 21 CO 0.42 -0.43 -0.34 0.25 0.00 0.00 0.00 179.25 179.14 1x4x n THR 22 N -5.29 2.50 -3.86 0.00 -2.24 -1.26 -3.68 114.28 100.45 1x4x n THR 22 Ca 0.16 -3.28 -0.13 0.00 -2.27 0.00 0.00 64.05 58.54 1x4x n THR 22 Cb 0.55 -0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.25 -0.73 -0.01 0.00 0.00 0.79 -1.25 121.76 120.80 1x4x s ALA 24 Ca -0.02 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1x4x s ALA 24 Cb -0.03 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1x4x s ALA 24 CO -0.01 -0.27 -0.07 -1.14 0.00 0.00 0.00 175.76 174.27 1x4x s GLN 25 N -1.48 0.69 0.20 0.00 0.74 -0.90 0.10 119.66 119.01 1x4x s GLN 25 Ca -0.13 -0.24 0.10 0.00 0.05 0.00 0.00 55.36 55.14 1x4x s GLN 25 Cb -0.05 -0.67 -0.04 0.00 1.10 0.00 0.00 33.01 33.35 1x4x s GLN 25 CO 0.03 0.11 -0.13 0.08 -0.55 0.00 0.00 175.29 174.84 1x4x s VAL 26 N 0.06 2.97 -0.13 1.34 1.01 -0.85 -0.03 120.40 124.77 1x4x s VAL 26 Ca -0.00 -1.82 -0.08 0.00 0.00 0.00 0.00 61.98 60.07 1x4x s VAL 26 Cb -0.06 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1x4x s VAL 26 CO -0.00 -0.15 0.32 0.20 0.00 0.00 0.00 175.10 175.46 1x4x s ASN 27 N -2.91 -0.36 0.31 3.32 -0.87 -1.03 -3.12 114.94 110.29 1x4x s ASN 27 Ca 0.25 0.67 0.06 0.00 -1.57 0.00 0.00 52.86 52.27 1x4x s ASN 27 Cb -0.08 0.60 -0.02 0.00 -0.02 0.00 0.00 41.25 41.73 1x4x s ASN 27 CO 0.14 -0.15 0.21 -2.67 -2.57 0.00 0.00 177.10 172.06 1x4x n TRP 28 N 3.76 -0.42 -3.93 2.20 2.14 -1.24 -0.70 117.44 119.25 1x4x n TRP 28 Ca -0.20 -2.40 -0.09 0.00 2.07 0.00 0.00 57.50 56.88 1x4x n TRP 28 Cb 0.55 0.17 -0.03 0.00 -0.81 0.00 0.00 31.31 31.19 1x4x n TRP 28 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 1x4x s GLU 29 N -3.25 1.78 -0.16 -2.67 1.03 -1.26 -4.81 118.70 109.37 1x4x s GLU 29 Ca 0.29 -1.24 -0.21 0.00 0.03 0.00 0.00 54.97 53.84 1x4x s GLU 29 Cb 0.01 0.54 -0.03 0.00 -0.80 0.00 0.00 34.13 33.86 1x4x s GLU 29 CO 0.21 -0.79 0.60 0.08 -1.33 0.00 0.00 175.26 174.03 1x4x s VAL 30 N -3.61 5.07 1.24 1.83 1.01 -1.26 -4.80 120.40 119.88 1x4x s VAL 30 Ca 0.18 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 63.12 1x4x s VAL 30 Cb -0.03 -3.93 0.30 0.00 0.00 0.00 0.00 36.38 32.72 1x4x s VAL 30 CO 0.10 0.18 1.11 -2.16 0.00 0.00 0.00 175.10 174.34 1x4x s PRO 31 N 1.43 -1.50 -1.12 2.72 0.04 -1.26 -4.92 135.00 130.38 1x4x s PRO 31 Ca 0.29 -0.17 -0.18 0.00 0.04 0.00 0.00 61.00 60.99 1x4x s PRO 31 Cb -0.16 -1.57 0.12 0.00 0.04 0.00 0.00 34.50 32.93 1x4x s PRO 31 CO 0.12 -3.88 1.42 -1.17 0.04 0.00 0.00 177.00 173.53 1x4x s LEU 32 N -7.02 4.52 -0.43 -3.56 0.20 -1.26 -4.97 118.68 106.16 1x4x s LEU 32 Ca 0.72 -2.34 -0.20 0.00 0.69 0.00 0.00 54.13 53.00 1x4x s LEU 32 Cb -0.08 -2.47 0.02 0.00 -0.43 0.00 0.00 46.19 43.23 1x4x s LEU 32 CO 0.56 -1.06 0.59 -0.94 -0.29 0.00 0.00 176.35 175.21 1x4x s SER 33 N 3.73 6.30 -0.78 3.68 1.04 -1.26 -4.56 113.70 121.85 1x4x s SER 33 Ca 0.43 -0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.42 1x4x s SER 33 Cb -0.01 -2.30 0.08 0.00 0.10 0.00 0.00 66.02 63.89 1x4x s SER 33 CO -0.03 -0.72 2.63 -0.46 0.98 0.00 0.00 173.24 175.64 1x4x n ASN 34 N 6.10 7.05 0.00 7.02 2.04 -1.26 -4.48 115.26 131.73 1x4x n ASN 34 Ca -0.03 -3.18 0.00 0.00 -0.44 0.00 0.00 54.58 50.93 1x4x n ASN 34 Cb 0.48 -1.28 0.00 0.00 -2.53 0.00 0.00 39.78 36.45 1x4x n ASN 34 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1x4x n GLY 35 N 1.19 -2.20 3.81 4.83 0.00 -1.26 -5.11 105.19 106.45 1x4x n GLY 35 Ca 0.54 0.72 -0.28 0.00 0.00 0.00 0.00 46.02 47.00 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 -0.72 4.59 -0.12 2.61 -4.23 -1.26 -5.10 115.64 111.41 1x4x s THR 36 Ca 0.00 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.55 1x4x s THR 36 Cb 0.00 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 1x4x s THR 36 CO 0.00 -0.03 -0.05 1.51 -0.54 0.00 0.00 174.62 175.50 1x4x s ASP 37 N -2.89 4.71 0.15 3.99 -4.77 -1.26 -4.71 116.67 111.88 1x4x s ASP 37 Ca 0.31 -0.10 -0.34 0.00 -3.30 0.00 0.00 52.55 49.12 1x4x s ASP 37 Cb -0.11 -1.56 -0.15 0.00 -1.09 0.00 0.00 42.92 40.01 1x4x s ASP 37 CO 0.23 0.24 1.42 0.52 0.70 0.00 0.00 175.17 178.29 1x4x n VAL 38 N 3.05 0.24 -0.04 2.11 0.31 -1.26 -4.71 118.33 118.04 1x4x n VAL 38 Ca -0.18 -0.06 -0.04 0.00 -0.01 0.00 0.00 64.34 64.05 1x4x n VAL 38 Cb 0.53 -1.19 -0.07 0.00 -0.91 0.00 0.00 33.84 32.20 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 2.65 0.56 -4.20 2.52 -2.24 0.45 -4.98 114.28 109.05 1x4x n THR 39 Ca 0.16 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1x4x n THR 39 Cb 0.25 -0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 67.63 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 -2.21 1.21 -0.12 -0.78 8.01 -1.24 -4.51 118.70 119.06 1x4x s GLU 40 Ca -0.04 -1.63 -0.05 0.00 0.01 0.00 0.00 54.97 53.26 1x4x s GLU 40 Cb 0.03 0.27 0.06 0.00 -4.31 0.00 0.00 34.13 30.18 1x4x s GLU 40 CO 0.35 -0.40 0.24 0.71 0.01 0.00 0.00 175.26 176.17 1x4x s TYR 41 N -4.15 -0.37 -0.49 1.61 2.02 -1.20 -2.26 117.35 112.51 1x4x s TYR 41 Ca 0.39 0.89 -0.06 0.00 -0.37 0.00 0.00 57.07 57.92 1x4x s TYR 41 Cb 0.07 -0.05 0.13 0.00 -0.40 0.00 0.00 41.96 41.71 1x4x s TYR 41 CO 0.12 -0.32 0.33 1.03 -1.57 0.00 0.00 175.55 175.14 1x4x s ARG 42 N 2.16 2.35 -0.31 -0.62 0.52 -1.21 -3.18 118.95 118.66 1x4x s ARG 42 Ca -0.01 -1.97 -0.13 0.00 -0.52 0.00 0.00 55.73 53.10 1x4x s ARG 42 Cb -0.12 -3.78 -0.03 0.00 0.52 0.00 0.00 34.95 31.55 1x4x s ARG 42 CO -0.08 -1.15 0.28 -1.17 0.02 0.00 0.00 175.30 173.20 1x4x s LEU 43 N 0.95 4.29 -0.01 2.53 2.96 -1.19 -3.52 118.68 124.69 1x4x s LEU 43 Ca 0.09 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1x4x s LEU 43 Cb -0.23 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1x4x s LEU 43 CO -0.03 -0.20 0.11 -1.61 -1.32 0.00 0.00 176.35 173.30 1x4x s GLU 44 N 1.86 3.19 -0.11 1.98 2.02 -0.70 -2.28 118.70 124.66 1x4x s GLU 44 Ca 0.09 -0.43 -0.03 0.00 0.02 0.00 0.00 54.97 54.62 1x4x s GLU 44 Cb -0.17 -2.94 0.05 0.00 0.10 0.00 0.00 34.13 31.18 1x4x s GLU 44 CO 0.11 0.66 0.11 -0.46 0.02 0.00 0.00 175.26 175.70 1x4x s TRP 45 N -1.23 -0.01 -0.09 1.61 -0.11 -0.95 -2.25 118.94 115.92 1x4x s TRP 45 Ca 0.24 0.19 -0.05 0.00 1.22 0.00 0.00 56.10 57.70 1x4x s TRP 45 Cb -0.12 -0.46 0.04 0.00 -1.50 0.00 0.00 33.47 31.42 1x4x s TRP 45 CO 0.15 -0.35 0.20 0.20 -4.62 0.00 0.00 176.95 172.54 1x4x s GLY 46 N 2.21 -0.11 0.21 5.86 0.00 -1.16 -4.30 107.32 110.03 1x4x s GLY 46 Ca 0.04 0.81 -0.05 0.00 0.00 0.00 0.00 44.72 45.52 1x4x s GLY 46 CO -0.06 1.01 1.13 0.61 0.00 0.00 0.00 173.10 175.79 1x4x n GLY 47 N 3.96 -1.19 3.54 0.20 0.00 -1.26 -3.02 105.19 107.42 1x4x n GLY 47 Ca -0.23 0.77 -0.36 0.00 0.00 0.00 0.00 46.02 46.20 1x4x n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x4x s VAL 48 N -5.88 4.68 0.56 1.61 1.01 -1.26 -3.33 120.40 117.79 1x4x s VAL 48 Ca -0.11 -0.06 0.29 0.00 0.00 0.00 0.00 61.98 62.11 1x4x s VAL 48 Cb 0.20 -3.17 0.42 0.00 0.00 0.00 0.00 36.38 33.83 1x4x s VAL 48 CO 0.57 0.36 1.92 1.05 0.00 0.00 0.00 175.10 179.01 1x4x h GLU 49 N 7.71 0.00 0.00 2.72 4.11 -1.92 0.33 114.58 127.52 1x4x h GLU 49 Ca -0.37 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.03 1x4x h GLU 49 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1x4x h GLU 49 CO 0.62 0.00 -0.14 0.78 0.07 0.00 0.00 179.01 180.34 1x4x h GLY 50 N 0.00 0.00 -7.19 1.06 0.00 -1.93 -3.40 103.07 91.62 1x4x h GLY 50 Ca 0.29 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.13 1x4x h GLY 50 CO -0.00 0.00 -0.76 -0.56 0.00 0.00 0.00 176.54 175.22 1x4x s SER 51 N -6.10 2.63 0.02 0.19 0.01 0.11 -5.13 113.70 105.44 1x4x s SER 51 Ca -0.02 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.55 1x4x s SER 51 Cb 0.12 -0.47 -0.02 0.00 0.21 0.00 0.00 66.02 65.87 1x4x s SER 51 CO 0.59 -0.31 -0.04 -0.04 0.41 0.00 0.00 173.24 173.84 1x4x s MET 52 N 1.96 0.36 0.26 12.44 -1.94 -1.26 -4.22 119.30 126.90 1x4x s MET 52 Ca 0.00 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.41 1x4x s MET 52 Cb -0.16 -0.02 -0.06 0.00 2.01 0.00 0.00 34.83 36.60 1x4x s MET 52 CO -0.08 -0.02 0.01 -1.14 -0.01 0.00 0.00 175.02 173.78 1x4x s GLN 53 N -1.40 1.44 0.01 2.03 0.74 -1.26 -4.92 119.66 116.29 1x4x s GLN 53 Ca -0.13 -1.74 -0.30 0.00 0.05 0.00 0.00 55.36 53.23 1x4x s GLN 53 Cb -0.09 -0.73 -0.06 0.00 1.10 0.00 0.00 33.01 33.23 1x4x s GLN 53 CO -0.01 -0.11 1.46 0.42 -0.55 0.00 0.00 175.29 176.51 1x4x s ILE 54 N -3.35 3.57 -0.18 -2.34 -1.09 -1.26 -2.23 121.20 114.31 1x4x s ILE 54 Ca 0.31 0.96 0.03 0.00 -2.23 0.00 0.00 60.65 59.71 1x4x s ILE 54 Cb 0.06 -3.62 -0.13 0.00 -1.58 0.00 0.00 42.46 37.20 1x4x s ILE 54 CO 0.11 -0.01 -0.14 0.00 -1.23 0.00 0.00 174.94 173.67 1x4x s TYR 56 N -2.37 0.01 -0.01 0.00 6.14 -1.23 -5.09 117.35 114.80 1x4x s TYR 56 Ca -0.23 0.00 0.01 0.00 0.64 0.00 0.00 57.07 57.49 1x4x s TYR 56 Cb 0.06 -0.03 0.00 0.00 0.42 0.00 0.00 41.96 42.42 1x4x s TYR 56 CO 0.44 -0.11 -0.04 0.00 0.64 0.00 0.00 175.55 176.49 1x4x n GLY 58 N 3.19 2.95 0.02 0.00 0.00 -1.19 -4.91 105.19 105.25 1x4x n GLY 58 Ca -0.15 -1.50 0.08 0.00 0.00 0.00 0.00 46.02 44.45 1x4x n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4x n PRO 59 N -1.67 0.04 -1.12 1.61 -0.04 -1.26 -3.24 135.00 129.32 1x4x n PRO 59 Ca 0.00 0.29 -0.36 0.00 -0.04 0.00 0.00 63.50 63.39 1x4x n PRO 59 Cb 0.00 -1.57 0.08 0.00 -0.04 0.00 0.00 33.50 31.97 1x4x n PRO 59 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x4x n GLY 60 N -0.04 -2.07 0.66 0.55 0.00 -1.26 -4.93 105.19 98.09 1x4x n GLY 60 Ca 0.03 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.61 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 0.01 2.44 -3.64 0.99 4.77 -1.26 -4.95 117.00 115.36 1x4x n LEU 61 Ca 0.08 -3.58 -0.04 0.00 -0.03 0.00 0.00 56.01 52.44 1x4x n LEU 61 Cb 0.51 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1x4x n LEU 61 CO 0.51 1.23 0.66 -0.94 -1.33 0.00 0.00 177.39 177.51 1x4x s SER 62 N -3.04 -0.54 -0.09 -1.43 1.04 -1.26 -3.68 113.70 104.70 1x4x s SER 62 Ca 0.37 0.89 -0.04 0.00 0.48 0.00 0.00 55.95 57.64 1x4x s SER 62 Cb 0.36 1.17 0.05 0.00 0.10 0.00 0.00 66.02 67.70 1x4x s SER 62 CO -0.07 -0.14 0.20 -0.47 0.98 0.00 0.00 173.24 173.74 1x4x s TYR 63 N 1.19 -0.26 -0.22 5.02 5.04 -1.18 -5.07 117.35 121.87 1x4x s TYR 63 Ca -0.07 0.68 -0.16 0.00 -2.44 0.00 0.00 57.07 55.08 1x4x s TYR 63 Cb -0.04 -0.07 -0.04 0.00 0.35 0.00 0.00 41.96 42.17 1x4x s TYR 63 CO -0.14 -0.24 0.43 -2.00 -1.34 0.00 0.00 175.55 172.26 1x4x s GLU 64 N 1.61 4.13 -0.12 4.97 2.12 -1.26 -2.01 118.70 128.13 1x4x s GLU 64 Ca -0.05 0.22 -0.06 0.00 0.36 0.00 0.00 54.97 55.44 1x4x s GLU 64 Cb -0.11 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 1x4x s GLU 64 CO -0.07 -0.15 0.10 0.42 -0.54 0.00 0.00 175.26 175.02 1x4x s ILE 65 N 1.65 5.12 0.33 -3.70 1.01 0.28 -4.99 121.20 120.91 1x4x s ILE 65 Ca 0.19 0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.98 1x4x s ILE 65 Cb -0.15 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1x4x s ILE 65 CO 0.09 0.60 0.28 -0.54 0.00 0.00 0.00 174.94 175.37 1x4x s LYS 66 N -0.88 1.76 -0.74 2.79 1.02 -1.26 -0.15 119.74 122.29 1x4x s LYS 66 Ca 0.14 -2.03 -0.05 0.00 0.02 0.00 0.00 55.97 54.06 1x4x s LYS 66 Cb -0.12 0.32 0.01 0.00 -0.52 0.00 0.00 37.83 37.51 1x4x s LYS 66 CO 0.03 -0.65 0.60 0.41 -0.92 0.00 0.00 175.35 174.82 1x4x n GLY 67 N -0.63 0.14 3.97 -3.33 0.00 -0.84 -4.95 105.19 99.55 1x4x n GLY 67 Ca 0.07 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.31 3.74 -0.04 0.99 1.43 -1.01 -5.04 118.68 114.43 1x4x s LEU 68 Ca 0.30 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1x4x s LEU 68 Cb -0.13 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 1x4x s LEU 68 CO 0.37 -0.60 0.01 -0.55 0.23 0.00 0.00 176.35 175.81 1x4x s SER 69 N -4.23 5.25 0.73 2.29 0.15 -1.26 -4.17 113.70 112.45 1x4x s SER 69 Ca 0.49 0.09 -0.12 0.00 0.70 0.00 0.00 55.95 57.11 1x4x s SER 69 Cb -0.09 -1.44 0.04 0.00 -1.71 0.00 0.00 66.02 62.82 1x4x s SER 69 CO 0.31 0.33 1.10 -2.16 1.20 0.00 0.00 173.24 174.02 1x4x s PRO 70 N -1.24 2.46 -1.44 5.44 0.04 -1.24 -3.79 135.00 135.23 1x4x s PRO 70 Ca 0.17 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 1x4x s PRO 70 Cb -0.11 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1x4x s PRO 70 CO 0.07 -1.50 0.31 0.00 0.04 0.00 0.00 177.00 175.92 1x4x n ALA 71 N -3.12 -2.03 -3.22 8.56 0.00 0.02 -4.84 120.51 115.88 1x4x n ALA 71 Ca 0.10 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 1x4x n ALA 71 Cb 0.53 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.49 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 -4.07 0.17 0.24 0.00 2.01 -1.24 -4.96 115.64 107.78 1x4x s THR 72 Ca 0.01 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1x4x s THR 72 Cb -0.00 -0.20 -0.09 0.00 0.01 0.00 0.00 72.50 72.22 1x4x s THR 72 CO 0.92 0.09 1.12 -0.89 -0.69 0.00 0.00 174.62 175.17 1x4x s THR 73 N 0.42 3.59 0.11 -0.82 2.01 -1.26 -2.81 115.64 116.88 1x4x s THR 73 Ca -0.04 1.49 -0.00 0.00 0.31 0.00 0.00 61.69 63.45 1x4x s THR 73 Cb -0.07 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1x4x s THR 73 CO -0.01 0.31 -0.00 -0.31 -0.69 0.00 0.00 174.62 173.92 1x4x s TYR 74 N -0.72 0.83 0.08 4.92 2.02 -0.21 -4.38 117.35 119.88 1x4x s TYR 74 Ca 0.47 -1.09 -0.05 0.00 -0.37 0.00 0.00 57.07 56.03 1x4x s TYR 74 Cb -0.31 -0.50 -0.02 0.00 -0.40 0.00 0.00 41.96 40.73 1x4x s TYR 74 CO 0.39 -0.36 0.10 0.71 -1.57 0.00 0.00 175.55 174.82 1x4x s TYR 75 N -3.87 0.37 -0.22 2.71 1.51 -1.17 -0.86 117.35 115.83 1x4x s TYR 75 Ca 0.17 -0.84 -0.18 0.00 -1.01 0.00 0.00 57.07 55.21 1x4x s TYR 75 Cb 0.07 -0.22 0.06 0.00 -0.11 0.00 0.00 41.96 41.76 1x4x s TYR 75 CO -0.03 -0.50 0.56 0.00 -1.11 0.00 0.00 175.55 174.48 1x4x s ARG 77 N 0.61 0.05 0.02 0.00 1.70 -0.95 -2.38 118.95 117.99 1x4x s ARG 77 Ca -0.02 -0.06 0.06 0.00 -0.47 0.00 0.00 55.73 55.24 1x4x s ARG 77 Cb -0.05 0.02 -0.02 0.00 -0.57 0.00 0.00 34.95 34.33 1x4x s ARG 77 CO -0.04 -0.01 -0.19 0.54 -1.08 0.00 0.00 175.30 174.52 1x4x s VAL 78 N -0.17 1.55 0.04 4.99 0.11 -1.26 -1.72 120.40 123.94 1x4x s VAL 78 Ca -0.02 -1.02 0.04 0.00 -2.93 0.00 0.00 61.98 58.05 1x4x s VAL 78 Cb -0.01 -1.33 -0.02 0.00 -1.53 0.00 0.00 36.38 33.49 1x4x s VAL 78 CO -0.00 0.27 -0.13 0.00 -3.33 0.00 0.00 175.10 171.92 1x4x s GLN 79 N -0.88 0.81 -0.25 1.54 -2.07 -1.23 -1.99 119.66 115.59 1x4x s GLN 79 Ca 0.07 -0.77 -0.12 0.00 -1.82 0.00 0.00 55.36 52.72 1x4x s GLN 79 Cb -0.08 -0.78 -0.05 0.00 -1.09 0.00 0.00 33.01 31.01 1x4x s GLN 79 CO 0.01 0.18 0.23 0.00 -1.32 0.00 0.00 175.29 174.40 1x4x s ALA 80 N -0.99 3.57 0.19 2.60 0.00 -1.26 -3.30 121.76 122.57 1x4x s ALA 80 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1x4x s ALA 80 Cb -0.08 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1x4x s ALA 80 CO 0.01 -0.40 0.36 -0.51 0.00 0.00 0.00 175.76 175.23 1x4x s LEU 81 N 1.48 4.26 0.00 0.00 1.02 -0.96 -0.05 118.68 124.43 1x4x s LEU 81 Ca 0.10 0.32 0.05 0.00 0.02 0.00 0.00 54.13 54.63 1x4x s LEU 81 Cb -0.15 -3.08 -0.02 0.00 0.02 0.00 0.00 46.19 42.96 1x4x s LEU 81 CO 0.08 -0.02 0.19 -1.54 0.02 0.00 0.00 176.35 175.08 1x4x n SER 82 N -0.66 -0.29 -0.60 2.29 3.41 -1.11 -0.41 113.62 116.26 1x4x n SER 82 Ca -0.05 -2.58 0.11 0.00 -0.26 0.00 0.00 58.87 56.09 1x4x n SER 82 Cb 0.54 1.14 0.39 0.00 -0.26 0.00 0.00 64.21 66.02 1x4x n SER 82 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1x4x n VAL 83 N -0.48 0.18 -0.00 -3.33 0.24 -1.26 -3.86 118.33 109.81 1x4x n VAL 83 Ca 0.04 -0.36 0.01 0.00 -2.04 0.00 0.00 64.34 62.00 1x4x n VAL 83 Cb 0.44 0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.26 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 0.41 0.03 0.00 3.34 3.14 -1.26 -5.11 118.33 118.88 1x4x n VAL 84 Ca 0.17 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1x4x n VAL 84 Cb 0.37 0.26 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 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 2.35 0.66 3.63 7.55 0.00 -1.25 -5.02 105.19 113.11 1x4x n GLY 85 Ca -0.01 0.26 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 1x4x n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4x s ALA 86 N -1.00 -1.96 0.92 4.61 0.00 -1.26 -2.74 121.76 120.33 1x4x s ALA 86 Ca 0.00 2.34 -0.11 0.00 0.00 0.00 0.00 51.96 54.18 1x4x s ALA 86 Cb 0.00 -1.66 0.14 0.00 0.00 0.00 0.00 23.12 21.61 1x4x s ALA 86 CO 0.00 -0.76 1.09 0.20 0.00 0.00 0.00 175.76 176.29 1x4x s GLY 87 N 2.52 1.62 1.18 0.00 0.00 0.93 -5.00 107.32 108.57 1x4x s GLY 87 Ca -0.07 0.07 -0.18 0.00 0.00 0.00 0.00 44.72 44.53 1x4x s GLY 87 CO -0.19 0.56 1.11 2.56 0.00 0.00 0.00 173.10 177.14 1x4x s PRO 88 N -4.82 -1.03 -0.18 2.90 0.04 -1.26 -4.43 135.00 126.22 1x4x s PRO 88 Ca 0.64 0.00 -0.15 0.00 0.04 0.00 0.00 61.00 61.53 1x4x s PRO 88 Cb -0.20 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1x4x s PRO 88 CO 0.58 -3.60 0.36 -0.06 0.04 0.00 0.00 177.00 174.32 1x4x s PHE 89 N -3.00 3.41 0.91 0.56 0.08 -1.26 -4.25 117.98 114.43 1x4x s PHE 89 Ca 0.70 0.61 -0.12 0.00 0.12 0.00 0.00 56.93 58.24 1x4x s PHE 89 Cb -0.11 -2.45 0.19 0.00 -0.57 0.00 0.00 43.02 40.08 1x4x s PHE 89 CO 0.56 0.10 0.42 -1.13 -0.10 0.00 0.00 175.22 175.07 1x4x n SER 90 N 4.08 -2.96 -4.63 1.36 3.41 -0.84 -4.81 113.62 109.22 1x4x n SER 90 Ca -0.10 -0.43 -0.43 0.00 -0.26 0.00 0.00 58.87 57.66 1x4x n SER 90 Cb 0.51 -0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 63.76 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 -3.44 3.92 0.06 4.33 2.02 -1.26 -4.81 118.70 119.51 1x4x s GLU 91 Ca 0.33 1.47 -0.37 0.00 0.02 0.00 0.00 54.97 56.41 1x4x s GLU 91 Cb -0.06 -3.93 -0.18 0.00 0.10 0.00 0.00 34.13 30.07 1x4x s GLU 91 CO 0.27 -1.13 1.16 0.28 0.02 0.00 0.00 175.26 175.86 1x4x n VAL 92 N 6.16 0.20 -3.74 2.63 0.31 -1.26 -4.53 118.33 118.11 1x4x n VAL 92 Ca 0.16 -0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 64.07 1x4x n VAL 92 Cb 0.46 -0.41 -0.11 0.00 -0.91 0.00 0.00 33.84 32.87 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 0.11 3.54 0.46 2.52 1.01 -1.00 -4.96 120.40 122.08 1x4x s VAL 93 Ca 0.85 -1.76 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 1x4x s VAL 93 Cb -1.08 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 1x4x s VAL 93 CO 0.52 -0.55 0.97 0.00 0.00 0.00 0.00 175.10 176.04 1x4x s ALA 94 N 1.25 3.03 -0.29 5.51 0.00 -1.26 -2.89 121.76 127.11 1x4x s ALA 94 Ca 0.04 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.22 1x4x s ALA 94 Cb -0.23 -3.15 0.11 0.00 0.00 0.00 0.00 23.12 19.85 1x4x s ALA 94 CO -0.02 -0.02 0.69 0.00 0.00 0.00 0.00 175.76 176.41 1x4x s VAL 96 N 2.21 3.98 0.65 0.00 1.01 -1.26 -1.04 120.40 125.95 1x4x s VAL 96 Ca -0.08 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 1x4x s VAL 96 Cb -0.08 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1x4x s VAL 96 CO -0.19 0.02 1.23 0.42 0.00 0.00 0.00 175.10 176.57 1x4x s THR 97 N 1.49 2.38 0.58 3.92 -4.23 -1.12 -4.85 115.64 113.80 1x4x s THR 97 Ca 0.02 0.22 -0.18 0.00 -1.18 0.00 0.00 61.69 60.57 1x4x s THR 97 Cb -0.18 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 1x4x s THR 97 CO 0.03 -0.07 1.12 -2.16 -0.54 0.00 0.00 174.62 173.00 1x4x s PRO 98 N -3.53 3.17 0.25 3.99 0.04 -1.26 -0.80 135.00 136.85 1x4x s PRO 98 Ca 0.78 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 1x4x s PRO 98 Cb -0.32 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 1x4x s PRO 98 CO 0.39 -0.98 1.27 -1.25 0.04 0.00 0.00 177.00 176.46 1x4x s PRO 99 N -3.57 4.42 -0.19 0.56 0.04 -1.26 -2.66 135.00 132.34 1x4x s PRO 99 Ca 0.71 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.67 1x4x s PRO 99 Cb -0.23 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 1x4x s PRO 99 CO 0.32 -0.16 -0.29 0.45 0.04 0.00 0.00 177.00 177.36 1x4x n SER 100 N 1.91 1.69 -3.33 6.66 2.88 -1.26 -4.90 113.62 117.25 1x4x n SER 100 Ca 0.03 0.29 -0.45 0.00 -1.33 0.00 0.00 58.87 57.41 1x4x n SER 100 Cb 0.43 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 63.15 1x4x n SER 100 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4x n SER 101 N -4.14 0.32 0.00 -3.46 2.88 -1.26 -4.53 113.62 103.43 1x4x n SER 101 Ca -0.31 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1x4x n SER 101 Cb 0.66 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x4x n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4x n GLY 102 N 1.76 0.29 3.77 0.46 0.00 -1.26 -5.05 105.19 105.16 1x4x n GLY 102 Ca 0.17 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 1x4x n GLY 102 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4x s PRO 103 N 0.00 3.32 0.53 1.61 0.04 -1.26 -5.01 135.00 134.23 1x4x s PRO 103 Ca 0.00 1.60 -0.19 0.00 0.04 0.00 0.00 61.00 62.45 1x4x s PRO 103 Cb 0.00 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1x4x s PRO 103 CO 0.00 -0.87 1.07 -1.12 0.04 0.00 0.00 177.00 176.12 1x4x s SER 104 N -1.81 5.98 0.27 6.66 0.01 -1.26 -4.93 113.70 118.61 1x4x s SER 104 Ca 0.72 1.98 -0.00 0.00 1.31 0.00 0.00 55.95 59.96 1x4x s SER 104 Cb -0.24 -2.56 0.58 0.00 0.21 0.00 0.00 66.02 64.01 1x4x s SER 104 CO 0.28 -1.03 1.73 -1.28 0.41 0.00 0.00 173.24 173.34 1x4x h SER 105 N 1.14 0.37 0.00 2.44 0.87 -1.95 -3.55 113.55 112.85 1x4x h SER 105 Ca -0.49 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1x4x h SER 105 Cb 1.23 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1x4x h SER 105 CO 0.58 0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.59