#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 2.74 -4.61 1.61 7.64 -1.26 -4.99 113.62 114.75 1x4x n SER 2 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1x4x n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -4.26 5.86 0.00 6.43 0.15 -1.26 -3.72 113.70 116.89 1x4x s SER 3 Ca 0.00 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.42 1x4x s SER 3 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1x4x s SER 3 CO 0.00 -1.66 0.00 0.61 1.20 0.00 0.00 173.24 173.39 1x4x n GLY 4 N 5.33 0.25 2.68 9.45 0.00 -1.26 -5.00 105.19 116.64 1x4x n GLY 4 Ca 0.25 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1x4x n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4x n SER 5 N -0.44 7.44 -4.84 1.61 3.41 -1.24 -4.97 113.62 114.58 1x4x n SER 5 Ca 0.00 -3.66 -0.27 0.00 -0.26 0.00 0.00 58.87 54.68 1x4x n SER 5 Cb 0.20 -1.17 -0.04 0.00 -0.26 0.00 0.00 64.21 62.95 1x4x n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x4x s SER 6 N -1.06 4.49 0.00 4.04 1.04 -1.26 -5.09 113.70 115.86 1x4x s SER 6 Ca 0.44 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1x4x s SER 6 Cb 0.25 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1x4x s SER 6 CO -0.20 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.70 1x4x n GLY 7 N -1.54 1.68 3.31 7.32 0.00 -1.26 -5.05 105.19 109.65 1x4x n GLY 7 Ca -0.06 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 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 1.66 -3.05 -3.03 1.61 -0.04 -1.26 -5.05 135.00 125.84 1x4x n PRO 8 Ca 0.00 -1.65 -0.25 0.00 -0.04 0.00 0.00 63.50 61.56 1x4x n PRO 8 Cb 0.00 -1.55 -0.00 0.00 -0.04 0.00 0.00 33.50 31.91 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 -4.29 6.15 0.62 3.54 2.15 -1.26 -4.92 116.67 118.67 1x4x s ASP 9 Ca 0.67 0.57 -0.17 0.00 0.43 0.00 0.00 52.55 54.04 1x4x s ASP 9 Cb -0.07 -1.97 -0.11 0.00 -0.30 0.00 0.00 42.92 40.47 1x4x s ASP 9 CO 0.52 -0.51 0.05 1.67 -0.17 0.00 0.00 175.17 176.73 1x4x n GLN 10 N -2.03 0.16 -3.84 4.34 7.27 -1.26 -4.85 117.38 117.18 1x4x n GLN 10 Ca -0.01 0.07 -0.36 0.00 0.07 0.00 0.00 57.00 56.76 1x4x n GLN 10 Cb 0.56 -1.31 -0.07 0.00 2.41 0.00 0.00 30.24 31.83 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 -0.56 3.61 0.23 0.00 -0.14 -1.26 -3.92 119.74 117.70 1x4x s LYS 12 Ca 0.13 1.20 -0.30 0.00 -1.36 0.00 0.00 55.97 55.63 1x4x s LYS 12 Cb -0.12 -2.08 -0.09 0.00 -1.68 0.00 0.00 37.83 33.87 1x4x s LYS 12 CO 0.02 -0.57 1.28 -1.25 -0.76 0.00 0.00 175.35 174.07 1x4x s PRO 13 N -3.80 4.41 0.88 -1.68 0.04 -1.26 -4.78 135.00 128.82 1x4x s PRO 13 Ca 0.64 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.62 1x4x s PRO 13 Cb -0.15 -3.17 0.12 0.00 0.04 0.00 0.00 34.50 31.34 1x4x s PRO 13 CO 0.30 -0.18 1.09 -1.25 0.04 0.00 0.00 177.00 177.00 1x4x s PRO 14 N -0.60 1.37 -0.40 0.56 0.04 -1.26 -4.96 135.00 129.76 1x4x s PRO 14 Ca 0.54 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.32 1x4x s PRO 14 Cb -0.36 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1x4x s PRO 14 CO 0.41 -2.17 0.25 -1.14 0.04 0.00 0.00 177.00 174.39 1x4x s GLN 15 N -4.93 2.84 0.07 4.56 0.74 0.84 -4.86 119.66 118.92 1x4x s GLN 15 Ca 0.63 -1.14 -0.29 0.00 0.05 0.00 0.00 55.36 54.61 1x4x s GLN 15 Cb -0.18 -3.83 -0.05 0.00 1.10 0.00 0.00 33.01 30.05 1x4x s GLN 15 CO 0.57 -0.77 0.93 0.14 -0.55 0.00 0.00 175.29 175.61 1x4x s VAL 16 N 1.57 4.64 -0.40 1.34 -7.23 -1.26 -2.73 120.40 116.34 1x4x s VAL 16 Ca 0.03 1.99 0.01 0.00 -1.81 0.00 0.00 61.98 62.20 1x4x s VAL 16 Cb -0.20 -4.28 0.12 0.00 0.56 0.00 0.00 36.38 32.58 1x4x s VAL 16 CO 0.07 0.28 0.19 -0.89 -0.31 0.00 0.00 175.10 174.44 1x4x s THR 17 N 0.26 1.32 -0.03 5.32 2.01 -0.04 -4.99 115.64 119.48 1x4x s THR 17 Ca 0.47 -2.24 -0.34 0.00 0.31 0.00 0.00 61.69 59.89 1x4x s THR 17 Cb -0.22 -1.95 -0.12 0.00 0.01 0.00 0.00 72.50 70.22 1x4x s THR 17 CO 0.28 -0.82 1.81 0.00 -0.69 0.00 0.00 174.62 175.20 1x4x n ARG 19 N 5.90 0.66 -3.38 0.00 5.12 -1.16 -4.97 116.66 118.82 1x4x n ARG 19 Ca 0.21 -0.12 -0.01 0.00 -1.93 0.00 0.00 57.85 56.00 1x4x n ARG 19 Cb 0.29 -1.57 0.01 0.00 -1.16 0.00 0.00 32.46 30.04 1x4x n ARG 19 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1x4x n SER 20 N -2.40 -1.23 0.22 0.55 2.88 -1.15 -4.90 113.62 107.60 1x4x n SER 20 Ca -0.07 -1.56 0.07 0.00 -1.33 0.00 0.00 58.87 55.99 1x4x n SER 20 Cb 0.65 1.97 0.52 0.00 -0.75 0.00 0.00 64.21 66.60 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 1.32 0.00 -1.46 0.00 -1.96 -3.01 119.26 116.15 1x4x h ALA 21 Ca -0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1x4x h ALA 21 Cb 0.93 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1x4x h ALA 21 CO 0.27 0.31 -0.04 0.25 0.00 0.00 0.00 179.25 180.03 1x4x n THR 22 N -3.85 1.12 -4.31 0.00 -2.24 -1.26 -2.64 114.28 101.10 1x4x n THR 22 Ca -0.02 -1.25 -0.24 0.00 -2.27 0.00 0.00 64.05 60.27 1x4x n THR 22 Cb 0.33 0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.34 -1.45 -0.02 0.00 0.00 0.16 -2.93 121.76 116.18 1x4x s ALA 24 Ca 0.09 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 1x4x s ALA 24 Cb -0.09 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1x4x s ALA 24 CO 0.05 -0.67 0.06 -1.14 0.00 0.00 0.00 175.76 174.05 1x4x s GLN 25 N -3.34 0.09 0.08 0.00 0.74 -1.15 -0.22 119.66 115.85 1x4x s GLN 25 Ca -0.01 0.04 0.10 0.00 0.05 0.00 0.00 55.36 55.54 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 -0.01 -0.26 0.08 -0.55 0.00 0.00 175.29 174.46 1x4x s VAL 26 N -0.07 2.12 -0.07 1.34 1.01 0.09 -0.86 120.40 123.96 1x4x s VAL 26 Ca -0.01 -1.52 -0.03 0.00 0.00 0.00 0.00 61.98 60.42 1x4x s VAL 26 Cb -0.01 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1x4x s VAL 26 CO 0.00 0.22 0.09 0.20 0.00 0.00 0.00 175.10 175.61 1x4x s ASN 27 N -1.58 1.18 0.43 3.32 0.01 -1.10 -2.05 114.94 115.15 1x4x s ASN 27 Ca 0.12 0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 1x4x s ASN 27 Cb -0.10 -0.05 -0.00 0.00 0.41 0.00 0.00 41.25 41.51 1x4x s ASN 27 CO 0.04 -0.26 0.02 -2.67 -1.51 0.00 0.00 177.10 172.71 1x4x n TRP 28 N 5.30 0.90 -3.99 2.20 2.14 -0.82 -0.11 117.44 123.07 1x4x n TRP 28 Ca -0.04 -2.20 -0.10 0.00 2.07 0.00 0.00 57.50 57.24 1x4x n TRP 28 Cb 0.50 -0.25 -0.05 0.00 -0.81 0.00 0.00 31.31 30.70 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 -3.56 1.64 -0.11 -2.67 0.41 -1.26 -4.78 118.70 108.37 1x4x s GLU 29 Ca 0.03 -1.31 -0.12 0.00 -0.41 0.00 0.00 54.97 53.16 1x4x s GLU 29 Cb 0.00 0.48 -0.05 0.00 -1.78 0.00 0.00 34.13 32.79 1x4x s GLU 29 CO 0.02 -0.69 0.28 0.08 -0.49 0.00 0.00 175.26 174.46 1x4x s VAL 30 N -3.81 5.28 0.00 2.63 1.01 -1.26 -4.75 120.40 119.50 1x4x s VAL 30 Ca 0.22 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1x4x s VAL 30 Cb -0.01 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1x4x s VAL 30 CO 0.10 0.50 0.00 -0.81 0.00 0.00 0.00 175.10 174.89 1x4x n PRO 31 N 2.70 -0.85 -2.67 2.72 -0.04 -1.26 -4.93 135.00 130.66 1x4x n PRO 31 Ca -0.15 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.89 1x4x n PRO 31 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 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 3.70 -0.33 1.53 0.20 -1.26 -4.98 118.68 117.54 1x4x s LEU 32 Ca 0.00 0.06 0.02 0.00 0.69 0.00 0.00 54.13 54.91 1x4x s LEU 32 Cb 0.00 -3.16 0.10 0.00 -0.43 0.00 0.00 46.19 42.70 1x4x s LEU 32 CO 0.00 -1.33 0.08 -0.94 -0.29 0.00 0.00 176.35 173.87 1x4x s SER 33 N 2.76 4.46 -0.69 3.68 1.04 -1.26 -4.38 113.70 119.30 1x4x s SER 33 Ca 0.40 -1.98 -0.03 0.00 0.48 0.00 0.00 55.95 54.82 1x4x s SER 33 Cb -0.09 -1.32 0.21 0.00 0.10 0.00 0.00 66.02 64.92 1x4x s SER 33 CO 0.25 -0.39 2.37 -0.46 0.98 0.00 0.00 173.24 175.99 1x4x n ASN 34 N 4.45 7.07 0.00 7.02 0.23 -1.26 -4.59 115.26 128.17 1x4x n ASN 34 Ca 0.02 -3.54 0.00 0.00 -0.53 0.00 0.00 54.58 50.53 1x4x n ASN 34 Cb 0.42 -1.15 0.00 0.00 -2.08 0.00 0.00 39.78 36.96 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 0.16 -1.72 3.79 4.83 0.00 -1.26 -5.14 105.19 105.86 1x4x n GLY 35 Ca 0.52 0.60 -0.37 0.00 0.00 0.00 0.00 46.02 46.77 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 0.00 4.40 -0.16 2.61 -4.23 -1.26 -5.06 115.64 111.93 1x4x s THR 36 Ca 0.00 1.57 -0.02 0.00 -1.18 0.00 0.00 61.69 62.06 1x4x s THR 36 Cb 0.00 -3.98 -0.02 0.00 1.34 0.00 0.00 72.50 69.84 1x4x s THR 36 CO 0.00 0.26 -0.07 -0.62 -0.54 0.00 0.00 174.62 173.65 1x4x s ASP 37 N -1.52 4.35 -0.03 3.99 2.15 -1.26 -4.78 116.67 119.56 1x4x s ASP 37 Ca 0.44 -0.28 -0.30 0.00 0.43 0.00 0.00 52.55 52.84 1x4x s ASP 37 Cb -0.19 -1.70 -0.08 0.00 -0.30 0.00 0.00 42.92 40.65 1x4x s ASP 37 CO 0.23 0.11 2.01 -0.69 -0.17 0.00 0.00 175.17 176.66 1x4x s VAL 38 N 0.68 3.04 -0.03 1.11 1.01 -1.26 -4.61 120.40 120.34 1x4x s VAL 38 Ca -0.04 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 1x4x s VAL 38 Cb -0.15 -3.04 -0.11 0.00 0.00 0.00 0.00 36.38 33.08 1x4x s VAL 38 CO 0.02 -0.01 0.77 0.71 0.00 0.00 0.00 175.10 176.60 1x4x h THR 39 N 5.98 0.28 -4.15 3.92 1.35 -1.33 -3.48 112.91 115.48 1x4x h THR 39 Ca -0.47 -0.72 -0.45 0.00 -0.55 0.00 0.00 66.41 64.22 1x4x h THR 39 Cb 1.23 0.46 -0.14 0.00 -1.73 0.00 0.00 68.15 67.98 1x4x h THR 39 CO 0.95 0.07 -0.53 -1.83 -0.25 0.00 0.00 175.52 173.93 1x4x s GLU 40 N -3.55 1.69 -0.12 4.72 -1.05 -1.26 -4.49 118.70 114.64 1x4x s GLU 40 Ca -0.10 -1.98 -0.01 0.00 -0.15 0.00 0.00 54.97 52.72 1x4x s GLU 40 Cb 0.01 0.02 0.04 0.00 -0.44 0.00 0.00 34.13 33.75 1x4x s GLU 40 CO 0.34 -0.54 -0.03 0.71 0.95 0.00 0.00 175.26 176.70 1x4x s TYR 41 N -3.51 1.17 -0.48 4.83 1.51 -0.91 -2.74 117.35 117.21 1x4x s TYR 41 Ca 0.36 -0.63 -0.19 0.00 -1.01 0.00 0.00 57.07 55.59 1x4x s TYR 41 Cb 0.04 -1.07 0.05 0.00 -0.11 0.00 0.00 41.96 40.87 1x4x s TYR 41 CO 0.21 -0.49 0.62 1.03 -1.11 0.00 0.00 175.55 175.81 1x4x s ARG 42 N 1.81 3.16 -0.25 -0.62 0.52 -1.21 -2.94 118.95 119.42 1x4x s ARG 42 Ca 0.03 -0.75 -0.09 0.00 -0.52 0.00 0.00 55.73 54.41 1x4x s ARG 42 Cb -0.14 -4.05 -0.04 0.00 0.52 0.00 0.00 34.95 31.24 1x4x s ARG 42 CO -0.07 -1.15 0.12 -1.17 0.02 0.00 0.00 175.30 173.05 1x4x s LEU 43 N 2.67 3.71 -0.19 2.53 2.96 -0.84 -3.21 118.68 126.31 1x4x s LEU 43 Ca 0.17 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1x4x s LEU 43 Cb -0.18 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1x4x s LEU 43 CO 0.14 -0.02 0.06 -1.61 -1.32 0.00 0.00 176.35 173.60 1x4x s GLU 44 N 1.52 3.92 -0.04 1.98 2.02 -0.60 -1.39 118.70 126.11 1x4x s GLU 44 Ca 0.06 -0.37 -0.01 0.00 0.02 0.00 0.00 54.97 54.67 1x4x s GLU 44 Cb -0.15 -3.22 0.03 0.00 0.10 0.00 0.00 34.13 30.89 1x4x s GLU 44 CO 0.06 0.20 0.03 -0.46 0.02 0.00 0.00 175.26 175.12 1x4x s TRP 45 N 0.55 0.22 0.12 1.61 -0.11 -0.88 -2.10 118.94 118.35 1x4x s TRP 45 Ca 0.03 0.10 -0.06 0.00 1.22 0.00 0.00 56.10 57.39 1x4x s TRP 45 Cb -0.13 -0.48 -0.02 0.00 -1.50 0.00 0.00 33.47 31.34 1x4x s TRP 45 CO 0.01 -0.18 0.18 0.20 -4.62 0.00 0.00 176.95 172.53 1x4x s GLY 46 N 1.70 0.47 0.10 5.86 0.00 -1.20 -4.22 107.32 110.03 1x4x s GLY 46 Ca -0.01 -0.96 -0.22 0.00 0.00 0.00 0.00 44.72 43.53 1x4x s GLY 46 CO -0.03 -0.99 1.38 -1.33 0.00 0.00 0.00 173.10 172.13 1x4x h GLY 47 N 2.74 -1.35 -3.54 0.20 0.00 -1.89 -3.25 103.07 95.98 1x4x h GLY 47 Ca -0.33 0.83 -0.65 0.00 0.00 0.00 0.00 47.33 47.18 1x4x h GLY 47 CO 0.55 -0.29 -0.78 0.54 0.00 0.00 0.00 176.54 176.56 1x4x s VAL 48 N -4.80 2.80 0.28 4.60 0.11 -1.25 -3.85 120.40 118.29 1x4x s VAL 48 Ca -0.09 -1.74 0.01 0.00 -2.93 0.00 0.00 61.98 57.22 1x4x s VAL 48 Cb 0.07 -2.35 0.30 0.00 -1.53 0.00 0.00 36.38 32.87 1x4x s VAL 48 CO 0.43 -0.05 1.65 1.05 -3.33 0.00 0.00 175.10 174.85 1x4x h GLU 49 N 3.24 0.22 -0.42 1.54 -0.00 -1.91 0.58 114.58 117.83 1x4x h GLU 49 Ca -0.48 -0.01 0.09 0.00 -0.00 0.00 0.00 59.36 58.96 1x4x h GLU 49 Cb 1.20 -0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 29.87 1x4x h GLU 49 CO 0.50 0.14 0.29 0.78 -0.00 0.00 0.00 179.01 180.72 1x4x h GLY 50 N 0.23 0.25 -7.64 1.06 0.00 -1.96 -3.35 103.07 91.65 1x4x h GLY 50 Ca 0.53 -0.08 -0.68 0.00 0.00 0.00 0.00 47.33 47.09 1x4x h GLY 50 CO -0.63 0.05 -0.64 -0.56 0.00 0.00 0.00 176.54 174.76 1x4x s SER 51 N -6.47 5.03 -0.11 0.19 0.01 0.20 -5.07 113.70 107.49 1x4x s SER 51 Ca -0.06 -1.70 -0.08 0.00 1.31 0.00 0.00 55.95 55.43 1x4x s SER 51 Cb 0.19 -1.75 0.04 0.00 0.21 0.00 0.00 66.02 64.70 1x4x s SER 51 CO 0.72 -0.39 0.27 -0.04 0.41 0.00 0.00 173.24 174.21 1x4x s MET 52 N 1.16 0.27 0.18 12.44 -1.94 -1.26 -3.68 119.30 126.48 1x4x s MET 52 Ca 0.02 0.46 -0.01 0.00 -1.71 0.00 0.00 55.69 54.45 1x4x s MET 52 Cb -0.21 0.03 -0.04 0.00 2.01 0.00 0.00 34.83 36.62 1x4x s MET 52 CO -0.03 -0.10 0.11 -0.65 -0.01 0.00 0.00 175.02 174.34 1x4x s GLN 53 N 0.69 1.11 -0.28 2.03 -0.21 -1.26 -4.91 119.66 116.83 1x4x s GLN 53 Ca -0.05 -1.55 -0.28 0.00 0.02 0.00 0.00 55.36 53.50 1x4x s GLN 53 Cb -0.06 0.26 -0.06 0.00 1.00 0.00 0.00 33.01 34.16 1x4x s GLN 53 CO -0.04 -0.35 2.26 -0.89 -2.12 0.00 0.00 175.29 174.15 1x4x n ILE 54 N -0.21 0.26 -0.08 1.08 2.08 -1.26 -2.07 119.36 119.16 1x4x n ILE 54 Ca -0.01 -0.50 -0.22 0.00 0.56 0.00 0.00 62.75 62.58 1x4x n ILE 54 Cb 0.65 -2.52 -0.12 0.00 -0.75 0.00 0.00 39.64 36.90 1x4x n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x4x s TYR 56 N -2.50 -0.01 -0.01 0.00 6.14 -1.15 -5.06 117.35 114.76 1x4x s TYR 56 Ca -0.30 0.03 0.01 0.00 0.64 0.00 0.00 57.07 57.45 1x4x s TYR 56 Cb 0.08 0.00 0.00 0.00 0.42 0.00 0.00 41.96 42.47 1x4x s TYR 56 CO 0.65 -0.01 -0.03 0.00 0.64 0.00 0.00 175.55 176.79 1x4x n GLY 58 N 3.27 2.44 0.03 0.00 0.00 -1.15 -4.94 105.19 104.83 1x4x n GLY 58 Ca -0.16 -1.18 0.08 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.18 0.04 -0.78 1.61 -0.04 -1.26 -2.14 135.00 131.25 1x4x n PRO 59 Ca 0.00 0.29 -0.34 0.00 -0.04 0.00 0.00 63.50 63.41 1x4x n PRO 59 Cb 0.00 -1.57 0.13 0.00 -0.04 0.00 0.00 33.50 32.02 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 -2.60 0.00 0.55 0.00 -1.26 -4.91 105.19 96.94 1x4x n GLY 60 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.52 0.60 -3.79 0.99 4.77 -1.26 -4.88 117.00 112.91 1x4x n LEU 61 Ca 0.02 -0.71 -0.13 0.00 -0.03 0.00 0.00 56.01 55.17 1x4x n LEU 61 Cb 0.61 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.58 1x4x n LEU 61 CO 0.51 0.15 -0.09 -0.94 -1.33 0.00 0.00 177.39 175.68 1x4x s SER 62 N -0.21 -0.25 0.00 -1.43 1.04 -1.26 -1.94 113.70 109.64 1x4x s SER 62 Ca 0.00 0.48 -0.02 0.00 0.48 0.00 0.00 55.95 56.89 1x4x s SER 62 Cb 0.00 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 1x4x s SER 62 CO 0.00 -0.09 0.04 -0.47 0.98 0.00 0.00 173.24 173.69 1x4x s TYR 63 N 0.09 0.09 -0.26 5.02 5.04 -0.87 -5.03 117.35 121.44 1x4x s TYR 63 Ca -0.00 -0.18 -0.04 0.00 -2.44 0.00 0.00 57.07 54.41 1x4x s TYR 63 Cb -0.02 -0.08 0.01 0.00 0.35 0.00 0.00 41.96 42.23 1x4x s TYR 63 CO 0.00 -0.14 -0.01 -2.00 -1.34 0.00 0.00 175.55 172.07 1x4x s GLU 64 N -0.82 3.08 -0.19 4.97 2.12 -1.26 -0.73 118.70 125.87 1x4x s GLU 64 Ca -0.09 -0.83 -0.09 0.00 0.36 0.00 0.00 54.97 54.32 1x4x s GLU 64 Cb -0.05 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 1x4x s GLU 64 CO -0.00 -0.36 0.10 0.42 -0.54 0.00 0.00 175.26 174.89 1x4x s ILE 65 N 1.43 5.17 0.33 -3.70 1.01 0.70 -4.98 121.20 121.16 1x4x s ILE 65 Ca 0.03 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.81 1x4x s ILE 65 Cb -0.16 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1x4x s ILE 65 CO -0.02 0.45 0.11 -0.54 0.00 0.00 0.00 174.94 174.95 1x4x s LYS 66 N 0.35 1.68 0.00 2.79 1.02 -1.26 0.36 119.74 124.68 1x4x s LYS 66 Ca 0.06 -1.97 0.00 0.00 0.02 0.00 0.00 55.97 54.08 1x4x s LYS 66 Cb -0.12 -0.48 0.00 0.00 -0.52 0.00 0.00 37.83 36.71 1x4x s LYS 66 CO -0.01 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 1x4x n GLY 67 N -0.69 0.54 2.15 -3.33 0.00 -0.28 -4.99 105.19 98.60 1x4x n GLY 67 Ca -0.02 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 1x4x n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4x n LEU 68 N 0.00 0.00 -4.32 0.99 4.77 -0.83 -5.06 117.00 112.56 1x4x n LEU 68 Ca 0.00 -1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 54.63 1x4x n LEU 68 Cb 0.19 -0.42 -0.15 0.00 -2.33 0.00 0.00 43.42 40.71 1x4x n LEU 68 CO 0.00 -0.85 -0.56 -0.44 -1.33 0.00 0.00 177.39 174.22 1x4x s SER 69 N -3.39 2.97 0.57 -1.43 0.01 -1.26 -4.46 113.70 106.70 1x4x s SER 69 Ca 0.38 -0.56 -0.18 0.00 1.31 0.00 0.00 55.95 56.90 1x4x s SER 69 Cb -0.02 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 1x4x s SER 69 CO 0.26 0.24 1.12 -2.16 0.41 0.00 0.00 173.24 173.11 1x4x s PRO 70 N -1.15 3.24 -1.34 12.44 0.04 -1.08 -3.70 135.00 143.45 1x4x s PRO 70 Ca 0.10 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 1x4x s PRO 70 Cb -0.10 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1x4x s PRO 70 CO 0.02 -0.93 0.72 0.00 0.04 0.00 0.00 177.00 176.85 1x4x n ALA 71 N -1.54 -1.93 -2.80 8.56 0.00 -0.53 -4.84 120.51 117.42 1x4x n ALA 71 Ca 0.11 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 1x4x n ALA 71 Cb 0.51 -2.22 -0.14 0.00 0.00 0.00 0.00 19.45 17.60 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 -3.64 0.27 0.13 0.00 2.01 -1.24 -4.93 115.64 108.23 1x4x s THR 72 Ca 0.08 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.67 1x4x s THR 72 Cb -0.04 -0.24 -0.07 0.00 0.01 0.00 0.00 72.50 72.15 1x4x s THR 72 CO 0.82 0.05 0.68 -0.89 -0.69 0.00 0.00 174.62 174.59 1x4x s THR 73 N -0.15 4.54 0.15 -0.82 2.01 -1.26 -1.99 115.64 118.12 1x4x s THR 73 Ca 0.01 1.46 0.00 0.00 0.31 0.00 0.00 61.69 63.47 1x4x s THR 73 Cb -0.02 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1x4x s THR 73 CO -0.00 0.52 0.02 -0.31 -0.69 0.00 0.00 174.62 174.17 1x4x s TYR 74 N -1.15 1.02 0.00 4.92 2.02 0.46 -4.53 117.35 120.09 1x4x s TYR 74 Ca 0.33 -1.12 -0.02 0.00 -0.37 0.00 0.00 57.07 55.89 1x4x s TYR 74 Cb -0.21 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.76 1x4x s TYR 74 CO 0.23 -0.36 0.03 0.71 -1.57 0.00 0.00 175.55 174.59 1x4x s TYR 75 N -3.85 0.11 -0.03 2.71 1.51 -1.23 -1.51 117.35 115.07 1x4x s TYR 75 Ca 0.23 -0.23 -0.07 0.00 -1.01 0.00 0.00 57.07 56.00 1x4x s TYR 75 Cb 0.07 -0.09 0.01 0.00 -0.11 0.00 0.00 41.96 41.84 1x4x s TYR 75 CO 0.02 -0.15 0.16 0.00 -1.11 0.00 0.00 175.55 174.47 1x4x s ARG 77 N -0.63 0.18 0.16 0.00 1.70 -0.89 -2.90 118.95 116.56 1x4x s ARG 77 Ca -0.07 0.33 0.11 0.00 -0.47 0.00 0.00 55.73 55.63 1x4x s ARG 77 Cb -0.04 -0.01 -0.04 0.00 -0.57 0.00 0.00 34.95 34.28 1x4x s ARG 77 CO 0.01 -0.09 -0.24 0.54 -1.08 0.00 0.00 175.30 174.44 1x4x s VAL 78 N 0.58 2.40 0.04 4.99 0.11 -1.26 -1.56 120.40 125.69 1x4x s VAL 78 Ca -0.04 -1.84 -0.03 0.00 -2.93 0.00 0.00 61.98 57.13 1x4x s VAL 78 Cb -0.05 -2.11 -0.02 0.00 -1.53 0.00 0.00 36.38 32.67 1x4x s VAL 78 CO -0.03 -0.00 0.04 0.00 -3.33 0.00 0.00 175.10 171.78 1x4x s GLN 79 N -2.36 0.52 -0.25 1.54 -2.07 -1.20 -2.54 119.66 113.31 1x4x s GLN 79 Ca 0.18 -0.80 -0.08 0.00 -1.82 0.00 0.00 55.36 52.83 1x4x s GLN 79 Cb -0.09 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 1x4x s GLN 79 CO 0.08 -0.12 0.10 0.00 -1.32 0.00 0.00 175.29 174.04 1x4x s ALA 80 N -2.56 3.28 0.02 2.60 0.00 -1.26 -3.32 121.76 120.52 1x4x s ALA 80 Ca -0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 1x4x s ALA 80 Cb -0.02 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1x4x s ALA 80 CO -0.05 -0.42 0.22 -0.51 0.00 0.00 0.00 175.76 175.00 1x4x s LEU 81 N 1.50 4.36 0.00 0.00 1.02 -1.11 -1.93 118.68 122.52 1x4x s LEU 81 Ca 0.06 0.40 0.01 0.00 0.02 0.00 0.00 54.13 54.62 1x4x s LEU 81 Cb -0.15 -2.73 -0.01 0.00 0.02 0.00 0.00 46.19 43.32 1x4x s LEU 81 CO 0.05 0.23 0.05 -1.54 0.02 0.00 0.00 176.35 175.17 1x4x n SER 82 N 0.82 1.57 -0.02 2.29 3.41 -1.17 -0.85 113.62 119.67 1x4x n SER 82 Ca -0.09 -2.14 0.12 0.00 -0.26 0.00 0.00 58.87 56.50 1x4x n SER 82 Cb 0.52 0.44 0.26 0.00 -0.26 0.00 0.00 64.21 65.17 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 -0.53 0.00 -0.02 -3.33 0.24 -1.26 -3.87 118.33 109.56 1x4x n VAL 83 Ca -0.05 -0.01 0.05 0.00 -2.04 0.00 0.00 64.34 62.29 1x4x n VAL 83 Cb 0.32 0.27 -0.15 0.00 -1.47 0.00 0.00 33.84 32.81 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 -1.44 0.45 0.00 3.34 3.14 -1.26 -5.07 118.33 117.49 1x4x n VAL 84 Ca 0.06 -0.60 0.00 0.00 -2.96 0.00 0.00 64.34 60.84 1x4x n VAL 84 Cb 0.34 -0.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 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 1.38 -0.27 3.46 7.55 0.00 -1.25 -4.98 105.19 111.08 1x4x n GLY 85 Ca -0.11 0.45 -0.11 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 -1.49 0.33 4.61 0.00 -1.26 -3.02 121.76 119.93 1x4x s ALA 86 Ca 0.00 0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.38 1x4x s ALA 86 Cb 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 1x4x s ALA 86 CO 0.00 -0.79 0.28 0.20 0.00 0.00 0.00 175.76 175.45 1x4x s GLY 87 N -2.77 1.77 0.92 0.00 0.00 -0.81 -4.84 107.32 101.58 1x4x s GLY 87 Ca 0.02 -1.65 -0.12 0.00 0.00 0.00 0.00 44.72 42.98 1x4x s GLY 87 CO -0.11 -1.58 1.09 2.56 0.00 0.00 0.00 173.10 175.06 1x4x s PRO 88 N -3.98 1.06 0.01 2.90 0.04 -1.26 -4.66 135.00 129.11 1x4x s PRO 88 Ca 0.40 0.75 -0.26 0.00 0.04 0.00 0.00 61.00 61.94 1x4x s PRO 88 Cb -0.06 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1x4x s PRO 88 CO 0.26 -2.36 0.79 -0.06 0.04 0.00 0.00 177.00 175.68 1x4x s PHE 89 N -2.94 3.69 1.33 0.56 0.08 -1.26 -4.35 117.98 115.08 1x4x s PHE 89 Ca 0.64 1.47 -0.18 0.00 0.12 0.00 0.00 56.93 58.97 1x4x s PHE 89 Cb -0.18 -2.88 0.33 0.00 -0.57 0.00 0.00 43.02 39.73 1x4x s PHE 89 CO 0.57 0.18 0.90 -1.13 -0.10 0.00 0.00 175.22 175.64 1x4x n SER 90 N 3.23 -2.99 -4.63 1.36 3.41 -1.05 -4.86 113.62 108.09 1x4x n SER 90 Ca -0.01 -0.52 -0.43 0.00 -0.26 0.00 0.00 58.87 57.66 1x4x n SER 90 Cb 0.51 -1.12 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 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 3.79 -0.23 4.33 2.02 -1.26 -4.83 118.70 117.88 1x4x s GLU 91 Ca 0.67 1.72 -0.42 0.00 0.02 0.00 0.00 54.97 56.97 1x4x s GLU 91 Cb -0.19 -4.05 -0.18 0.00 0.10 0.00 0.00 34.13 29.81 1x4x s GLU 91 CO 0.61 -1.30 1.51 0.28 0.02 0.00 0.00 175.26 176.38 1x4x n VAL 92 N 6.40 0.11 -3.56 2.63 0.31 -1.26 -4.64 118.33 118.33 1x4x n VAL 92 Ca 0.19 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 64.09 1x4x n VAL 92 Cb 0.45 -0.73 -0.09 0.00 -0.91 0.00 0.00 33.84 32.56 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 2.22 4.42 0.55 2.52 1.01 -1.14 -4.98 120.40 124.99 1x4x s VAL 93 Ca 0.97 -1.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 1x4x s VAL 93 Cb -1.21 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 31.40 1x4x s VAL 93 CO 0.66 -0.55 1.07 0.00 0.00 0.00 0.00 175.10 176.27 1x4x s ALA 94 N 1.46 2.77 -0.24 5.51 0.00 -1.26 -3.48 121.76 126.51 1x4x s ALA 94 Ca 0.03 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.42 1x4x s ALA 94 Cb -0.24 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.69 1x4x s ALA 94 CO 0.03 -0.64 0.60 0.00 0.00 0.00 0.00 175.76 175.75 1x4x s VAL 96 N 1.48 3.12 0.49 0.00 1.01 -1.26 -0.40 120.40 124.83 1x4x s VAL 96 Ca -0.09 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 1x4x s VAL 96 Cb -0.06 -2.36 -0.08 0.00 0.00 0.00 0.00 36.38 33.88 1x4x s VAL 96 CO -0.16 0.49 1.03 0.42 0.00 0.00 0.00 175.10 176.88 1x4x s THR 97 N 0.83 3.86 0.53 3.92 -4.23 -0.84 -4.91 115.64 114.79 1x4x s THR 97 Ca -0.03 1.13 -0.20 0.00 -1.18 0.00 0.00 61.69 61.41 1x4x s THR 97 Cb -0.15 -3.46 -0.06 0.00 1.34 0.00 0.00 72.50 70.17 1x4x s THR 97 CO 0.01 -0.27 1.14 -2.16 -0.54 0.00 0.00 174.62 172.79 1x4x s PRO 98 N -3.30 3.44 0.24 3.99 0.04 -1.26 -1.46 135.00 136.70 1x4x s PRO 98 Ca 0.66 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 1x4x s PRO 98 Cb -0.16 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 1x4x s PRO 98 CO 0.21 -0.78 1.27 -1.25 0.04 0.00 0.00 177.00 176.48 1x4x s PRO 99 N -3.17 4.42 -0.47 0.56 0.04 -1.26 -2.63 135.00 132.49 1x4x s PRO 99 Ca 0.71 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.62 1x4x s PRO 99 Cb -0.25 -3.16 0.05 0.00 0.04 0.00 0.00 34.50 31.18 1x4x s PRO 99 CO 0.28 -0.16 0.54 0.45 0.04 0.00 0.00 177.00 178.15 1x4x s SER 100 N -0.06 6.21 -0.22 6.66 0.15 -1.26 -4.91 113.70 120.27 1x4x s SER 100 Ca 0.53 -0.86 -0.27 0.00 0.70 0.00 0.00 55.95 56.05 1x4x s SER 100 Cb -0.36 -2.26 0.09 0.00 -1.71 0.00 0.00 66.02 61.78 1x4x s SER 100 CO 0.42 -0.76 0.83 -0.55 1.20 0.00 0.00 173.24 174.39 1x4x s SER 101 N 2.37 -0.60 0.01 5.45 0.15 -1.26 -5.10 113.70 114.72 1x4x s SER 101 Ca 0.13 1.02 -0.05 0.00 0.70 0.00 0.00 55.95 57.75 1x4x s SER 101 Cb -0.19 0.98 -0.05 0.00 -1.71 0.00 0.00 66.02 65.05 1x4x s SER 101 CO 0.12 -0.31 0.24 -0.83 1.20 0.00 0.00 173.24 173.67 1x4x s GLY 102 N -0.16 2.22 -0.02 9.45 0.00 -1.26 -5.03 107.32 112.52 1x4x s GLY 102 Ca -0.02 -0.65 -0.26 0.00 0.00 0.00 0.00 44.72 43.80 1x4x s GLY 102 CO 0.01 -0.51 1.24 -0.56 0.00 0.00 0.00 173.10 173.28 1x4x h PRO 103 N 3.79 -0.04 -5.75 2.90 0.13 -2.04 -3.45 132.00 127.54 1x4x h PRO 103 Ca -0.49 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.00 1x4x h PRO 103 Cb 1.19 0.01 0.11 0.00 0.13 0.00 0.00 31.00 32.43 1x4x h PRO 103 CO 0.68 0.43 -0.50 -1.13 -0.23 0.00 0.00 178.00 177.25 1x4x n SER 104 N -4.88 -1.19 -3.39 1.44 3.41 -1.26 -4.97 113.62 102.78 1x4x n SER 104 Ca -0.08 1.08 0.02 0.00 -0.26 0.00 0.00 58.87 59.63 1x4x n SER 104 Cb 0.25 -0.91 -0.04 0.00 -0.26 0.00 0.00 64.21 63.25 1x4x n SER 104 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x4x s SER 105 N -0.95 -0.69 0.00 4.04 1.04 -1.26 -5.24 113.70 110.64 1x4x s SER 105 Ca 0.62 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1x4x s SER 105 Cb -0.89 1.74 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1x4x s SER 105 CO 0.54 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.24