#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9x h SER 2 N 0.00 0.51 -0.61 6.12 0.87 -2.08 -2.19 113.55 116.18 1y9x h SER 2 Ca 0.00 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1y9x h SER 2 Cb 0.00 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1y9x h SER 2 CO 0.00 0.42 0.05 -1.54 -0.53 0.00 0.00 176.83 175.22 1y9x n SER 3 N -4.75 5.61 -3.43 6.23 3.41 -1.26 -4.71 113.62 114.72 1y9x n SER 3 Ca 0.01 -2.99 -0.24 0.00 -0.26 0.00 0.00 58.87 55.39 1y9x n SER 3 Cb 0.05 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.19 1y9x n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1y9x s GLY 4 N -0.84 0.41 -0.05 5.00 0.00 -0.82 -5.11 107.32 105.90 1y9x s GLY 4 Ca 0.55 -1.29 -0.29 0.00 0.00 0.00 0.00 44.72 43.69 1y9x s GLY 4 CO 0.16 2.36 1.96 -1.08 0.00 0.00 0.00 173.10 176.50 1y9x s THR 5 N 1.49 3.13 -2.25 0.90 -1.32 -1.26 -2.16 115.64 114.18 1y9x s THR 5 Ca 0.15 0.16 0.23 0.00 -1.21 0.00 0.00 61.69 61.02 1y9x s THR 5 Cb -0.18 -3.12 0.50 0.00 -1.51 0.00 0.00 72.50 68.18 1y9x s THR 5 CO -0.10 -0.04 1.44 -0.81 -2.21 0.00 0.00 174.62 172.91 1y9x n PRO 6 N 7.80 2.58 -2.14 7.08 -0.04 -1.26 -4.97 135.00 144.05 1y9x n PRO 6 Ca 0.22 -2.42 -0.03 0.00 -0.04 0.00 0.00 63.50 61.23 1y9x n PRO 6 Cb 0.43 -1.53 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 1y9x n PRO 6 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1y9x n THR 7 N 1.53 -9.87 -1.09 0.52 -1.04 -1.26 -5.05 114.28 98.02 1y9x n THR 7 Ca 0.21 2.01 -0.16 0.00 -2.04 0.00 0.00 64.05 64.08 1y9x n THR 7 Cb 0.61 -5.46 0.12 0.00 -1.82 0.00 0.00 70.33 63.78 1y9x n THR 7 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1y9x n PRO 8 N 1.20 -1.49 -3.73 -2.82 -0.04 -1.26 -5.11 135.00 121.76 1y9x n PRO 8 Ca -0.20 -0.99 -0.18 0.00 -0.04 0.00 0.00 63.50 62.09 1y9x n PRO 8 Cb 0.31 -0.80 -0.05 0.00 -0.04 0.00 0.00 33.50 32.92 1y9x n PRO 8 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1y9x n SER 9 N -3.75 1.11 -0.48 3.54 7.64 -1.26 -5.03 113.62 115.39 1y9x n SER 9 Ca 0.08 -2.56 0.03 0.00 1.01 0.00 0.00 58.87 57.43 1y9x n SER 9 Cb 0.31 0.75 0.09 0.00 -1.01 0.00 0.00 64.21 64.35 1y9x n SER 9 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1y9x n ASN 10 N -1.68 1.33 -4.73 6.43 0.23 -1.26 -4.79 115.26 110.78 1y9x n ASN 10 Ca -0.04 -2.07 -0.35 0.00 -0.53 0.00 0.00 54.58 51.59 1y9x n ASN 10 Cb 0.44 -0.24 -0.08 0.00 -2.08 0.00 0.00 39.78 37.82 1y9x n ASN 10 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1y9x s VAL 11 N -1.67 5.38 -0.03 3.53 -7.23 -1.26 -1.47 120.40 117.66 1y9x s VAL 11 Ca 0.13 0.29 0.07 0.00 -1.81 0.00 0.00 61.98 60.65 1y9x s VAL 11 Cb 0.08 -3.51 -0.02 0.00 0.56 0.00 0.00 36.38 33.48 1y9x s VAL 11 CO 0.07 0.43 -0.23 0.68 -0.31 0.00 0.00 175.10 175.74 1y9x s VAL 12 N 0.40 2.31 -0.21 1.32 -7.23 -0.82 -5.01 120.40 111.16 1y9x s VAL 12 Ca 0.10 -1.00 -0.12 0.00 -1.81 0.00 0.00 61.98 59.15 1y9x s VAL 12 Cb -0.12 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 1y9x s VAL 12 CO -0.00 0.58 0.23 -0.76 -0.31 0.00 0.00 175.10 174.84 1y9x s LEU 13 N -0.58 4.17 -0.41 1.32 2.01 -1.26 -1.64 118.68 122.30 1y9x s LEU 13 Ca 0.09 0.31 -0.16 0.00 0.01 0.00 0.00 54.13 54.38 1y9x s LEU 13 Cb -0.11 -2.24 0.02 0.00 0.01 0.00 0.00 46.19 43.86 1y9x s LEU 13 CO -0.00 0.07 0.35 -0.63 1.01 0.00 0.00 176.35 177.15 1y9x s ILE 14 N 0.83 5.19 0.00 -0.59 -1.09 -1.17 -4.78 121.20 119.59 1y9x s ILE 14 Ca 0.12 -0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 1y9x s ILE 14 Cb -0.13 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1y9x s ILE 14 CO 0.04 -0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.03 1y9x n GLY 15 N 5.12 -0.63 2.20 6.18 0.00 -1.26 -4.50 105.19 112.30 1y9x n GLY 15 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1y9x n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1y9x n LYS 16 N 0.00 0.00 -3.78 1.61 4.81 -1.26 -5.14 118.16 114.40 1y9x n LYS 16 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 1y9x n LYS 16 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1y9x s LYS 17 N -2.00 3.24 0.78 1.64 1.02 -1.26 -5.10 119.74 118.06 1y9x s LYS 17 Ca 0.00 -0.91 -0.13 0.00 0.02 0.00 0.00 55.97 54.95 1y9x s LYS 17 Cb 0.00 -2.82 0.07 0.00 -0.52 0.00 0.00 37.83 34.56 1y9x s LYS 17 CO 0.00 0.27 1.16 -1.25 -0.92 0.00 0.00 175.35 174.61 1y9x s PRO 18 N -4.04 1.90 0.48 -1.68 0.04 -1.26 -4.92 135.00 125.53 1y9x s PRO 18 Ca 0.38 1.57 0.26 0.00 0.04 0.00 0.00 61.00 63.26 1y9x s PRO 18 Cb -0.09 -1.82 1.31 0.00 0.04 0.00 0.00 34.50 33.94 1y9x s PRO 18 CO 0.29 -1.98 1.86 -0.24 0.04 0.00 0.00 177.00 176.98 1y9x h VAL 19 N -0.83 0.58 -0.43 -0.36 3.04 -1.99 -2.26 116.25 113.99 1y9x h VAL 19 Ca -0.46 -0.06 0.09 0.00 -1.01 0.00 0.00 66.70 65.26 1y9x h VAL 19 Cb 1.27 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.91 1y9x h VAL 19 CO 0.48 0.03 0.30 0.00 -1.01 0.00 0.00 177.57 177.37 1y9x h MET 20 N 0.18 0.18 0.00 4.17 -0.00 -2.00 -1.59 114.93 115.86 1y9x h MET 20 Ca 0.47 -0.01 -0.24 0.00 -0.00 0.00 0.00 59.70 59.92 1y9x h MET 20 Cb 1.55 -0.04 0.01 0.00 -0.00 0.00 0.00 31.60 33.12 1y9x h MET 20 CO -0.10 0.12 -0.98 -0.97 -0.00 0.00 0.00 176.91 174.98 1y9x h ASN 21 N 0.18 0.66 -0.10 -0.10 -0.73 -1.77 -2.93 115.58 110.79 1y9x h ASN 21 Ca 0.20 -0.53 -0.16 0.00 1.87 0.00 0.00 56.30 57.68 1y9x h ASN 21 Cb 0.55 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 1y9x h ASN 21 CO -0.03 1.33 -0.50 1.88 -0.37 0.00 0.00 177.43 179.74 1y9x h TYR 22 N 0.28 0.83 -0.28 0.67 0.05 -1.46 -0.71 116.97 116.36 1y9x h TYR 22 Ca -0.10 -0.28 0.01 0.00 0.05 0.00 0.00 58.73 58.42 1y9x h TYR 22 Cb 1.62 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 39.18 1y9x h TYR 22 CO 0.07 1.03 0.16 0.28 -1.05 0.00 0.00 178.16 178.66 1y9x h VAL 23 N 0.53 1.03 -0.09 -2.88 2.07 -1.43 -1.04 116.25 114.43 1y9x h VAL 23 Ca 0.02 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 1y9x h VAL 23 Cb 1.05 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1y9x h VAL 23 CO 0.10 0.06 -0.43 -0.07 0.02 0.00 0.00 177.57 177.25 1y9x h LEU 24 N 0.33 0.23 -0.30 2.57 3.38 -1.35 -2.79 115.31 117.38 1y9x h LEU 24 Ca 0.11 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1y9x h LEU 24 Cb -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1y9x h LEU 24 CO -0.05 0.63 -0.08 0.00 0.09 0.00 0.00 178.44 179.03 1y9x h ALA 25 N 1.38 0.41 -0.45 1.53 0.00 -0.76 -2.30 119.26 119.08 1y9x h ALA 25 Ca 0.01 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1y9x h ALA 25 Cb 0.83 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1y9x h ALA 25 CO 0.07 0.24 0.28 0.00 0.00 0.00 0.00 179.25 179.83 1y9x h ALA 26 N 0.78 0.57 -0.40 0.00 0.00 -1.03 -0.55 119.26 118.62 1y9x h ALA 26 Ca 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1y9x h ALA 26 Cb 0.57 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1y9x h ALA 26 CO 0.03 -0.02 0.01 -0.07 0.00 0.00 0.00 179.25 179.20 1y9x h LEU 27 N 0.57 0.61 -0.44 0.00 3.38 -1.46 -1.02 115.31 116.94 1y9x h LEU 27 Ca 0.17 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1y9x h LEU 27 Cb -0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1y9x h LEU 27 CO -0.06 0.67 -0.41 0.74 0.09 0.00 0.00 178.44 179.48 1y9x h THR 28 N 0.61 1.28 -0.23 0.22 2.02 -0.81 -2.67 112.91 113.32 1y9x h THR 28 Ca 0.13 -1.58 -0.14 0.00 0.77 0.00 0.00 66.41 65.59 1y9x h THR 28 Cb 0.37 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1y9x h THR 28 CO 0.01 0.52 -0.42 -0.07 0.37 0.00 0.00 175.52 175.93 1y9x h LEU 29 N 0.70 0.59 -0.46 2.58 3.38 -0.76 -2.94 115.31 118.40 1y9x h LEU 29 Ca 0.05 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1y9x h LEU 29 Cb 0.99 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1y9x h LEU 29 CO 0.10 0.94 0.29 0.25 0.09 0.00 0.00 178.44 180.11 1y9x h LEU 30 N 0.46 0.49 -1.99 1.67 7.12 -1.10 -1.68 115.31 120.27 1y9x h LEU 30 Ca 0.04 -0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 1y9x h LEU 30 Cb 0.93 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.95 1y9x h LEU 30 CO 0.08 0.35 -0.10 -1.13 -0.13 0.00 0.00 178.44 177.51 1y9x h ASN 31 N 0.59 0.00 1.81 1.25 -0.00 -1.31 -1.92 115.58 116.00 1y9x h ASN 31 Ca 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.44 1y9x h ASN 31 Cb -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.29 1y9x h ASN 31 CO -0.06 0.10 -0.16 1.56 -0.00 0.00 0.00 177.43 178.87 1y9x h GLN 32 N 0.00 0.00 0.00 6.67 4.20 -1.16 -3.47 115.11 121.35 1y9x h GLN 32 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1y9x h GLN 32 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1y9x h GLN 32 CO 0.01 0.16 0.00 0.41 -0.67 0.00 0.00 178.83 178.75 1y9x n GLY 33 N 1.11 1.26 3.56 3.46 0.00 -0.72 -5.07 105.19 108.79 1y9x n GLY 33 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.44 3.50 -0.55 1.61 1.01 -0.88 -4.77 120.40 119.87 1y9x s VAL 34 Ca 0.00 -0.17 0.25 0.00 0.00 0.00 0.00 61.98 62.06 1y9x s VAL 34 Cb 0.00 -4.18 0.32 0.00 0.00 0.00 0.00 36.38 32.51 1y9x s VAL 34 CO 0.00 -1.13 1.70 0.28 0.00 0.00 0.00 175.10 175.96 1y9x h SER 35 N 12.20 0.00 -3.50 3.32 0.02 -1.85 -3.28 113.55 120.46 1y9x h SER 35 Ca -0.04 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.64 1y9x h SER 35 Cb 1.06 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.28 1y9x h SER 35 CO 1.24 0.00 -0.67 -1.83 -1.14 0.00 0.00 176.83 174.44 1y9x s GLU 36 N -3.18 0.02 0.13 3.45 -1.05 -1.26 -0.43 118.70 116.38 1y9x s GLU 36 Ca 0.08 0.25 0.05 0.00 -0.15 0.00 0.00 54.97 55.21 1y9x s GLU 36 Cb 0.09 -0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.54 1y9x s GLU 36 CO 0.62 -0.15 -0.13 0.96 0.95 0.00 0.00 175.26 177.51 1y9x s ILE 37 N 1.02 1.27 -0.22 1.83 -0.00 -1.07 -4.97 121.20 119.06 1y9x s ILE 37 Ca -0.08 -1.81 0.02 0.00 -0.00 0.00 0.00 60.65 58.78 1y9x s ILE 37 Cb -0.11 -1.60 0.05 0.00 -0.00 0.00 0.00 42.46 40.79 1y9x s ILE 37 CO -0.04 -0.51 -0.13 -0.69 -0.00 0.00 0.00 174.94 173.57 1y9x s VAL 38 N -2.47 1.97 -0.24 8.37 1.01 -0.54 -2.43 120.40 126.07 1y9x s VAL 38 Ca 0.11 -1.29 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 1y9x s VAL 38 Cb -0.03 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1y9x s VAL 38 CO 0.02 0.15 0.38 -0.63 0.00 0.00 0.00 175.10 175.03 1y9x s ILE 39 N 1.24 5.18 -0.17 2.22 1.01 0.11 -1.95 121.20 128.85 1y9x s ILE 39 Ca -0.04 0.63 0.01 0.00 0.00 0.00 0.00 60.65 61.25 1y9x s ILE 39 Cb -0.17 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1y9x s ILE 39 CO -0.08 0.19 -0.19 -0.54 0.00 0.00 0.00 174.94 174.32 1y9x s LYS 40 N 1.79 2.85 0.37 2.79 1.02 -0.65 -0.31 119.74 127.59 1y9x s LYS 40 Ca 0.17 -0.78 0.08 0.00 0.02 0.00 0.00 55.97 55.46 1y9x s LYS 40 Cb -0.15 -2.46 -0.07 0.00 -0.52 0.00 0.00 37.83 34.63 1y9x s LYS 40 CO 0.09 -0.19 -0.04 0.00 -0.92 0.00 0.00 175.35 174.28 1y9x s ALA 41 N 1.27 2.99 0.00 5.17 0.00 -0.67 -3.06 121.76 127.46 1y9x s ALA 41 Ca 0.04 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 49.83 1y9x s ALA 41 Cb -0.13 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1y9x s ALA 41 CO -0.11 -0.03 -0.01 0.50 0.00 0.00 0.00 175.76 176.11 1y9x s ARG 42 N -3.67 0.13 5.32 0.00 3.52 -1.26 -1.08 118.95 121.91 1y9x s ARG 42 Ca 0.34 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 1y9x s ARG 42 Cb 0.06 -0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 1y9x s ARG 42 CO 0.17 0.01 0.00 0.41 -0.81 0.00 0.00 175.30 175.08 1y9x n GLY 43 N 2.77 0.97 0.17 8.12 0.00 -0.06 -1.27 105.19 115.89 1y9x n GLY 43 Ca -0.14 0.49 0.10 0.00 0.00 0.00 0.00 46.02 46.46 1y9x n GLY 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1y9x h ARG 44 N 0.00 0.00 0.00 1.61 9.65 -1.98 -3.29 114.38 120.37 1y9x h ARG 44 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1y9x h ARG 44 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1y9x h ARG 44 CO 0.00 0.10 0.00 0.00 2.80 0.00 0.00 179.97 182.87 1y9x n ALA 45 N -2.16 1.94 -0.33 2.80 0.00 -0.40 -3.01 120.51 119.35 1y9x n ALA 45 Ca 0.02 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.44 1y9x n ALA 45 Cb 0.59 -1.32 0.24 0.00 0.00 0.00 0.00 19.45 18.96 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 1.00 0.00 0.00 2.04 -1.71 -0.08 117.51 118.76 1y9x h ILE 46 Ca 0.00 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 1y9x h ILE 46 Cb 0.29 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1y9x h ILE 46 CO 0.00 0.19 -0.22 -1.28 0.00 0.00 0.00 178.15 176.84 1y9x h SER 47 N 1.02 0.00 0.36 1.72 0.87 -1.83 -2.58 113.55 113.11 1y9x h SER 47 Ca 0.44 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.72 1y9x h SER 47 Cb 0.34 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1y9x h SER 47 CO -0.20 0.22 -1.21 0.11 -0.53 0.00 0.00 176.83 175.22 1y9x h LYS 48 N 0.00 0.45 -0.43 2.24 1.57 -1.25 -2.83 116.57 116.33 1y9x h LYS 48 Ca -0.00 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 1y9x h LYS 48 Cb 0.39 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1y9x h LYS 48 CO 0.03 1.27 0.27 0.00 -0.57 0.00 0.00 179.45 180.45 1y9x h ALA 49 N 0.47 0.54 -0.10 3.86 0.00 -0.95 0.03 119.26 123.11 1y9x h ALA 49 Ca -0.16 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1y9x h ALA 49 Cb 1.89 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1y9x h ALA 49 CO 0.22 0.02 -0.71 -0.24 0.00 0.00 0.00 179.25 178.54 1y9x h VAL 50 N 0.57 1.36 -0.26 0.00 3.04 -1.61 -3.01 116.25 116.33 1y9x h VAL 50 Ca 0.15 -2.07 0.02 0.00 -1.01 0.00 0.00 66.70 63.79 1y9x h VAL 50 Cb -0.02 2.05 -0.02 0.00 -2.01 0.00 0.00 31.29 31.28 1y9x h VAL 50 CO -0.03 0.63 0.13 -0.78 -1.01 0.00 0.00 177.57 176.50 1y9x h ASP 51 N 0.32 0.19 -0.07 3.17 3.58 -1.21 0.66 116.42 123.06 1y9x h ASP 51 Ca -0.03 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.47 1y9x h ASP 51 Cb 1.28 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 42.26 1y9x h ASP 51 CO 0.13 0.14 -0.27 0.74 -2.88 0.00 0.00 179.24 177.10 1y9x h THR 52 N 0.27 0.38 0.00 2.25 2.02 -0.98 -0.77 112.91 116.08 1y9x h THR 52 Ca 0.10 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.17 1y9x h THR 52 Cb 0.03 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1y9x h THR 52 CO -0.07 0.00 -0.57 -0.37 0.37 0.00 0.00 175.52 174.88 1y9x h VAL 53 N -0.37 1.33 -0.32 3.16 -1.51 -1.37 -1.90 116.25 115.26 1y9x h VAL 53 Ca 0.08 -1.99 -0.12 0.00 -1.23 0.00 0.00 66.70 63.44 1y9x h VAL 53 Cb 0.49 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.74 1y9x h VAL 53 CO -0.28 0.56 -0.29 -0.08 -1.23 0.00 0.00 177.57 176.24 1y9x h GLU 54 N 0.00 0.68 0.01 5.19 4.81 -0.43 -0.21 114.58 124.64 1y9x h GLU 54 Ca -0.01 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1y9x h GLU 54 Cb 1.05 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1y9x h GLU 54 CO 0.07 0.89 -0.00 0.82 -0.73 0.00 0.00 179.01 180.06 1y9x h ILE 55 N 0.58 1.20 -0.61 2.32 2.04 -0.94 -3.17 117.51 118.92 1y9x h ILE 55 Ca 0.07 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.35 1y9x h ILE 55 Cb 0.79 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.45 1y9x h ILE 55 CO 0.07 0.16 0.34 0.58 0.00 0.00 0.00 178.15 179.30 1y9x h VAL 56 N -0.29 0.99 0.00 1.67 2.07 -1.13 -1.53 116.25 118.04 1y9x h VAL 56 Ca -0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1y9x h VAL 56 Cb 0.28 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1y9x h VAL 56 CO 0.00 0.12 0.00 -2.11 0.02 0.00 0.00 177.57 175.60 1y9x n ARG 57 N -4.80 0.63 0.00 1.57 1.85 -0.11 -2.87 116.66 112.93 1y9x n ARG 57 Ca 0.07 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 1y9x n ARG 57 Cb 0.14 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.05 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 -1.10 0.80 0.01 2.89 4.05 -0.85 -3.97 115.26 117.09 1y9x n ASN 58 Ca 0.16 -1.32 -0.02 0.00 0.45 0.00 0.00 54.58 53.85 1y9x n ASN 58 Cb 0.12 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.12 1y9x n ASN 58 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1y9x n ARG 59 N -0.16 0.13 -0.05 1.20 0.63 -0.63 -4.83 116.66 112.94 1y9x n ARG 59 Ca 0.00 0.05 -0.14 0.00 -0.92 0.00 0.00 57.85 56.84 1y9x n ARG 59 Cb 0.30 -0.65 -0.12 0.00 0.45 0.00 0.00 32.46 32.43 1y9x n ARG 59 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1y9x h PHE 60 N -0.24 -0.00 -1.05 -0.14 3.57 -1.80 -3.45 116.94 113.83 1y9x h PHE 60 Ca 0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1y9x h PHE 60 Cb 0.24 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 38.76 1y9x h PHE 60 CO -0.10 0.81 -0.33 -1.17 -2.23 0.00 0.00 178.31 175.29 1y9x s LEU 61 N -8.58 -1.44 -0.08 0.59 2.96 -1.26 -5.02 118.68 105.86 1y9x s LEU 61 Ca -0.18 0.56 0.17 0.00 -0.22 0.00 0.00 54.13 54.46 1y9x s LEU 61 Cb -0.01 2.05 -0.23 0.00 0.50 0.00 0.00 46.19 48.50 1y9x s LEU 61 CO 0.68 -0.28 0.44 0.00 -1.32 0.00 0.00 176.35 175.87 1y9x n ALA 62 N 5.42 1.77 -0.28 5.97 0.00 -1.25 -4.39 120.51 127.74 1y9x n ALA 62 Ca 0.01 -0.91 -0.03 0.00 0.00 0.00 0.00 53.44 52.52 1y9x n ALA 62 Cb 0.52 -0.60 0.09 0.00 0.00 0.00 0.00 19.45 19.46 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 0.00 0.82 -3.74 0.00 5.19 -1.95 -3.38 116.42 113.35 1y9x h ASP 63 Ca -0.32 -0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.44 1y9x h ASP 63 Cb 1.87 -0.18 -0.38 0.00 0.18 0.00 0.00 39.33 40.82 1y9x h ASP 63 CO 0.04 0.57 -0.78 -0.54 -3.12 0.00 0.00 179.24 175.40 1y9x s LYS 64 N -6.11 1.88 -0.15 3.56 1.02 -1.26 -5.08 119.74 113.59 1y9x s LYS 64 Ca -0.13 -1.29 -0.28 0.00 0.02 0.00 0.00 55.97 54.29 1y9x s LYS 64 Cb 0.16 -2.80 0.08 0.00 -0.52 0.00 0.00 37.83 34.75 1y9x s LYS 64 CO 0.78 -0.64 0.75 -1.50 -0.92 0.00 0.00 175.35 173.82 1y9x s ILE 65 N 1.19 0.00 0.05 2.17 1.10 -1.26 -4.37 121.20 120.08 1y9x s ILE 65 Ca -0.05 0.00 -0.07 0.00 -0.51 0.00 0.00 60.65 60.03 1y9x s ILE 65 Cb -0.19 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.41 1y9x s ILE 65 CO -0.06 0.00 0.13 -0.70 -2.11 0.00 0.00 174.94 172.19 1y9x s GLU 66 N -0.53 0.66 -0.08 3.50 2.56 -1.18 -4.94 118.70 118.69 1y9x s GLU 66 Ca -0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 54.97 54.09 1y9x s GLU 66 Cb -0.02 0.26 -0.04 0.00 2.00 0.00 0.00 34.13 36.34 1y9x s GLU 66 CO 0.05 -0.18 0.06 0.42 -0.56 0.00 0.00 175.26 175.05 1y9x s ILE 67 N -2.92 4.75 -0.19 -3.70 1.01 -1.26 -1.82 121.20 117.07 1y9x s ILE 67 Ca -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1y9x s ILE 67 Cb 0.01 -3.06 -0.21 0.00 0.01 0.00 0.00 42.46 39.20 1y9x s ILE 67 CO -0.06 0.55 0.07 1.17 0.00 0.00 0.00 174.94 176.68 1y9x n LYS 68 N 1.88 0.69 -3.59 2.79 4.81 0.82 -4.75 118.16 120.80 1y9x n LYS 68 Ca -0.18 0.18 -0.11 0.00 -0.87 0.00 0.00 58.31 57.34 1y9x n LYS 68 Cb 0.54 -1.61 -0.06 0.00 0.02 0.00 0.00 35.03 33.92 1y9x n LYS 68 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1y9x s GLU 69 N -2.54 0.60 -0.31 1.64 2.56 -0.30 -5.00 118.70 115.35 1y9x s GLU 69 Ca -0.26 0.32 0.00 0.00 0.00 0.00 0.00 54.97 55.04 1y9x s GLU 69 Cb 0.08 0.29 0.14 0.00 2.00 0.00 0.00 34.13 36.63 1y9x s GLU 69 CO 0.70 -0.15 0.30 0.96 -0.56 0.00 0.00 175.26 176.51 1y9x s ILE 70 N -0.63 -0.34 0.01 -3.70 -4.36 -1.25 -0.42 121.20 110.51 1y9x s ILE 70 Ca -0.01 -0.68 0.04 0.00 -0.26 0.00 0.00 60.65 59.75 1y9x s ILE 70 Cb -0.02 -0.92 -0.01 0.00 1.25 0.00 0.00 42.46 42.75 1y9x s ILE 70 CO -0.01 -0.54 -0.12 0.00 0.24 0.00 0.00 174.94 174.51 1y9x s ARG 71 N 2.08 0.94 -0.07 0.37 1.70 -0.72 -5.00 118.95 118.25 1y9x s ARG 71 Ca 0.11 -0.54 0.04 0.00 -0.47 0.00 0.00 55.73 54.88 1y9x s ARG 71 Cb -0.15 -0.91 -0.01 0.00 -0.57 0.00 0.00 34.95 33.31 1y9x s ARG 71 CO -0.25 0.24 -0.21 0.08 -1.08 0.00 0.00 175.30 174.08 1y9x s VAL 72 N -0.49 2.44 -0.02 4.99 1.01 -1.26 -0.29 120.40 126.78 1y9x s VAL 72 Ca 0.03 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 1y9x s VAL 72 Cb -0.06 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.45 1y9x s VAL 72 CO 0.00 0.57 0.57 -0.83 0.00 0.00 0.00 175.10 175.41 1y9x s GLY 73 N -0.15 -0.46 -0.12 4.51 0.00 0.26 -5.00 107.32 106.36 1y9x s GLY 73 Ca -0.03 0.95 -0.30 0.00 0.00 0.00 0.00 44.72 45.35 1y9x s GLY 73 CO 0.04 0.63 1.03 -0.56 0.00 0.00 0.00 173.10 174.24 1y9x s SER 74 N -1.43 7.21 -0.12 1.64 0.01 -1.26 -0.40 113.70 119.35 1y9x s SER 74 Ca -0.10 1.54 -0.03 0.00 1.31 0.00 0.00 55.95 58.67 1y9x s SER 74 Cb -0.01 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1y9x s SER 74 CO 0.06 -0.49 -0.01 -1.58 0.41 0.00 0.00 173.24 171.63 1y9x s GLN 75 N 2.18 3.32 -0.32 12.44 0.74 0.15 -4.89 119.66 133.28 1y9x s GLN 75 Ca 0.49 -0.45 -0.10 0.00 0.05 0.00 0.00 55.36 55.34 1y9x s GLN 75 Cb -0.18 -2.86 -0.01 0.00 1.10 0.00 0.00 33.01 31.06 1y9x s GLN 75 CO 0.17 0.49 0.17 0.14 -0.55 0.00 0.00 175.29 175.70 1y9x s VAL 76 N -0.29 4.68 -0.07 1.34 -7.23 -1.26 -0.52 120.40 117.06 1y9x s VAL 76 Ca 0.06 -0.42 0.05 0.00 -1.81 0.00 0.00 61.98 59.85 1y9x s VAL 76 Cb -0.12 -3.40 -0.01 0.00 0.56 0.00 0.00 36.38 33.40 1y9x s VAL 76 CO 0.02 0.04 -0.22 0.68 -0.31 0.00 0.00 175.10 175.32 1y9x s VAL 77 N 1.62 2.36 -0.19 1.32 -7.23 -0.51 -4.90 120.40 112.87 1y9x s VAL 77 Ca 0.05 -0.95 -0.29 0.00 -1.81 0.00 0.00 61.98 58.97 1y9x s VAL 77 Cb -0.17 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.88 1y9x s VAL 77 CO 0.07 0.57 1.02 0.42 -0.31 0.00 0.00 175.10 176.87 1y9x s THR 78 N -0.16 4.72 0.23 5.32 -4.23 -1.26 -0.43 115.64 119.83 1y9x s THR 78 Ca -0.03 2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 62.43 1y9x s THR 78 Cb -0.14 -4.31 0.21 0.00 1.34 0.00 0.00 72.50 69.61 1y9x s THR 78 CO 0.04 -0.12 1.90 -1.28 -0.54 0.00 0.00 174.62 174.62 1y9x h SER 79 N 7.35 1.01 0.00 3.99 0.87 -1.55 -3.45 113.55 121.77 1y9x h SER 79 Ca -0.23 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1y9x h SER 79 Cb 1.09 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1y9x h SER 79 CO 0.94 0.72 0.00 0.00 -0.53 0.00 0.00 176.83 177.96 1y9x n GLN 80 N -4.48 0.00 0.00 2.24 10.64 -1.26 -5.08 117.38 119.44 1y9x n GLN 80 Ca 0.10 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.27 1y9x n GLN 80 Cb 0.04 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.42 1y9x n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1y9x n ASP 81 N -0.58 1.07 -0.37 2.61 2.03 -1.26 -4.99 116.55 115.06 1y9x n ASP 81 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1y9x n ASP 81 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 4.96 0.47 3.55 0.27 0.00 -1.26 -4.67 105.19 108.51 1y9x n GLY 82 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.26 3.13 -0.60 1.61 3.52 -1.26 -4.94 118.95 119.15 1y9x s ARG 83 Ca 0.00 -0.08 -0.24 0.00 -0.13 0.00 0.00 55.73 55.28 1y9x s ARG 83 Cb 0.00 -4.20 0.05 0.00 -1.56 0.00 0.00 34.95 29.24 1y9x s ARG 83 CO 0.00 -2.20 1.00 -0.65 -0.81 0.00 0.00 175.30 172.64 1y9x s GLN 84 N 5.88 3.26 -0.36 5.12 -0.21 -1.26 -1.23 119.66 130.86 1y9x s GLN 84 Ca 0.40 -0.39 -0.25 0.00 0.02 0.00 0.00 55.36 55.13 1y9x s GLN 84 Cb -0.09 -4.11 0.01 0.00 1.00 0.00 0.00 33.01 29.82 1y9x s GLN 84 CO 0.17 -1.66 0.90 -1.12 -2.12 0.00 0.00 175.29 171.45 1y9x s SER 85 N 3.19 6.68 -0.45 5.90 0.01 0.43 -4.85 113.70 124.61 1y9x s SER 85 Ca 0.29 0.60 -0.22 0.00 1.31 0.00 0.00 55.95 57.92 1y9x s SER 85 Cb -0.13 -2.45 0.03 0.00 0.21 0.00 0.00 66.02 63.67 1y9x s SER 85 CO 0.16 -0.82 0.75 -0.13 0.41 0.00 0.00 173.24 173.62 1y9x s ARG 86 N 3.38 3.37 -0.05 12.44 0.52 -1.26 -1.43 118.95 135.93 1y9x s ARG 86 Ca 0.37 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.43 1y9x s ARG 86 Cb -0.12 -3.94 0.01 0.00 0.52 0.00 0.00 34.95 31.41 1y9x s ARG 86 CO 0.17 -1.09 -0.13 0.14 0.02 0.00 0.00 175.30 174.42 1y9x s VAL 87 N 3.16 1.12 0.02 3.52 -7.23 0.32 -4.91 120.40 116.41 1y9x s VAL 87 Ca 0.28 -0.50 -0.30 0.00 -1.81 0.00 0.00 61.98 59.64 1y9x s VAL 87 Cb -0.13 -1.01 -0.06 0.00 0.56 0.00 0.00 36.38 35.75 1y9x s VAL 87 CO 0.22 0.34 1.35 -0.55 -0.31 0.00 0.00 175.10 176.15 1y9x s SER 88 N 0.44 6.90 0.13 4.85 0.15 -1.26 0.32 113.70 125.23 1y9x s SER 88 Ca -0.10 2.11 0.07 0.00 0.70 0.00 0.00 55.95 58.72 1y9x s SER 88 Cb -0.13 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1y9x s SER 88 CO 0.03 -0.66 -0.15 0.42 1.20 0.00 0.00 173.24 174.08 1y9x s THR 89 N 1.94 1.48 -0.02 6.45 -4.23 0.46 -0.89 115.64 120.84 1y9x s THR 89 Ca 0.62 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.38 1y9x s THR 89 Cb -0.31 -1.62 0.01 0.00 1.34 0.00 0.00 72.50 71.92 1y9x s THR 89 CO 0.27 -0.37 -0.05 -0.51 -0.54 0.00 0.00 174.62 173.42 1y9x s ILE 90 N -2.07 0.46 -0.31 2.99 2.07 -0.24 -0.58 121.20 123.53 1y9x s ILE 90 Ca 0.11 -0.17 -0.04 0.00 -1.41 0.00 0.00 60.65 59.14 1y9x s ILE 90 Cb -0.05 -0.44 0.04 0.00 0.13 0.00 0.00 42.46 42.13 1y9x s ILE 90 CO 0.04 0.17 0.03 -1.61 -1.91 0.00 0.00 174.94 171.66 1y9x s GLU 91 N 0.37 2.61 -0.34 3.50 2.02 0.61 -1.67 118.70 125.79 1y9x s GLU 91 Ca -0.04 -1.16 -0.07 0.00 0.02 0.00 0.00 54.97 53.71 1y9x s GLU 91 Cb -0.08 -3.26 0.03 0.00 0.10 0.00 0.00 34.13 30.92 1y9x s GLU 91 CO -0.00 -0.59 0.12 0.42 0.02 0.00 0.00 175.26 175.23 1y9x s ILE 92 N 1.33 3.98 -0.16 -1.63 -1.09 0.57 -1.75 121.20 122.45 1y9x s ILE 92 Ca -0.03 -1.00 0.02 0.00 -2.23 0.00 0.00 60.65 57.40 1y9x s ILE 92 Cb -0.19 -3.22 0.02 0.00 -1.58 0.00 0.00 42.46 37.49 1y9x s ILE 92 CO 0.00 -0.15 -0.20 0.00 -1.23 0.00 0.00 174.94 173.36 1y9x s ALA 93 N 1.45 2.23 0.11 9.38 0.00 0.44 0.08 121.76 135.45 1y9x s ALA 93 Ca -0.00 -1.13 0.10 0.00 0.00 0.00 0.00 51.96 50.93 1y9x s ALA 93 Cb -0.19 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 1y9x s ALA 93 CO 0.04 -0.23 -0.24 0.96 0.00 0.00 0.00 175.76 176.28 1y9x s ILE 94 N 1.13 2.02 -0.09 0.00 -4.36 -1.02 -0.13 121.20 118.75 1y9x s ILE 94 Ca 0.00 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 58.79 1y9x s ILE 94 Cb -0.14 -1.79 0.01 0.00 1.25 0.00 0.00 42.46 41.79 1y9x s ILE 94 CO -0.08 0.06 -0.14 -0.60 0.24 0.00 0.00 174.94 174.41 1y9x s ARG 95 N -1.91 2.02 0.49 0.37 3.52 -0.75 -2.59 118.95 120.10 1y9x s ARG 95 Ca 0.11 -0.50 -0.19 0.00 -0.13 0.00 0.00 55.73 55.02 1y9x s ARG 95 Cb -0.10 -1.69 -0.08 0.00 -1.56 0.00 0.00 34.95 31.52 1y9x s ARG 95 CO 0.05 -0.01 1.00 0.21 -0.81 0.00 0.00 175.30 175.74 1y9x s LYS 96 N 0.83 3.88 0.00 5.12 2.47 0.43 -3.11 119.74 129.37 1y9x s LYS 96 Ca -0.11 1.16 0.00 0.00 -1.56 0.00 0.00 55.97 55.46 1y9x s LYS 96 Cb -0.15 -2.12 0.00 0.00 -1.46 0.00 0.00 37.83 34.10 1y9x s LYS 96 CO 0.01 -0.34 0.26 1.63 0.16 0.00 0.00 175.35 177.08