#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4x n SER 2 N 0.00 7.20 -4.87 1.61 7.64 -1.26 -4.95 113.62 118.99 1x4x n SER 2 Ca 0.00 -3.51 -0.26 0.00 1.01 0.00 0.00 58.87 56.11 1x4x n SER 2 Cb 0.00 -1.03 -0.04 0.00 -1.01 0.00 0.00 64.21 62.12 1x4x n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4x s SER 3 N -0.93 5.91 0.00 6.43 0.15 -1.26 -4.76 113.70 119.25 1x4x s SER 3 Ca 0.52 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1x4x s SER 3 Cb 0.41 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 1x4x s SER 3 CO -0.07 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1x4x n GLY 4 N -0.46 0.91 3.78 9.45 0.00 -1.26 -5.09 105.19 112.52 1x4x n GLY 4 Ca -0.08 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1x4x n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4x s SER 5 N -2.69 5.50 -0.51 1.61 0.15 -1.26 -5.07 113.70 111.42 1x4x s SER 5 Ca 0.00 -0.06 -0.24 0.00 0.70 0.00 0.00 55.95 56.35 1x4x s SER 5 Cb 0.00 -1.45 0.04 0.00 -1.71 0.00 0.00 66.02 62.89 1x4x s SER 5 CO 0.00 0.14 0.91 -0.94 1.20 0.00 0.00 173.24 174.55 1x4x s SER 6 N -2.63 6.39 0.00 5.45 1.04 -1.26 -4.89 113.70 117.80 1x4x s SER 6 Ca 0.30 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1x4x s SER 6 Cb -0.11 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1x4x s SER 6 CO 0.22 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1x4x n GLY 7 N 5.05 2.63 3.58 7.32 0.00 -1.26 -4.21 105.19 118.30 1x4x n GLY 7 Ca 0.03 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 1x4x n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4x s PRO 8 N -1.96 -1.52 0.68 1.61 0.04 -1.26 -4.96 135.00 127.63 1x4x s PRO 8 Ca 0.00 -0.18 -0.11 0.00 0.04 0.00 0.00 61.00 60.75 1x4x s PRO 8 Cb 0.00 -1.57 -0.00 0.00 0.04 0.00 0.00 34.50 32.97 1x4x s PRO 8 CO 0.00 -3.89 1.06 0.34 0.04 0.00 0.00 177.00 174.55 1x4x s ASP 9 N -3.99 5.61 0.42 6.66 2.15 -1.26 -4.71 116.67 121.56 1x4x s ASP 9 Ca 0.72 1.44 -0.23 0.00 0.43 0.00 0.00 52.55 54.91 1x4x s ASP 9 Cb -0.08 -2.35 -0.12 0.00 -0.30 0.00 0.00 42.92 40.07 1x4x s ASP 9 CO 0.56 -1.27 0.65 1.67 -0.17 0.00 0.00 175.17 176.61 1x4x n GLN 10 N -3.00 0.72 -3.58 4.34 7.27 -1.26 -4.81 117.38 117.06 1x4x n GLN 10 Ca 0.07 0.26 -0.37 0.00 0.07 0.00 0.00 57.00 57.03 1x4x n GLN 10 Cb 0.55 -1.63 -0.06 0.00 2.41 0.00 0.00 30.24 31.50 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 -0.41 3.19 0.22 0.00 -0.14 -1.26 -3.85 119.74 117.49 1x4x s LYS 12 Ca 0.19 1.39 -0.30 0.00 -1.36 0.00 0.00 55.97 55.90 1x4x s LYS 12 Cb -0.14 -2.00 -0.09 0.00 -1.68 0.00 0.00 37.83 33.92 1x4x s LYS 12 CO 0.08 -0.94 1.29 -1.25 -0.76 0.00 0.00 175.35 173.76 1x4x s PRO 13 N -3.79 4.41 0.80 -1.68 0.04 -1.26 -4.75 135.00 128.76 1x4x s PRO 13 Ca 0.68 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.66 1x4x s PRO 13 Cb -0.20 -3.18 0.07 0.00 0.04 0.00 0.00 34.50 31.24 1x4x s PRO 13 CO 0.34 -0.20 1.09 -1.25 0.04 0.00 0.00 177.00 177.02 1x4x s PRO 14 N -0.43 2.02 -0.34 0.56 0.04 -1.26 -4.95 135.00 130.64 1x4x s PRO 14 Ca 0.55 1.09 -0.13 0.00 0.04 0.00 0.00 61.00 62.54 1x4x s PRO 14 Cb -0.36 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1x4x s PRO 14 CO 0.40 -1.79 0.28 -1.14 0.04 0.00 0.00 177.00 174.79 1x4x s GLN 15 N -4.91 3.54 0.20 4.56 0.74 0.14 -4.84 119.66 119.10 1x4x s GLN 15 Ca 0.62 -0.56 -0.17 0.00 0.05 0.00 0.00 55.36 55.30 1x4x s GLN 15 Cb -0.17 -3.80 -0.08 0.00 1.10 0.00 0.00 33.01 30.06 1x4x s GLN 15 CO 0.56 -0.45 0.66 0.14 -0.55 0.00 0.00 175.29 175.64 1x4x s VAL 16 N 1.81 4.69 -0.23 1.34 -7.23 -1.26 -2.43 120.40 117.10 1x4x s VAL 16 Ca 0.08 1.07 -0.04 0.00 -1.81 0.00 0.00 61.98 61.28 1x4x s VAL 16 Cb -0.17 -3.79 0.08 0.00 0.56 0.00 0.00 36.38 33.06 1x4x s VAL 16 CO 0.11 0.18 0.09 -0.89 -0.31 0.00 0.00 175.10 174.28 1x4x s THR 17 N -1.54 0.13 -0.42 5.32 2.01 -0.05 -4.97 115.64 116.12 1x4x s THR 17 Ca 0.42 -0.54 -0.27 0.00 0.31 0.00 0.00 61.69 61.60 1x4x s THR 17 Cb -0.15 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1x4x s THR 17 CO 0.20 -0.44 1.98 0.00 -0.69 0.00 0.00 174.62 175.66 1x4x h ARG 19 N 14.85 0.00 0.00 0.00 2.47 -1.76 -3.48 114.38 126.46 1x4x h ARG 19 Ca -0.31 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.56 1x4x h ARG 19 Cb 1.19 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.49 1x4x h ARG 19 CO 1.09 0.92 0.53 0.45 0.56 0.00 0.00 179.97 183.52 1x4x n SER 20 N -3.33 -1.45 -0.33 7.04 2.88 -0.99 -4.91 113.62 112.53 1x4x n SER 20 Ca 0.00 -1.73 0.05 0.00 -1.33 0.00 0.00 58.87 55.86 1x4x n SER 20 Cb 0.90 2.35 0.24 0.00 -0.75 0.00 0.00 64.21 66.96 1x4x n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4x h ALA 21 N 2.00 1.52 -0.10 -1.46 0.00 -1.94 -2.60 119.26 116.68 1x4x h ALA 21 Ca -0.23 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1x4x h ALA 21 Cb 1.02 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1x4x h ALA 21 CO 0.31 0.30 -0.56 0.25 0.00 0.00 0.00 179.25 179.55 1x4x n THR 22 N -4.53 2.17 -3.96 0.00 -2.24 -1.26 -3.41 114.28 101.05 1x4x n THR 22 Ca 0.16 -3.29 -0.12 0.00 -2.27 0.00 0.00 64.05 58.53 1x4x n THR 22 Cb 0.26 -0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.06 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 -0.61 -1.11 0.01 0.00 0.00 0.78 -2.17 121.76 118.66 1x4x s ALA 24 Ca -0.06 0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 1x4x s ALA 24 Cb -0.04 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 1x4x s ALA 24 CO -0.00 -0.74 -0.01 -1.14 0.00 0.00 0.00 175.76 173.87 1x4x s GLN 25 N -3.82 0.10 0.08 0.00 0.74 -0.78 0.09 119.66 116.06 1x4x s GLN 25 Ca 0.05 -0.19 0.09 0.00 0.05 0.00 0.00 55.36 55.36 1x4x s GLN 25 Cb -0.00 0.04 -0.03 0.00 1.10 0.00 0.00 33.01 34.11 1x4x s GLN 25 CO -0.09 -0.02 -0.25 0.08 -0.55 0.00 0.00 175.29 174.47 1x4x s VAL 26 N -0.45 2.02 -0.09 1.34 1.01 0.15 -0.87 120.40 123.51 1x4x s VAL 26 Ca -0.05 -1.48 -0.04 0.00 0.00 0.00 0.00 61.98 60.41 1x4x s VAL 26 Cb -0.03 -1.77 0.05 0.00 0.00 0.00 0.00 36.38 34.63 1x4x s VAL 26 CO -0.00 0.20 0.19 0.20 0.00 0.00 0.00 175.10 175.68 1x4x s ASN 27 N -1.56 0.24 0.43 3.32 0.01 -1.02 -1.50 114.94 114.86 1x4x s ASN 27 Ca 0.11 0.40 0.00 0.00 -0.71 0.00 0.00 52.86 52.66 1x4x s ASN 27 Cb -0.10 0.34 -0.00 0.00 0.41 0.00 0.00 41.25 41.90 1x4x s ASN 27 CO 0.03 -0.20 0.02 -2.67 -1.51 0.00 0.00 177.10 172.77 1x4x n TRP 28 N 4.79 0.91 -4.07 2.20 2.14 -0.45 0.26 117.44 123.21 1x4x n TRP 28 Ca -0.15 -2.21 -0.11 0.00 2.07 0.00 0.00 57.50 57.09 1x4x n TRP 28 Cb 0.51 -0.26 -0.06 0.00 -0.81 0.00 0.00 31.31 30.69 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 -3.58 1.58 -0.11 -2.67 -1.05 -1.26 -4.74 118.70 106.87 1x4x s GLU 29 Ca 0.02 -1.49 -0.11 0.00 -0.15 0.00 0.00 54.97 53.24 1x4x s GLU 29 Cb 0.00 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 34.06 1x4x s GLU 29 CO 0.02 -0.63 0.26 0.08 0.95 0.00 0.00 175.26 175.93 1x4x s VAL 30 N -3.76 5.31 0.15 1.83 1.01 -1.26 -4.76 120.40 118.92 1x4x s VAL 30 Ca 0.29 0.48 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 1x4x s VAL 30 Cb 0.01 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.87 1x4x s VAL 30 CO 0.13 0.52 0.14 -0.81 0.00 0.00 0.00 175.10 175.08 1x4x n PRO 31 N 2.58 -1.29 -1.09 2.72 -0.04 -1.26 -4.85 135.00 131.76 1x4x n PRO 31 Ca -0.15 -0.22 -0.15 0.00 -0.04 0.00 0.00 63.50 62.94 1x4x n PRO 31 Cb 0.53 -0.20 -0.14 0.00 -0.04 0.00 0.00 33.50 33.64 1x4x n PRO 31 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x4x n LEU 32 N 0.00 5.49 -4.39 1.53 4.32 -1.26 -4.93 117.00 117.77 1x4x n LEU 32 Ca 0.02 -3.35 -0.50 0.00 -0.02 0.00 0.00 56.01 52.16 1x4x n LEU 32 Cb 0.07 -1.38 -0.13 0.00 -1.62 0.00 0.00 43.42 40.36 1x4x n LEU 32 CO 0.05 1.70 1.99 -0.24 -1.22 0.00 0.00 177.39 179.67 1x4x n SER 33 N 2.15 0.56 -0.36 -1.43 2.88 -1.26 -4.75 113.62 111.41 1x4x n SER 33 Ca 0.44 0.40 0.05 0.00 -1.33 0.00 0.00 58.87 58.43 1x4x n SER 33 Cb 0.84 -0.93 0.13 0.00 -0.75 0.00 0.00 64.21 63.50 1x4x n SER 33 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1x4x n ASN 34 N 9.19 -0.39 -1.70 -3.46 0.23 -1.26 -4.22 115.26 113.65 1x4x n ASN 34 Ca 0.60 1.72 -0.01 0.00 -0.53 0.00 0.00 54.58 56.36 1x4x n ASN 34 Cb 0.01 -0.50 0.03 0.00 -2.08 0.00 0.00 39.78 37.24 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 -1.61 -0.05 3.36 4.83 0.00 -1.26 -5.15 105.19 105.31 1x4x n GLY 35 Ca 0.15 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 0.04 2.10 -0.40 2.61 -4.23 -1.26 -5.11 115.64 109.38 1x4x s THR 36 Ca 0.02 -1.68 -0.14 0.00 -1.18 0.00 0.00 61.69 58.71 1x4x s THR 36 Cb 0.12 -1.87 0.02 0.00 1.34 0.00 0.00 72.50 72.11 1x4x s THR 36 CO -0.04 0.06 0.28 1.51 -0.54 0.00 0.00 174.62 175.89 1x4x s ASP 37 N -1.98 6.04 -0.50 3.99 -4.77 -1.26 -4.87 116.67 113.32 1x4x s ASP 37 Ca 0.12 -0.87 -0.28 0.00 -3.30 0.00 0.00 52.55 48.22 1x4x s ASP 37 Cb -0.10 -2.14 -0.09 0.00 -1.09 0.00 0.00 42.92 39.51 1x4x s ASP 37 CO 0.05 -0.42 2.41 0.52 0.70 0.00 0.00 175.17 178.43 1x4x n VAL 38 N 5.13 0.01 -0.04 2.11 0.31 -1.26 -4.46 118.33 120.13 1x4x n VAL 38 Ca -0.11 -0.62 -0.06 0.00 -0.01 0.00 0.00 64.34 63.54 1x4x n VAL 38 Cb 0.47 -2.41 -0.04 0.00 -0.91 0.00 0.00 33.84 30.95 1x4x n VAL 38 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1x4x h THR 39 N 7.61 0.00 -3.95 2.52 1.35 0.21 -3.46 112.91 117.20 1x4x h THR 39 Ca -0.24 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.49 1x4x h THR 39 Cb 1.27 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 67.59 1x4x h THR 39 CO 1.15 0.00 -0.26 -1.83 -0.25 0.00 0.00 175.52 174.32 1x4x s GLU 40 N -4.11 1.48 -0.16 4.72 -1.05 -1.24 -4.63 118.70 113.71 1x4x s GLU 40 Ca -0.06 -1.40 0.01 0.00 -0.15 0.00 0.00 54.97 53.38 1x4x s GLU 40 Cb 0.03 0.41 0.02 0.00 -0.44 0.00 0.00 34.13 34.15 1x4x s GLU 40 CO 0.26 -0.59 -0.20 0.71 0.95 0.00 0.00 175.26 176.39 1x4x s TYR 41 N -3.98 2.67 -0.49 4.83 2.02 -0.84 -1.82 117.35 119.73 1x4x s TYR 41 Ca 0.28 -1.50 -0.16 0.00 -0.37 0.00 0.00 57.07 55.32 1x4x s TYR 41 Cb 0.01 -1.84 0.08 0.00 -0.40 0.00 0.00 41.96 39.81 1x4x s TYR 41 CO 0.11 -0.73 0.46 1.03 -1.57 0.00 0.00 175.55 174.85 1x4x s ARG 42 N 1.15 3.00 -0.29 -0.62 0.52 -1.21 -2.57 118.95 118.93 1x4x s ARG 42 Ca 0.01 -1.35 -0.15 0.00 -0.52 0.00 0.00 55.73 53.72 1x4x s ARG 42 Cb -0.14 -4.16 -0.03 0.00 0.52 0.00 0.00 34.95 31.14 1x4x s ARG 42 CO -0.09 -1.13 0.36 -1.17 0.02 0.00 0.00 175.30 173.29 1x4x s LEU 43 N 1.81 4.12 -0.13 2.53 2.96 -0.68 -3.63 118.68 125.67 1x4x s LEU 43 Ca 0.06 0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 54.03 1x4x s LEU 43 Cb -0.25 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1x4x s LEU 43 CO 0.07 -0.21 0.17 -1.61 -1.32 0.00 0.00 176.35 173.44 1x4x s GLU 44 N 2.05 3.66 -0.15 1.98 2.02 -0.65 -1.19 118.70 126.41 1x4x s GLU 44 Ca 0.14 -0.09 -0.09 0.00 0.02 0.00 0.00 54.97 54.94 1x4x s GLU 44 Cb -0.16 -3.25 0.05 0.00 0.10 0.00 0.00 34.13 30.87 1x4x s GLU 44 CO 0.11 0.66 0.37 -0.46 0.02 0.00 0.00 175.26 175.95 1x4x s TRP 45 N -0.70 -0.50 0.18 1.61 -0.11 0.20 -2.25 118.94 117.37 1x4x s TRP 45 Ca 0.14 1.11 0.00 0.00 1.22 0.00 0.00 56.10 58.58 1x4x s TRP 45 Cb -0.12 0.19 0.00 0.00 -1.50 0.00 0.00 33.47 32.04 1x4x s TRP 45 CO 0.04 -0.28 0.00 0.41 -4.62 0.00 0.00 176.95 172.49 1x4x n GLY 46 N 3.90 -0.81 0.00 5.86 0.00 -1.23 -3.97 105.19 108.94 1x4x n GLY 46 Ca -0.21 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1x4x n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4x n GLY 47 N 0.46 1.88 3.17 -0.02 0.00 -1.26 -4.88 105.19 104.54 1x4x n GLY 47 Ca 0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 2.40 0.57 1.61 1.01 -1.24 -3.42 120.40 121.33 1x4x s VAL 48 Ca 0.00 -0.83 0.38 0.00 0.00 0.00 0.00 61.98 61.53 1x4x s VAL 48 Cb 0.00 -2.04 0.55 0.00 0.00 0.00 0.00 36.38 34.90 1x4x s VAL 48 CO 0.00 0.51 1.60 1.05 0.00 0.00 0.00 175.10 178.25 1x4x h GLU 49 N 7.98 0.00 -0.40 2.72 4.11 -1.93 0.89 114.58 127.96 1x4x h GLU 49 Ca -0.45 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.85 1x4x h GLU 49 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1x4x h GLU 49 CO 0.63 0.00 -0.28 0.78 0.07 0.00 0.00 179.01 180.21 1x4x h GLY 50 N 0.00 0.94 -6.73 1.06 0.00 -2.03 -3.42 103.07 92.88 1x4x h GLY 50 Ca 0.63 -0.86 -0.46 0.00 0.00 0.00 0.00 47.33 46.63 1x4x h GLY 50 CO -0.01 0.78 -0.78 -0.45 0.00 0.00 0.00 176.54 176.09 1x4x s SER 51 N -6.78 1.66 0.14 0.19 0.15 0.31 -5.13 113.70 104.24 1x4x s SER 51 Ca -0.10 -0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.21 1x4x s SER 51 Cb 0.12 -0.58 0.04 0.00 -1.71 0.00 0.00 66.02 63.90 1x4x s SER 51 CO 0.86 -0.14 0.46 -0.04 1.20 0.00 0.00 173.24 175.58 1x4x s MET 52 N 1.66 1.17 0.33 5.44 -1.94 -1.26 -3.62 119.30 121.08 1x4x s MET 52 Ca 0.01 -0.68 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 1x4x s MET 52 Cb -0.13 0.50 -0.02 0.00 2.01 0.00 0.00 34.83 37.19 1x4x s MET 52 CO -0.05 -0.48 0.32 1.14 -0.01 0.00 0.00 175.02 175.94 1x4x s GLN 53 N -3.80 1.78 0.20 2.03 0.00 -1.25 -4.95 119.66 113.67 1x4x s GLN 53 Ca 0.04 -1.96 -0.30 0.00 -0.00 0.00 0.00 55.36 53.14 1x4x s GLN 53 Cb 0.01 0.35 -0.08 0.00 0.00 0.00 0.00 33.01 33.28 1x4x s GLN 53 CO -0.11 -0.68 1.21 0.42 0.00 0.00 0.00 175.29 176.14 1x4x s ILE 54 N -3.37 3.47 -0.03 3.63 -1.09 -1.26 0.61 121.20 123.16 1x4x s ILE 54 Ca 0.39 1.26 0.01 0.00 -2.23 0.00 0.00 60.65 60.07 1x4x s ILE 54 Cb 0.02 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1x4x s ILE 54 CO 0.26 0.21 -0.02 0.00 -1.23 0.00 0.00 174.94 174.16 1x4x s TYR 56 N -2.06 -0.04 -0.02 0.00 6.14 -1.09 -5.05 117.35 115.22 1x4x s TYR 56 Ca -0.03 0.11 0.01 0.00 0.64 0.00 0.00 57.07 57.80 1x4x s TYR 56 Cb 0.01 0.00 0.02 0.00 0.42 0.00 0.00 41.96 42.41 1x4x s TYR 56 CO 0.09 -0.07 -0.02 0.00 0.64 0.00 0.00 175.55 176.19 1x4x n GLY 58 N 3.75 2.74 0.05 0.00 0.00 -1.06 -4.95 105.19 105.72 1x4x n GLY 58 Ca -0.22 -1.06 0.09 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.11 0.08 -0.89 1.61 -0.04 -1.26 -1.99 135.00 131.40 1x4x n PRO 59 Ca 0.00 0.32 -0.35 0.00 -0.04 0.00 0.00 63.50 63.43 1x4x n PRO 59 Cb 0.00 -1.65 0.08 0.00 -0.04 0.00 0.00 33.50 31.90 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 -0.03 -3.23 0.00 0.55 0.00 -1.26 -4.85 105.19 96.37 1x4x n GLY 60 Ca 0.03 -0.62 0.01 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 1.37 0.10 -3.81 0.99 4.77 -1.26 -4.86 117.00 114.31 1x4x n LEU 61 Ca 0.01 -0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 55.39 1x4x n LEU 61 Cb 0.61 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.59 1x4x n LEU 61 CO 0.50 0.03 -0.14 -0.44 -1.33 0.00 0.00 177.39 176.01 1x4x s SER 62 N -1.28 -0.18 0.01 -1.43 0.01 -1.26 -1.35 113.70 108.22 1x4x s SER 62 Ca 0.01 0.31 -0.05 0.00 1.31 0.00 0.00 55.95 57.53 1x4x s SER 62 Cb 0.02 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.63 1x4x s SER 62 CO 0.09 -0.13 0.08 -0.47 0.41 0.00 0.00 173.24 173.23 1x4x s TYR 63 N -0.16 0.12 -0.16 2.43 5.04 -0.56 -5.03 117.35 119.02 1x4x s TYR 63 Ca -0.03 -0.28 -0.02 0.00 -2.44 0.00 0.00 57.07 54.30 1x4x s TYR 63 Cb -0.02 -0.10 -0.02 0.00 0.35 0.00 0.00 41.96 42.17 1x4x s TYR 63 CO 0.01 -0.26 -0.08 -2.00 -1.34 0.00 0.00 175.55 171.88 1x4x s GLU 64 N -1.48 3.47 -0.08 4.97 2.12 -1.26 -0.67 118.70 125.76 1x4x s GLU 64 Ca -0.15 -0.62 -0.01 0.00 0.36 0.00 0.00 54.97 54.56 1x4x s GLU 64 Cb -0.08 -2.83 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 1x4x s GLU 64 CO 0.00 0.10 -0.04 0.42 -0.54 0.00 0.00 175.26 175.21 1x4x s ILE 65 N 0.69 3.98 0.31 -3.70 1.01 0.11 -4.98 121.20 118.61 1x4x s ILE 65 Ca -0.04 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1x4x s ILE 65 Cb -0.15 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 1x4x s ILE 65 CO 0.02 0.59 0.27 -0.54 0.00 0.00 0.00 174.94 175.29 1x4x s LYS 66 N -0.75 1.66 -0.40 2.79 1.02 -1.26 -0.16 119.74 122.65 1x4x s LYS 66 Ca 0.11 -1.91 -0.02 0.00 0.02 0.00 0.00 55.97 54.17 1x4x s LYS 66 Cb -0.11 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 1x4x s LYS 66 CO 0.02 -0.61 0.32 0.41 -0.92 0.00 0.00 175.35 174.56 1x4x n GLY 67 N -0.55 0.49 4.01 -3.33 0.00 -0.71 -4.98 105.19 100.12 1x4x n GLY 67 Ca 0.06 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.74 3.01 -0.02 0.99 1.43 -0.97 -5.05 118.68 115.32 1x4x s LEU 68 Ca 0.16 -0.94 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 1x4x s LEU 68 Cb -0.07 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1x4x s LEU 68 CO 0.20 -1.31 -0.12 -0.55 0.23 0.00 0.00 176.35 174.80 1x4x s SER 69 N -4.60 4.23 0.68 2.29 0.15 -1.26 -4.40 113.70 110.80 1x4x s SER 69 Ca 0.56 -0.21 -0.14 0.00 0.70 0.00 0.00 55.95 56.87 1x4x s SER 69 Cb -0.05 -0.90 0.01 0.00 -1.71 0.00 0.00 66.02 63.37 1x4x s SER 69 CO 0.35 0.31 1.11 -2.16 1.20 0.00 0.00 173.24 174.05 1x4x s PRO 70 N -1.09 2.68 -1.32 5.44 0.04 -1.22 -3.85 135.00 135.68 1x4x s PRO 70 Ca 0.14 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.42 1x4x s PRO 70 Cb -0.11 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1x4x s PRO 70 CO 0.04 -1.34 0.52 0.00 0.04 0.00 0.00 177.00 176.26 1x4x n ALA 71 N -2.66 -2.23 -3.09 8.56 0.00 0.07 -4.82 120.51 116.34 1x4x n ALA 71 Ca 0.10 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 1x4x n ALA 71 Cb 0.52 -2.28 -0.13 0.00 0.00 0.00 0.00 19.45 17.57 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 -3.81 -0.00 0.45 0.00 2.01 -1.24 -4.96 115.64 108.09 1x4x s THR 72 Ca 0.18 0.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.00 1x4x s THR 72 Cb -0.08 -0.23 -0.10 0.00 0.01 0.00 0.00 72.50 72.10 1x4x s THR 72 CO 0.90 0.01 0.96 -0.89 -0.69 0.00 0.00 174.62 174.90 1x4x s THR 73 N 0.18 4.40 0.16 -0.82 2.01 -1.26 -2.47 115.64 117.84 1x4x s THR 73 Ca -0.01 1.42 -0.07 0.00 0.31 0.00 0.00 61.69 63.35 1x4x s THR 73 Cb -0.02 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 1x4x s THR 73 CO -0.00 -0.39 0.23 -0.31 -0.69 0.00 0.00 174.62 173.45 1x4x s TYR 74 N -2.26 0.55 0.02 4.92 2.02 -0.47 -4.68 117.35 117.44 1x4x s TYR 74 Ca 0.62 -0.91 -0.12 0.00 -0.37 0.00 0.00 57.07 56.29 1x4x s TYR 74 Cb -0.09 -0.17 0.01 0.00 -0.40 0.00 0.00 41.96 41.31 1x4x s TYR 74 CO 0.17 -0.68 0.26 0.71 -1.57 0.00 0.00 175.55 174.44 1x4x s TYR 75 N -4.00 -0.07 -0.16 2.71 2.02 -1.24 -2.37 117.35 114.24 1x4x s TYR 75 Ca 0.20 -0.01 -0.22 0.00 -0.37 0.00 0.00 57.07 56.67 1x4x s TYR 75 Cb 0.04 0.05 0.06 0.00 -0.40 0.00 0.00 41.96 41.71 1x4x s TYR 75 CO 0.01 -0.43 0.58 0.00 -1.57 0.00 0.00 175.55 174.15 1x4x s ARG 77 N -0.23 0.53 0.01 0.00 1.70 -0.95 -2.30 118.95 117.70 1x4x s ARG 77 Ca -0.04 -0.15 0.08 0.00 -0.47 0.00 0.00 55.73 55.15 1x4x s ARG 77 Cb -0.03 -0.54 -0.02 0.00 -0.57 0.00 0.00 34.95 33.78 1x4x s ARG 77 CO 0.03 0.05 -0.26 0.54 -1.08 0.00 0.00 175.30 174.58 1x4x s VAL 78 N 0.24 2.06 0.05 4.99 0.11 -1.26 -1.64 120.40 124.95 1x4x s VAL 78 Ca -0.03 -1.21 0.01 0.00 -2.93 0.00 0.00 61.98 57.82 1x4x s VAL 78 Cb -0.06 -1.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.03 1x4x s VAL 78 CO -0.00 0.49 -0.05 0.00 -3.33 0.00 0.00 175.10 172.20 1x4x s GLN 79 N -0.86 0.52 -0.23 1.54 -2.07 -1.24 -1.67 119.66 115.65 1x4x s GLN 79 Ca 0.11 -0.88 -0.09 0.00 -1.82 0.00 0.00 55.36 52.67 1x4x s GLN 79 Cb -0.10 -0.06 -0.04 0.00 -1.09 0.00 0.00 33.01 31.72 1x4x s GLN 79 CO 0.00 -0.02 0.13 0.00 -1.32 0.00 0.00 175.29 174.08 1x4x s ALA 80 N -2.20 3.49 -0.14 2.60 0.00 -1.26 -3.29 121.76 120.96 1x4x s ALA 80 Ca -0.06 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 1x4x s ALA 80 Cb -0.04 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 1x4x s ALA 80 CO -0.03 -0.18 0.20 -0.51 0.00 0.00 0.00 175.76 175.24 1x4x s LEU 81 N 1.05 4.30 0.00 0.00 1.02 -0.76 -0.28 118.68 124.01 1x4x s LEU 81 Ca 0.06 0.45 0.02 0.00 0.02 0.00 0.00 54.13 54.68 1x4x s LEU 81 Cb -0.14 -2.20 0.02 0.00 0.02 0.00 0.00 46.19 43.90 1x4x s LEU 81 CO 0.04 0.25 0.20 -1.54 0.02 0.00 0.00 176.35 175.32 1x4x n SER 82 N 2.86 1.91 -0.66 2.29 3.41 -1.18 0.21 113.62 122.47 1x4x n SER 82 Ca -0.16 -1.97 0.13 0.00 -0.26 0.00 0.00 58.87 56.60 1x4x n SER 82 Cb 0.53 -0.01 0.25 0.00 -0.26 0.00 0.00 64.21 64.72 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 -1.14 0.00 0.02 -3.33 0.24 -1.26 -4.04 118.33 108.81 1x4x n VAL 83 Ca -0.01 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1x4x n VAL 83 Cb 0.32 1.02 -0.00 0.00 -1.47 0.00 0.00 33.84 33.71 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 0.54 0.00 0.00 3.34 3.14 -1.26 -5.10 118.33 118.99 1x4x n VAL 84 Ca 0.15 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 1x4x n VAL 84 Cb 0.47 1.00 0.00 0.00 -1.06 0.00 0.00 33.84 34.25 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 0.93 0.75 3.58 7.55 0.00 -1.26 -4.75 105.19 111.98 1x4x n GLY 85 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.38 0.68 4.61 0.00 -1.26 -3.11 121.76 119.31 1x4x s ALA 86 Ca 0.00 2.17 -0.13 0.00 0.00 0.00 0.00 51.96 54.00 1x4x s ALA 86 Cb 0.00 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.33 1x4x s ALA 86 CO 0.00 -0.54 1.09 0.20 0.00 0.00 0.00 175.76 176.51 1x4x s GLY 87 N 1.72 1.94 0.95 0.00 0.00 0.61 -4.84 107.32 107.71 1x4x s GLY 87 Ca -0.07 0.38 -0.12 0.00 0.00 0.00 0.00 44.72 44.90 1x4x s GLY 87 CO -0.16 0.71 1.09 2.56 0.00 0.00 0.00 173.10 177.31 1x4x s PRO 88 N -4.45 0.80 0.02 2.90 0.04 -1.26 -4.40 135.00 128.65 1x4x s PRO 88 Ca 0.63 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.04 1x4x s PRO 88 Cb -0.18 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1x4x s PRO 88 CO 0.47 -2.51 0.93 -0.06 0.04 0.00 0.00 177.00 175.87 1x4x s PHE 89 N -2.95 3.69 1.12 0.56 0.08 -1.26 -4.27 117.98 114.95 1x4x s PHE 89 Ca 0.64 1.66 -0.18 0.00 0.12 0.00 0.00 56.93 59.18 1x4x s PHE 89 Cb -0.18 -3.05 0.27 0.00 -0.57 0.00 0.00 43.02 39.49 1x4x s PHE 89 CO 0.57 0.07 0.62 -1.13 -0.10 0.00 0.00 175.22 175.25 1x4x n SER 90 N 3.54 -3.53 -4.63 1.36 3.41 -0.67 -4.84 113.62 108.27 1x4x n SER 90 Ca 0.04 -0.63 -0.43 0.00 -0.26 0.00 0.00 58.87 57.59 1x4x n SER 90 Cb 0.51 -0.78 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 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 -4.27 3.78 -0.36 4.33 2.02 -1.26 -4.78 118.70 118.17 1x4x s GLU 91 Ca 0.48 1.44 -0.44 0.00 0.02 0.00 0.00 54.97 56.47 1x4x s GLU 91 Cb -0.08 -3.99 -0.19 0.00 0.10 0.00 0.00 34.13 29.96 1x4x s GLU 91 CO 0.40 -1.30 1.52 0.28 0.02 0.00 0.00 175.26 176.18 1x4x n VAL 92 N 6.47 0.04 -3.50 2.63 0.31 -1.26 -4.67 118.33 118.34 1x4x n VAL 92 Ca 0.17 -0.01 -0.39 0.00 -0.01 0.00 0.00 64.34 64.11 1x4x n VAL 92 Cb 0.46 -0.53 -0.10 0.00 -0.91 0.00 0.00 33.84 32.76 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 2.44 5.25 0.17 2.52 1.01 -0.97 -4.94 120.40 125.88 1x4x s VAL 93 Ca 1.01 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 63.22 1x4x s VAL 93 Cb -1.38 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 31.33 1x4x s VAL 93 CO 0.74 0.20 0.46 0.00 0.00 0.00 0.00 175.10 176.50 1x4x s ALA 94 N 1.89 3.67 -0.28 5.51 0.00 -1.26 -2.88 121.76 128.40 1x4x s ALA 94 Ca 0.10 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 1x4x s ALA 94 Cb -0.16 -2.30 0.09 0.00 0.00 0.00 0.00 23.12 20.75 1x4x s ALA 94 CO 0.11 0.58 0.68 0.00 0.00 0.00 0.00 175.76 177.12 1x4x s VAL 96 N 1.90 3.36 0.52 0.00 1.01 -1.26 -1.36 120.40 124.57 1x4x s VAL 96 Ca -0.09 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1x4x s VAL 96 Cb -0.06 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 1x4x s VAL 96 CO -0.20 0.39 1.10 0.42 0.00 0.00 0.00 175.10 176.81 1x4x s THR 97 N 1.47 3.34 0.51 3.92 -4.23 -1.03 -4.88 115.64 114.74 1x4x s THR 97 Ca 0.05 0.84 -0.21 0.00 -1.18 0.00 0.00 61.69 61.20 1x4x s THR 97 Cb -0.15 -3.34 -0.06 0.00 1.34 0.00 0.00 72.50 70.29 1x4x s THR 97 CO -0.03 -0.18 1.14 -2.16 -0.54 0.00 0.00 174.62 172.85 1x4x s PRO 98 N -3.25 3.50 0.22 3.99 0.04 -1.26 -0.75 135.00 137.48 1x4x s PRO 98 Ca 0.71 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 1x4x s PRO 98 Cb -0.22 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 1x4x s PRO 98 CO 0.25 -0.74 1.29 -1.25 0.04 0.00 0.00 177.00 176.59 1x4x s PRO 99 N -3.08 4.40 -0.26 0.56 0.04 -1.26 -2.66 135.00 132.75 1x4x s PRO 99 Ca 0.69 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.68 1x4x s PRO 99 Cb -0.25 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1x4x s PRO 99 CO 0.29 -0.21 0.15 0.45 0.04 0.00 0.00 177.00 177.72 1x4x s SER 100 N 0.18 5.83 -0.21 6.66 0.15 -1.26 -4.89 113.70 120.16 1x4x s SER 100 Ca 0.55 -0.01 -0.16 0.00 0.70 0.00 0.00 55.95 57.03 1x4x s SER 100 Cb -0.36 -2.06 -0.08 0.00 -1.71 0.00 0.00 66.02 61.80 1x4x s SER 100 CO 0.40 0.00 -0.34 -0.24 1.20 0.00 0.00 173.24 174.26 1x4x n SER 101 N 4.71 1.89 0.00 5.45 2.88 -1.26 -5.07 113.62 122.21 1x4x n SER 101 Ca -0.15 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1x4x n SER 101 Cb 0.52 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 1.47 -0.41 3.56 0.46 0.00 -1.26 -5.09 105.19 103.91 1x4x n GLY 102 Ca -0.29 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.00 2.59 0.33 1.61 0.04 -1.26 -4.95 135.00 131.35 1x4x s PRO 103 Ca 0.00 0.15 -0.29 0.00 0.04 0.00 0.00 61.00 60.90 1x4x s PRO 103 Cb 0.00 -4.73 -0.12 0.00 0.04 0.00 0.00 34.50 29.69 1x4x s PRO 103 CO 0.00 -3.07 1.40 0.45 0.04 0.00 0.00 177.00 175.83 1x4x n SER 104 N 13.40 3.19 -4.58 6.66 2.88 -1.26 -4.94 113.62 128.96 1x4x n SER 104 Ca 0.31 1.19 -0.41 0.00 -1.33 0.00 0.00 58.87 58.62 1x4x n SER 104 Cb 0.49 -1.53 -0.07 0.00 -0.75 0.00 0.00 64.21 62.36 1x4x n SER 104 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4x s SER 105 N -0.05 6.45 0.00 -3.46 1.04 -1.26 -5.29 113.70 111.13 1x4x s SER 105 Ca 0.58 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1x4x s SER 105 Cb -0.55 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.25 1x4x s SER 105 CO 0.59 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.88