#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9x n SER 2 N 0.00 0.14 -4.07 3.17 3.41 -1.26 -5.13 113.62 109.88 1y9x n SER 2 Ca 0.00 0.06 -0.10 0.00 -0.26 0.00 0.00 58.87 58.56 1y9x n SER 2 Cb 0.00 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 1y9x n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1y9x s SER 3 N -5.14 0.07 0.00 4.04 0.01 -1.26 -5.08 113.70 106.35 1y9x s SER 3 Ca 0.00 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.17 1y9x s SER 3 Cb 0.00 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1y9x s SER 3 CO 0.00 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.34 1y9x n GLY 4 N -0.26 -1.47 3.62 3.44 0.00 -1.26 -5.16 105.19 104.10 1y9x n GLY 4 Ca -0.03 0.51 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 1y9x n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y9x s THR 5 N 0.00 4.37 -0.62 2.61 -4.23 -1.26 -4.98 115.64 111.53 1y9x s THR 5 Ca 0.00 -0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.32 1y9x s THR 5 Cb 0.00 -2.90 0.11 0.00 1.34 0.00 0.00 72.50 71.04 1y9x s THR 5 CO 0.00 0.53 0.83 -0.81 -0.54 0.00 0.00 174.62 174.63 1y9x n PRO 6 N 2.97 1.43 -4.18 3.99 -0.05 -1.26 -4.80 135.00 133.10 1y9x n PRO 6 Ca -0.18 -0.44 -0.28 0.00 -0.05 0.00 0.00 63.50 62.55 1y9x n PRO 6 Cb 0.53 -1.46 -0.08 0.00 -0.05 0.00 0.00 33.50 32.44 1y9x n PRO 6 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 1y9x s THR 7 N -0.99 3.80 1.01 0.52 -4.23 -1.26 -5.12 115.64 109.37 1y9x s THR 7 Ca 0.08 -1.23 -0.12 0.00 -1.18 0.00 0.00 61.69 59.23 1y9x s THR 7 Cb 0.06 -2.85 0.20 0.00 1.34 0.00 0.00 72.50 71.24 1y9x s THR 7 CO 0.02 0.01 1.09 -2.84 -0.54 0.00 0.00 174.62 172.36 1y9x s PRO 8 N -2.60 0.32 -1.23 3.99 0.02 -1.26 -4.91 135.00 129.33 1y9x s PRO 8 Ca 0.26 0.54 -0.18 0.00 0.02 0.00 0.00 61.00 61.64 1y9x s PRO 8 Cb -0.10 -1.72 0.08 0.00 0.02 0.00 0.00 34.50 32.78 1y9x s PRO 8 CO 0.18 -2.81 1.63 -1.54 -0.33 0.00 0.00 177.00 174.13 1y9x s SER 9 N -3.38 6.81 -0.02 2.53 1.04 -1.26 -4.50 113.70 114.92 1y9x s SER 9 Ca 0.66 -2.36 0.03 0.00 0.48 0.00 0.00 55.95 54.75 1y9x s SER 9 Cb -0.19 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.42 1y9x s SER 9 CO 0.58 -1.16 0.99 -0.46 0.98 0.00 0.00 173.24 174.17 1y9x n ASN 10 N 8.04 1.92 -4.21 7.02 6.94 -1.26 -4.96 115.26 128.74 1y9x n ASN 10 Ca 0.44 -2.10 -0.34 0.00 -0.02 0.00 0.00 54.58 52.56 1y9x n ASN 10 Cb 0.46 -0.06 -0.15 0.00 -2.36 0.00 0.00 39.78 37.67 1y9x n ASN 10 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1y9x s VAL 11 N -1.20 2.70 0.07 3.53 1.01 -1.25 -0.56 120.40 124.70 1y9x s VAL 11 Ca 0.05 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1y9x s VAL 11 Cb 0.04 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1y9x s VAL 11 CO 0.00 0.46 -0.13 0.68 0.00 0.00 0.00 175.10 176.11 1y9x s VAL 12 N 1.38 3.16 -0.11 2.92 -7.23 -0.51 -5.00 120.40 115.00 1y9x s VAL 12 Ca 0.05 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1y9x s VAL 12 Cb -0.14 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1y9x s VAL 12 CO -0.08 0.21 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.63 1y9x s LEU 13 N -1.88 3.10 0.17 1.32 2.96 -1.26 -0.70 118.68 122.40 1y9x s LEU 13 Ca 0.18 -0.12 -0.28 0.00 -0.22 0.00 0.00 54.13 53.69 1y9x s LEU 13 Cb -0.11 -1.70 -0.08 0.00 0.50 0.00 0.00 46.19 44.80 1y9x s LEU 13 CO 0.10 0.26 0.89 -0.63 -1.32 0.00 0.00 176.35 175.65 1y9x s ILE 14 N -0.21 4.33 0.00 6.68 -1.09 -0.83 -4.99 121.20 125.09 1y9x s ILE 14 Ca 0.03 1.94 0.00 0.00 -2.23 0.00 0.00 60.65 60.39 1y9x s ILE 14 Cb -0.13 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 1y9x s ILE 14 CO 0.03 0.44 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 1y9x n GLY 15 N 1.81 4.97 1.67 6.18 0.00 -1.26 -4.70 105.19 113.87 1y9x n GLY 15 Ca -0.02 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 44.96 1y9x n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y9x n LYS 16 N 0.00 4.32 -3.70 1.61 5.02 -1.26 -4.98 118.16 119.18 1y9x n LYS 16 Ca 0.00 -3.04 -0.27 0.00 -2.02 0.00 0.00 58.31 52.98 1y9x n LYS 16 Cb 0.00 -2.10 -0.03 0.00 -0.02 0.00 0.00 35.03 32.88 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1y9x s LYS 17 N -2.48 3.52 0.56 1.97 1.02 -1.26 -5.06 119.74 118.00 1y9x s LYS 17 Ca 0.52 -0.35 -0.20 0.00 0.02 0.00 0.00 55.97 55.96 1y9x s LYS 17 Cb 0.38 -2.84 -0.06 0.00 -0.52 0.00 0.00 37.83 34.79 1y9x s LYS 17 CO 0.18 0.40 1.03 -2.30 -0.92 0.00 0.00 175.35 173.74 1y9x n PRO 18 N -0.68 1.09 -0.22 -1.68 -0.02 -1.26 -4.90 135.00 127.33 1y9x n PRO 18 Ca -0.05 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 1y9x n PRO 18 Cb 0.54 -2.21 0.41 0.00 -0.02 0.00 0.00 33.50 32.22 1y9x n PRO 18 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1y9x h VAL 19 N 0.80 0.85 -0.03 -1.45 3.04 -1.97 -1.71 116.25 115.78 1y9x h VAL 19 Ca -0.48 -0.21 0.01 0.00 -1.01 0.00 0.00 66.70 65.01 1y9x h VAL 19 Cb 1.35 0.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.81 1y9x h VAL 19 CO 0.53 0.11 0.04 0.00 -1.01 0.00 0.00 177.57 177.24 1y9x h MET 20 N 0.62 0.00 -0.60 4.17 -0.00 -1.99 -0.73 114.93 116.40 1y9x h MET 20 Ca 0.40 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 60.03 1y9x h MET 20 Cb 0.69 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.26 1y9x h MET 20 CO -0.16 0.00 0.09 -0.97 -0.00 0.00 0.00 176.91 175.87 1y9x h ASN 21 N 0.00 0.93 0.55 -0.10 -1.24 -1.67 -1.55 115.58 112.50 1y9x h ASN 21 Ca 0.02 -0.21 -0.29 0.00 0.71 0.00 0.00 56.30 56.53 1y9x h ASN 21 Cb 0.10 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 1y9x h ASN 21 CO -0.00 0.94 -1.50 1.88 -1.29 0.00 0.00 177.43 177.46 1y9x h TYR 22 N 0.92 0.25 0.45 0.67 0.05 -1.31 -3.05 116.97 114.95 1y9x h TYR 22 Ca 0.19 -0.18 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1y9x h TYR 22 Cb 0.41 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.15 1y9x h TYR 22 CO 0.03 1.23 -0.22 0.28 -1.05 0.00 0.00 178.16 178.43 1y9x h VAL 23 N 0.04 0.55 0.00 -2.88 2.07 -1.24 -1.98 116.25 112.81 1y9x h VAL 23 Ca -0.22 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1y9x h VAL 23 Cb 1.97 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1y9x h VAL 23 CO 0.13 0.03 -0.07 -0.07 0.02 0.00 0.00 177.57 177.62 1y9x h LEU 24 N -0.72 0.00 -0.20 2.57 4.07 -1.41 -1.87 115.31 117.75 1y9x h LEU 24 Ca -0.06 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.84 1y9x h LEU 24 Cb 0.52 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 1y9x h LEU 24 CO 0.10 0.07 -0.11 0.00 -1.08 0.00 0.00 178.44 177.41 1y9x h ALA 25 N 1.93 0.28 -0.69 1.53 0.00 -1.38 -2.53 119.26 118.41 1y9x h ALA 25 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1y9x h ALA 25 Cb 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1y9x h ALA 25 CO 0.01 0.13 0.38 0.00 0.00 0.00 0.00 179.25 179.76 1y9x h ALA 26 N 0.68 0.88 -0.74 0.00 0.00 -0.58 -0.50 119.26 119.00 1y9x h ALA 26 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1y9x h ALA 26 Cb 0.61 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1y9x h ALA 26 CO 0.03 0.39 0.37 -0.07 0.00 0.00 0.00 179.25 179.98 1y9x h LEU 27 N 0.94 0.94 -0.63 0.00 4.07 -1.51 -2.17 115.31 116.94 1y9x h LEU 27 Ca 0.24 -0.09 -0.12 0.00 0.08 0.00 0.00 57.88 57.99 1y9x h LEU 27 Cb 0.04 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 1y9x h LEU 27 CO -0.04 0.78 -0.26 0.74 -1.08 0.00 0.00 178.44 178.58 1y9x h THR 28 N 1.04 1.27 -0.40 0.22 2.02 -0.94 -2.95 112.91 113.17 1y9x h THR 28 Ca 0.26 -1.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 1y9x h THR 28 Cb 0.07 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1y9x h THR 28 CO -0.04 0.46 0.08 -0.07 0.37 0.00 0.00 175.52 176.33 1y9x h LEU 29 N 0.69 0.56 -0.85 2.58 3.38 -0.59 -2.27 115.31 118.81 1y9x h LEU 29 Ca 0.09 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1y9x h LEU 29 Cb 0.78 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 1y9x h LEU 29 CO 0.06 0.57 0.53 -0.07 0.09 0.00 0.00 178.44 179.62 1y9x h LEU 30 N 0.59 0.85 -0.90 1.67 3.38 -1.23 -0.37 115.31 119.29 1y9x h LEU 30 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1y9x h LEU 30 Cb 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1y9x h LEU 30 CO -0.00 0.55 0.00 0.78 0.09 0.00 0.00 178.44 179.86 1y9x h ASN 31 N 0.98 0.00 -0.10 -0.43 4.21 -1.43 -1.86 115.58 116.95 1y9x h ASN 31 Ca 0.36 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.87 1y9x h ASN 31 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1y9x h ASN 31 CO -0.16 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 175.98 1y9x n GLN 32 N -2.60 1.82 -0.04 0.81 6.02 -0.29 -4.90 117.38 118.21 1y9x n GLN 32 Ca 0.02 -1.21 0.00 0.00 -0.01 0.00 0.00 57.00 55.80 1y9x n GLN 32 Cb 0.29 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1y9x n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y9x n GLY 33 N 1.20 0.41 3.46 1.08 0.00 -0.70 -5.01 105.19 105.63 1y9x n GLY 33 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1y9x n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y9x s VAL 34 N -2.11 4.60 -0.84 1.61 1.01 -0.39 -4.76 120.40 119.53 1y9x s VAL 34 Ca 0.00 -1.31 0.24 0.00 0.00 0.00 0.00 61.98 60.91 1y9x s VAL 34 Cb 0.00 -4.78 -0.00 0.00 0.00 0.00 0.00 36.38 31.59 1y9x s VAL 34 CO 0.00 -1.53 1.32 -0.24 0.00 0.00 0.00 175.10 174.65 1y9x n SER 35 N 6.92 0.58 -3.98 3.32 2.88 -1.26 -3.09 113.62 119.00 1y9x n SER 35 Ca 0.20 -0.14 -0.31 0.00 -1.33 0.00 0.00 58.87 57.29 1y9x n SER 35 Cb 0.49 0.31 -0.16 0.00 -0.75 0.00 0.00 64.21 64.10 1y9x n SER 35 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1y9x s GLU 36 N -3.08 1.85 0.18 -1.46 2.12 -1.26 0.00 118.70 117.05 1y9x s GLU 36 Ca 0.08 -0.96 0.08 0.00 0.36 0.00 0.00 54.97 54.53 1y9x s GLU 36 Cb 0.16 -2.54 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 1y9x s GLU 36 CO 0.72 -0.52 -0.17 0.96 -0.54 0.00 0.00 175.26 175.71 1y9x s ILE 37 N 1.37 1.76 -0.10 -3.70 -0.00 -1.11 -4.95 121.20 114.46 1y9x s ILE 37 Ca -0.04 -2.00 0.02 0.00 -0.00 0.00 0.00 60.65 58.62 1y9x s ILE 37 Cb -0.18 -1.89 0.02 0.00 -0.00 0.00 0.00 42.46 40.41 1y9x s ILE 37 CO -0.07 -0.42 -0.14 -0.69 -0.00 0.00 0.00 174.94 173.62 1y9x s VAL 38 N -2.37 1.38 -0.17 8.37 1.01 0.27 -2.45 120.40 126.45 1y9x s VAL 38 Ca 0.17 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1y9x s VAL 38 Cb -0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1y9x s VAL 38 CO 0.06 0.42 -0.01 -0.63 0.00 0.00 0.00 175.10 174.94 1y9x s ILE 39 N 1.02 4.10 -0.16 2.22 1.01 0.60 -1.43 121.20 128.57 1y9x s ILE 39 Ca -0.06 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1y9x s ILE 39 Cb -0.15 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.52 1y9x s ILE 39 CO -0.02 0.48 -0.19 -0.54 0.00 0.00 0.00 174.94 174.67 1y9x s LYS 40 N 0.42 3.08 0.17 2.79 1.02 0.13 -1.00 119.74 126.34 1y9x s LYS 40 Ca -0.02 -0.81 0.11 0.00 0.02 0.00 0.00 55.97 55.26 1y9x s LYS 40 Cb -0.14 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1y9x s LYS 40 CO 0.02 -0.07 -0.24 0.00 -0.92 0.00 0.00 175.35 174.15 1y9x s ALA 41 N 0.97 2.38 -0.00 5.17 0.00 -0.81 -1.96 121.76 127.50 1y9x s ALA 41 Ca -0.03 -1.56 0.04 0.00 0.00 0.00 0.00 51.96 50.42 1y9x s ALA 41 Cb -0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1y9x s ALA 41 CO -0.04 0.43 -0.14 0.50 0.00 0.00 0.00 175.76 176.50 1y9x s ARG 42 N -2.49 1.08 5.52 0.00 3.52 -1.26 -1.41 118.95 123.90 1y9x s ARG 42 Ca 0.18 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 1y9x s ARG 42 Cb -0.08 -1.05 0.00 0.00 -1.56 0.00 0.00 34.95 32.26 1y9x s ARG 42 CO 0.08 0.28 0.00 0.41 -0.81 0.00 0.00 175.30 175.27 1y9x n GLY 43 N 2.60 1.10 0.16 8.12 0.00 0.80 -2.77 105.19 115.21 1y9x n GLY 43 Ca -0.15 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.33 1y9x n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y9x n ARG 44 N 12.53 1.22 0.00 1.61 1.74 -1.26 -3.41 116.66 129.08 1y9x n ARG 44 Ca 0.00 -0.32 0.15 0.00 -0.77 0.00 0.00 57.85 56.91 1y9x n ARG 44 Cb 0.00 -1.39 0.89 0.00 -1.02 0.00 0.00 32.46 30.94 1y9x n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y9x n ALA 45 N -0.52 2.67 -0.22 7.54 0.00 -1.12 -3.31 120.51 125.55 1y9x n ALA 45 Ca 0.18 -0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1y9x n ALA 45 Cb 0.16 -1.49 0.32 0.00 0.00 0.00 0.00 19.45 18.45 1y9x n ALA 45 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1y9x h ILE 46 N 0.00 1.02 -0.68 0.00 2.04 -1.78 -0.84 117.51 117.28 1y9x h ILE 46 Ca 0.00 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1y9x h ILE 46 Cb 0.00 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 1y9x h ILE 46 CO 0.00 0.15 0.35 0.77 0.00 0.00 0.00 178.15 179.42 1y9x h SER 47 N 0.83 0.84 -0.38 1.72 4.64 -1.88 -2.52 113.55 116.80 1y9x h SER 47 Ca 0.34 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.50 1y9x h SER 47 Cb 0.27 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1y9x h SER 47 CO -0.12 0.69 -0.11 0.50 -0.87 0.00 0.00 176.83 176.92 1y9x h LYS 48 N 0.95 0.74 -0.36 4.77 1.63 -1.40 -2.45 116.57 120.44 1y9x h LYS 48 Ca 0.24 -0.29 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1y9x h LYS 48 Cb 0.05 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 1y9x h LYS 48 CO -0.04 0.89 0.11 0.00 -3.45 0.00 0.00 179.45 176.97 1y9x h ALA 49 N 0.82 0.47 -0.22 5.00 0.00 -1.01 -0.97 119.26 123.35 1y9x h ALA 49 Ca 0.09 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1y9x h ALA 49 Cb 0.63 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1y9x h ALA 49 CO 0.04 0.11 -0.51 -0.24 0.00 0.00 0.00 179.25 178.65 1y9x h VAL 50 N 0.43 1.31 -0.26 0.00 3.04 -1.49 -2.42 116.25 116.86 1y9x h VAL 50 Ca 0.12 -1.73 0.01 0.00 -1.01 0.00 0.00 66.70 64.08 1y9x h VAL 50 Cb 0.25 1.69 -0.02 0.00 -2.01 0.00 0.00 31.29 31.21 1y9x h VAL 50 CO -0.00 0.54 0.15 -0.78 -1.01 0.00 0.00 177.57 176.48 1y9x h ASP 51 N 0.48 0.26 -0.09 3.17 3.58 -1.28 -0.20 116.42 122.34 1y9x h ASP 51 Ca 0.02 -0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.51 1y9x h ASP 51 Cb 1.06 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 42.00 1y9x h ASP 51 CO 0.10 0.19 -0.24 0.74 -2.88 0.00 0.00 179.24 177.15 1y9x h THR 52 N 0.32 0.43 -0.04 2.25 2.02 -1.01 -1.69 112.91 115.19 1y9x h THR 52 Ca 0.10 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.17 1y9x h THR 52 Cb -0.01 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1y9x h THR 52 CO -0.04 0.00 -0.49 -0.37 0.37 0.00 0.00 175.52 174.99 1y9x h VAL 53 N -0.33 1.35 -0.10 3.16 -1.51 -1.21 -2.41 116.25 115.20 1y9x h VAL 53 Ca 0.09 -1.70 -0.10 0.00 -1.23 0.00 0.00 66.70 63.76 1y9x h VAL 53 Cb 0.45 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 1y9x h VAL 53 CO -0.28 0.49 -0.39 -0.08 -1.23 0.00 0.00 177.57 176.08 1y9x h GLU 54 N 0.09 0.22 -0.33 5.19 4.81 -0.58 -0.52 114.58 123.46 1y9x h GLU 54 Ca 0.00 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1y9x h GLU 54 Cb 0.90 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1y9x h GLU 54 CO 0.07 0.58 -0.19 0.82 -0.73 0.00 0.00 179.01 179.56 1y9x h ILE 55 N 0.18 1.29 -0.04 2.32 2.04 -0.97 -3.06 117.51 119.27 1y9x h ILE 55 Ca 0.02 -1.32 -0.10 0.00 1.00 0.00 0.00 64.86 64.46 1y9x h ILE 55 Cb 0.78 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1y9x h ILE 55 CO 0.06 0.43 -0.45 0.58 0.00 0.00 0.00 178.15 178.77 1y9x h VAL 56 N 0.48 1.32 -0.30 1.67 2.07 -1.03 0.65 116.25 121.13 1y9x h VAL 56 Ca 0.07 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1y9x h VAL 56 Cb 0.74 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1y9x h VAL 56 CO 0.05 0.46 0.00 -2.11 0.02 0.00 0.00 177.57 175.99 1y9x n ARG 57 N -4.00 2.26 0.06 1.57 1.85 -0.24 -3.60 116.66 114.55 1y9x n ARG 57 Ca -0.02 -1.30 0.00 0.00 -1.00 0.00 0.00 57.85 55.53 1y9x n ARG 57 Cb 0.48 -1.55 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 1y9x n ARG 57 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1y9x n ASN 58 N 0.38 0.33 0.14 2.89 5.15 -0.83 -3.76 115.26 119.56 1y9x n ASN 58 Ca 0.12 0.18 -0.00 0.00 -0.60 0.00 0.00 54.58 54.27 1y9x n ASN 58 Cb 0.48 -0.00 0.17 0.00 -0.53 0.00 0.00 39.78 39.89 1y9x n ASN 58 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1y9x h ARG 59 N 0.00 0.00 0.00 1.20 0.11 -1.07 -3.37 114.38 111.25 1y9x h ARG 59 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y9x h ARG 59 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1y9x h ARG 59 CO 0.00 0.61 -0.61 0.34 0.10 0.00 0.00 179.97 180.41 1y9x n PHE 60 N -3.69 0.13 -3.54 4.08 7.35 -1.24 -4.96 117.46 115.59 1y9x n PHE 60 Ca -0.01 0.06 -0.21 0.00 -0.76 0.00 0.00 57.45 56.53 1y9x n PHE 60 Cb 0.63 -0.39 -0.14 0.00 0.35 0.00 0.00 39.48 39.92 1y9x n PHE 60 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1y9x s LEU 61 N -6.99 0.03 -0.18 -2.13 1.43 -1.24 -5.01 118.68 104.59 1y9x s LEU 61 Ca -0.18 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 1y9x s LEU 61 Cb 0.02 0.19 -0.21 0.00 0.03 0.00 0.00 46.19 46.22 1y9x s LEU 61 CO 0.26 -0.33 0.24 0.00 0.23 0.00 0.00 176.35 176.75 1y9x n ALA 62 N 5.31 0.83 0.11 4.21 0.00 -1.25 -4.20 120.51 125.52 1y9x n ALA 62 Ca -0.06 -0.54 -0.03 0.00 0.00 0.00 0.00 53.44 52.81 1y9x n ALA 62 Cb 0.49 -0.58 0.05 0.00 0.00 0.00 0.00 19.45 19.42 1y9x n ALA 62 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1y9x h ASP 63 N -0.64 0.00 -3.49 0.00 3.32 -1.94 -3.40 116.42 110.26 1y9x h ASP 63 Ca -0.39 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 55.93 1y9x h ASP 63 Cb 1.56 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.81 1y9x h ASP 63 CO -0.12 0.76 -0.32 -0.54 -1.72 0.00 0.00 179.24 177.29 1y9x s LYS 64 N -3.20 2.64 -0.19 3.56 -0.14 -1.26 -5.00 119.74 116.14 1y9x s LYS 64 Ca -0.00 -1.98 -0.27 0.00 -1.36 0.00 0.00 55.97 52.36 1y9x s LYS 64 Cb 0.11 -3.97 0.08 0.00 -1.68 0.00 0.00 37.83 32.37 1y9x s LYS 64 CO 0.78 -1.21 0.74 -1.50 -0.76 0.00 0.00 175.35 173.41 1y9x s ILE 65 N 0.98 0.00 0.01 2.17 1.10 -1.26 -4.72 121.20 119.48 1y9x s ILE 65 Ca 0.09 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.30 1y9x s ILE 65 Cb -0.23 -1.00 -0.02 0.00 0.15 0.00 0.00 42.46 41.36 1y9x s ILE 65 CO -0.02 0.00 -0.23 -0.70 -2.11 0.00 0.00 174.94 171.88 1y9x s GLU 66 N -0.21 1.73 -0.18 3.50 2.56 0.21 -5.03 118.70 121.28 1y9x s GLU 66 Ca -0.03 -0.88 -0.03 0.00 0.00 0.00 0.00 54.97 54.03 1y9x s GLU 66 Cb -0.03 -1.74 -0.02 0.00 2.00 0.00 0.00 34.13 34.34 1y9x s GLU 66 CO 0.03 0.47 -0.06 0.42 -0.56 0.00 0.00 175.26 175.56 1y9x s ILE 67 N -0.63 3.49 -0.09 -3.70 1.01 -1.26 -1.04 121.20 118.97 1y9x s ILE 67 Ca 0.09 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 1y9x s ILE 67 Cb -0.09 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 1y9x s ILE 67 CO 0.00 0.47 -0.08 0.11 0.00 0.00 0.00 174.94 175.44 1y9x h LYS 68 N 7.32 0.00 -1.64 2.79 1.57 -1.81 -3.48 116.57 121.32 1y9x h LYS 68 Ca -0.34 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.49 1y9x h LYS 68 Cb 1.18 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.27 1y9x h LYS 68 CO 0.60 0.00 0.48 -2.00 -0.57 0.00 0.00 179.45 177.96 1y9x s GLU 69 N -1.72 0.66 -0.29 3.15 2.56 -1.15 -5.07 118.70 116.84 1y9x s GLU 69 Ca -0.07 0.20 -0.04 0.00 0.00 0.00 0.00 54.97 55.07 1y9x s GLU 69 Cb 0.01 0.31 0.10 0.00 2.00 0.00 0.00 34.13 36.55 1y9x s GLU 69 CO 0.10 -0.20 0.13 0.42 -0.56 0.00 0.00 175.26 175.15 1y9x s ILE 70 N -1.02 0.04 -0.04 -3.70 1.01 -1.26 -2.09 121.20 114.13 1y9x s ILE 70 Ca -0.03 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.82 1y9x s ILE 70 Cb -0.01 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 1y9x s ILE 70 CO 0.02 -0.73 -0.21 -0.13 0.00 0.00 0.00 174.94 173.89 1y9x s ARG 71 N 2.01 2.02 -0.17 2.79 0.52 -0.72 -5.01 118.95 120.40 1y9x s ARG 71 Ca 0.09 -0.76 -0.08 0.00 -0.52 0.00 0.00 55.73 54.47 1y9x s ARG 71 Cb -0.16 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 1y9x s ARG 71 CO -0.35 0.36 0.09 0.08 0.02 0.00 0.00 175.30 175.51 1y9x s VAL 72 N -0.20 5.07 0.19 3.52 1.01 -1.26 -0.51 120.40 128.22 1y9x s VAL 72 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 1y9x s VAL 72 Cb -0.11 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1y9x s VAL 72 CO 0.02 0.50 0.29 -0.83 0.00 0.00 0.00 175.10 175.08 1y9x s GLY 73 N -0.00 0.70 -0.06 4.51 0.00 0.22 -5.00 107.32 107.68 1y9x s GLY 73 Ca 0.08 -1.06 -0.15 0.00 0.00 0.00 0.00 44.72 43.58 1y9x s GLY 73 CO 0.00 -0.92 0.39 -1.35 0.00 0.00 0.00 173.10 171.22 1y9x s SER 74 N -3.02 6.69 -0.35 1.64 1.04 -1.26 -0.52 113.70 117.91 1y9x s SER 74 Ca 0.23 0.82 -0.13 0.00 0.48 0.00 0.00 55.95 57.35 1y9x s SER 74 Cb 0.03 -2.24 -0.01 0.00 0.10 0.00 0.00 66.02 63.91 1y9x s SER 74 CO 0.05 0.22 0.24 -1.58 0.98 0.00 0.00 173.24 173.14 1y9x s GLN 75 N -0.40 3.36 -0.45 4.02 0.74 0.14 -4.89 119.66 122.16 1y9x s GLN 75 Ca 0.22 -0.74 -0.18 0.00 0.05 0.00 0.00 55.36 54.72 1y9x s GLN 75 Cb -0.15 -3.82 0.04 0.00 1.10 0.00 0.00 33.01 30.17 1y9x s GLN 75 CO 0.10 -0.51 0.51 0.08 -0.55 0.00 0.00 175.29 174.92 1y9x s VAL 76 N 1.70 5.02 0.31 1.34 1.01 -1.26 -0.58 120.40 127.93 1y9x s VAL 76 Ca 0.06 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1y9x s VAL 76 Cb -0.18 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 1y9x s VAL 76 CO 0.10 -0.57 -0.05 0.68 0.00 0.00 0.00 175.10 175.26 1y9x s VAL 77 N 2.29 1.73 -0.05 2.92 -7.23 0.33 -4.93 120.40 115.46 1y9x s VAL 77 Ca 0.13 -2.12 -0.21 0.00 -1.81 0.00 0.00 61.98 57.97 1y9x s VAL 77 Cb -0.18 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 1y9x s VAL 77 CO 0.13 -0.23 0.62 0.42 -0.31 0.00 0.00 175.10 175.73 1y9x s THR 78 N -2.95 5.02 0.02 5.32 -4.23 -1.26 0.39 115.64 117.95 1y9x s THR 78 Ca 0.31 1.28 0.09 0.00 -1.18 0.00 0.00 61.69 62.20 1y9x s THR 78 Cb 0.05 -3.96 -0.23 0.00 1.34 0.00 0.00 72.50 69.70 1y9x s THR 78 CO 0.14 0.32 0.89 -1.28 -0.54 0.00 0.00 174.62 174.15 1y9x h SER 79 N 6.35 0.03 0.00 3.99 0.87 -1.15 -3.47 113.55 120.18 1y9x h SER 79 Ca -0.42 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1y9x h SER 79 Cb 1.19 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1y9x h SER 79 CO 0.73 1.04 0.00 0.00 -0.53 0.00 0.00 176.83 178.08 1y9x n GLN 80 N -3.19 0.00 0.00 2.24 6.02 -1.26 -5.05 117.38 116.14 1y9x n GLN 80 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 1y9x n GLN 80 Cb 1.01 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.27 1y9x n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1y9x n ASP 81 N -1.53 0.00 -0.49 1.08 2.03 -1.26 -4.93 116.55 111.46 1y9x n ASP 81 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 1y9x n ASP 81 Cb 0.00 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.50 1y9x n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y9x n GLY 82 N 3.49 1.95 3.55 0.27 0.00 -1.26 -4.92 105.19 108.27 1y9x n GLY 82 Ca 0.00 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1y9x n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y9x s ARG 83 N -0.94 3.45 0.18 1.61 3.52 -1.26 -5.00 118.95 120.51 1y9x s ARG 83 Ca 0.17 0.02 -0.30 0.00 -0.13 0.00 0.00 55.73 55.49 1y9x s ARG 83 Cb 0.09 -4.00 -0.07 0.00 -1.56 0.00 0.00 34.95 29.41 1y9x s ARG 83 CO 0.13 -1.44 0.98 -0.65 -0.81 0.00 0.00 175.30 173.51 1y9x s GLN 84 N 4.12 4.74 -0.08 5.12 -0.21 -1.26 -0.54 119.66 131.54 1y9x s GLN 84 Ca 0.36 1.53 0.03 0.00 0.02 0.00 0.00 55.36 57.29 1y9x s GLN 84 Cb -0.10 -3.32 0.01 0.00 1.00 0.00 0.00 33.01 30.60 1y9x s GLN 84 CO 0.24 0.31 -0.17 0.45 -2.12 0.00 0.00 175.29 173.99 1y9x s SER 85 N -0.51 2.35 -0.22 5.90 0.15 0.16 -4.86 113.70 116.67 1y9x s SER 85 Ca 0.45 -0.41 -0.09 0.00 0.70 0.00 0.00 55.95 56.60 1y9x s SER 85 Cb -0.26 -1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.94 1y9x s SER 85 CO 0.32 0.08 0.10 -0.13 1.20 0.00 0.00 173.24 174.81 1y9x s ARG 86 N 0.60 3.93 -0.05 5.44 0.52 -1.25 -0.51 118.95 127.63 1y9x s ARG 86 Ca -0.15 -0.35 0.06 0.00 -0.52 0.00 0.00 55.73 54.77 1y9x s ARG 86 Cb -0.16 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 1y9x s ARG 86 CO 0.05 0.07 -0.23 0.08 0.02 0.00 0.00 175.30 175.29 1y9x s VAL 87 N 0.95 1.89 0.05 3.52 1.01 0.25 -4.89 120.40 123.18 1y9x s VAL 87 Ca 0.05 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 60.74 1y9x s VAL 87 Cb -0.14 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 1y9x s VAL 87 CO 0.03 0.53 1.39 -0.94 0.00 0.00 0.00 175.10 176.11 1y9x s SER 88 N -0.22 6.85 0.13 3.32 1.04 -1.26 0.23 113.70 123.80 1y9x s SER 88 Ca -0.01 2.19 0.03 0.00 0.48 0.00 0.00 55.95 58.65 1y9x s SER 88 Cb -0.12 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.38 1y9x s SER 88 CO 0.02 -0.68 -0.09 0.42 0.98 0.00 0.00 173.24 173.90 1y9x s THR 89 N 1.84 0.99 -0.01 2.02 -4.23 0.32 -0.14 115.64 116.44 1y9x s THR 89 Ca 0.64 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1y9x s THR 89 Cb -0.33 -1.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 1y9x s THR 89 CO 0.28 -0.78 -0.08 -0.51 -0.54 0.00 0.00 174.62 172.99 1y9x s ILE 90 N -3.44 0.65 -0.27 2.99 2.07 -0.50 -0.61 121.20 122.09 1y9x s ILE 90 Ca 0.15 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 59.06 1y9x s ILE 90 Cb 0.04 -0.55 0.05 0.00 0.13 0.00 0.00 42.46 42.13 1y9x s ILE 90 CO -0.01 0.19 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.43 1y9x s GLU 91 N -0.14 2.37 -0.23 3.50 2.12 0.34 -1.93 118.70 124.72 1y9x s GLU 91 Ca 0.02 -1.28 -0.04 0.00 0.36 0.00 0.00 54.97 54.03 1y9x s GLU 91 Cb -0.04 -2.97 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 1y9x s GLU 91 CO -0.00 -0.56 -0.03 0.42 -0.54 0.00 0.00 175.26 174.55 1y9x s ILE 92 N 1.17 3.44 -0.14 -3.70 1.01 -0.17 -1.76 121.20 121.05 1y9x s ILE 92 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1y9x s ILE 92 Cb -0.19 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.72 1y9x s ILE 92 CO -0.04 0.40 -0.13 0.00 0.00 0.00 0.00 174.94 175.17 1y9x s ALA 93 N 1.49 1.76 0.35 9.38 0.00 -0.89 -0.29 121.76 133.55 1y9x s ALA 93 Ca 0.06 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.24 1y9x s ALA 93 Cb -0.14 -1.02 -0.07 0.00 0.00 0.00 0.00 23.12 21.89 1y9x s ALA 93 CO -0.03 -0.37 0.01 0.96 0.00 0.00 0.00 175.76 176.33 1y9x s ILE 94 N 1.50 1.61 -0.02 0.00 -4.36 -1.02 -2.47 121.20 116.44 1y9x s ILE 94 Ca 0.04 -2.03 0.01 0.00 -0.26 0.00 0.00 60.65 58.41 1y9x s ILE 94 Cb -0.13 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.79 1y9x s ILE 94 CO -0.10 -0.06 -0.02 -0.60 0.24 0.00 0.00 174.94 174.40 1y9x s ARG 95 N -3.78 0.40 0.03 0.37 3.52 -0.21 -2.74 118.95 116.55 1y9x s ARG 95 Ca 0.35 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.91 1y9x s ARG 95 Cb 0.08 -0.48 0.01 0.00 -1.56 0.00 0.00 34.95 33.00 1y9x s ARG 95 CO 0.16 -0.04 0.04 1.63 -0.81 0.00 0.00 175.30 176.28 1y9x n LYS 96 N 3.68 0.76 0.00 5.12 4.76 0.10 -0.62 118.16 131.96 1y9x n LYS 96 Ca -0.21 -0.14 0.16 0.00 -2.87 0.00 0.00 58.31 55.25 1y9x n LYS 96 Cb 0.53 -0.02 0.93 0.00 -1.84 0.00 0.00 35.03 34.64 1y9x n LYS 96 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39