#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 0.29 -4.03 7.83 7.64 -1.26 -4.94 113.62 119.15 1y9x n SER 2 Ca 0.00 0.12 -0.08 0.00 1.01 0.00 0.00 58.87 59.92 1y9x n SER 2 Cb 0.00 1.32 -0.11 0.00 -1.01 0.00 0.00 64.21 64.41 1y9x n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1y9x s SER 3 N -4.97 0.36 0.00 6.43 0.01 -1.26 -5.12 113.70 109.16 1y9x s SER 3 Ca -0.06 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1y9x s SER 3 Cb 0.11 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1y9x s SER 3 CO 0.86 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.68 1y9x n GLY 4 N 0.91 3.28 0.13 3.44 0.00 -1.26 -5.01 105.19 106.67 1y9x n GLY 4 Ca -0.19 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1y9x n GLY 4 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y9x n THR 5 N 0.00 1.58 0.51 2.61 -2.24 -1.26 -4.45 114.28 111.02 1y9x n THR 5 Ca 0.00 -0.32 -0.01 0.00 -2.27 0.00 0.00 64.05 61.45 1y9x n THR 5 Cb 0.00 -1.85 0.08 0.00 -2.10 0.00 0.00 70.33 66.46 1y9x n THR 5 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1y9x n PRO 6 N -4.04 1.75 -2.44 -0.78 -0.05 -1.26 -4.89 135.00 123.29 1y9x n PRO 6 Ca -0.41 -0.77 -0.42 0.00 -0.05 0.00 0.00 63.50 61.86 1y9x n PRO 6 Cb 0.85 -1.56 -0.03 0.00 -0.05 0.00 0.00 33.50 32.71 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 -1.23 4.00 0.06 0.52 -4.23 -1.26 -4.96 115.64 108.53 1y9x s THR 7 Ca 0.14 1.48 -0.30 0.00 -1.18 0.00 0.00 61.69 61.83 1y9x s THR 7 Cb 0.11 -3.95 -0.09 0.00 1.34 0.00 0.00 72.50 69.91 1y9x s THR 7 CO 0.04 0.14 1.85 -2.16 -0.54 0.00 0.00 174.62 173.94 1y9x s PRO 8 N 0.77 4.15 0.00 3.99 0.04 -1.26 -4.77 135.00 137.91 1y9x s PRO 8 Ca 0.57 2.53 0.00 0.00 0.04 0.00 0.00 61.00 64.13 1y9x s PRO 8 Cb -0.29 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1y9x s PRO 8 CO 0.31 -0.88 0.00 0.45 0.04 0.00 0.00 177.00 176.92 1y9x n SER 9 N 6.59 0.00 0.00 6.66 2.88 -1.26 -5.03 113.62 123.46 1y9x n SER 9 Ca 0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1y9x n SER 9 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1y9x n SER 9 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1y9x n ASN 10 N -0.71 0.00 -4.46 -3.46 0.23 -1.26 -5.05 115.26 100.55 1y9x n ASN 10 Ca 0.00 -1.00 -0.40 0.00 -0.53 0.00 0.00 54.58 52.65 1y9x n ASN 10 Cb 0.00 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 1y9x n ASN 10 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1y9x s VAL 11 N 0.00 4.95 -0.14 3.53 1.01 -1.26 -2.84 120.40 125.65 1y9x s VAL 11 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1y9x s VAL 11 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1y9x s VAL 11 CO 0.00 -0.10 0.08 0.68 0.00 0.00 0.00 175.10 175.76 1y9x s VAL 12 N 1.65 4.97 -0.29 2.92 -7.23 -1.07 -4.98 120.40 116.37 1y9x s VAL 12 Ca 0.05 0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.11 1y9x s VAL 12 Cb -0.18 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.53 1y9x s VAL 12 CO 0.08 0.54 0.25 -0.76 -0.31 0.00 0.00 175.10 174.91 1y9x s LEU 13 N -0.37 4.09 -0.32 1.32 2.01 -1.26 -1.10 118.68 123.07 1y9x s LEU 13 Ca 0.10 0.02 -0.20 0.00 0.01 0.00 0.00 54.13 54.05 1y9x s LEU 13 Cb -0.12 -2.21 -0.01 0.00 0.01 0.00 0.00 46.19 43.86 1y9x s LEU 13 CO 0.02 -0.12 0.63 -0.63 1.01 0.00 0.00 176.35 177.25 1y9x s ILE 14 N 1.85 4.92 0.00 -0.59 1.01 -0.37 -4.72 121.20 123.31 1y9x s ILE 14 Ca 0.09 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.50 1y9x s ILE 14 Cb -0.16 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1y9x s ILE 14 CO 0.11 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.46 1y9x n GLY 15 N 4.51 0.00 2.02 6.18 0.00 -1.26 -3.50 105.19 113.15 1y9x n GLY 15 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.96 1.61 4.81 -1.26 -5.13 118.16 114.22 1y9x n LYS 16 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 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 3.44 0.81 1.64 1.02 -1.26 -5.09 119.74 118.30 1y9x s LYS 17 Ca 0.00 -0.74 -0.14 0.00 0.02 0.00 0.00 55.97 55.12 1y9x s LYS 17 Cb 0.00 -2.90 0.07 0.00 -0.52 0.00 0.00 37.83 34.48 1y9x s LYS 17 CO 0.00 0.44 1.07 -2.30 -0.92 0.00 0.00 175.35 173.64 1y9x n PRO 18 N -1.30 0.15 -0.27 -1.68 -0.02 -1.26 -4.88 135.00 125.74 1y9x n PRO 18 Ca -0.09 0.12 0.19 0.00 -2.02 0.00 0.00 63.50 61.71 1y9x n PRO 18 Cb 0.57 -2.33 0.48 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.91 0.66 0.00 -1.45 3.04 -1.98 0.71 116.25 116.32 1y9x h VAL 19 Ca -0.46 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.05 1y9x h VAL 19 Cb 1.30 0.16 -0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1y9x h VAL 19 CO 0.45 0.08 -0.10 0.00 -1.01 0.00 0.00 177.57 176.99 1y9x h MET 20 N 0.46 0.00 0.00 4.17 -0.00 -1.98 -0.96 114.93 116.61 1y9x h MET 20 Ca 0.51 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 60.09 1y9x h MET 20 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.78 1y9x h MET 20 CO -0.22 0.10 -0.54 -0.91 -0.00 0.00 0.00 176.91 175.33 1y9x h ASN 21 N 0.00 0.00 0.63 -0.10 -0.26 -1.19 -2.87 115.58 111.79 1y9x h ASN 21 Ca -0.00 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.47 1y9x h ASN 21 Cb 0.28 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.52 1y9x h ASN 21 CO 0.01 0.54 -1.39 1.88 -1.06 0.00 0.00 177.43 177.42 1y9x h TYR 22 N 0.00 0.24 0.26 1.19 0.05 -1.26 -2.61 116.97 114.85 1y9x h TYR 22 Ca -0.01 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.59 1y9x h TYR 22 Cb 1.09 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.82 1y9x h TYR 22 CO 0.00 1.20 -0.14 0.28 -1.05 0.00 0.00 178.16 178.45 1y9x h VAL 23 N 0.04 0.72 -0.00 -2.88 2.07 -1.36 -0.87 116.25 113.96 1y9x h VAL 23 Ca -0.18 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1y9x h VAL 23 Cb 1.94 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1y9x h VAL 23 CO 0.14 0.00 -0.35 -0.07 0.02 0.00 0.00 177.57 177.32 1y9x h LEU 24 N -0.37 0.00 -0.14 2.57 4.07 -1.62 -2.14 115.31 117.68 1y9x h LEU 24 Ca -0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 1y9x h LEU 24 Cb 0.29 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 1y9x h LEU 24 CO 0.05 0.35 0.03 0.00 -1.08 0.00 0.00 178.44 177.78 1y9x h ALA 25 N 1.65 0.19 -0.67 1.53 0.00 -1.10 -0.36 119.26 120.51 1y9x h ALA 25 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1y9x h ALA 25 Cb 0.61 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1y9x h ALA 25 CO 0.04 -0.16 0.41 0.00 0.00 0.00 0.00 179.25 179.55 1y9x h ALA 26 N 0.82 0.85 -0.65 0.00 0.00 -0.92 -0.74 119.26 118.63 1y9x h ALA 26 Ca 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1y9x h ALA 26 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1y9x h ALA 26 CO 0.00 0.32 0.30 -0.07 0.00 0.00 0.00 179.25 179.80 1y9x h LEU 27 N 0.91 0.85 -0.86 0.00 3.38 -1.27 -1.15 115.31 117.18 1y9x h LEU 27 Ca 0.24 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1y9x h LEU 27 Cb -0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1y9x h LEU 27 CO -0.05 0.75 -0.15 0.74 0.09 0.00 0.00 178.44 179.83 1y9x h THR 28 N 0.89 1.26 0.00 0.22 2.02 -0.61 -2.50 112.91 114.19 1y9x h THR 28 Ca 0.22 -1.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.13 1y9x h THR 28 Cb 0.13 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1y9x h THR 28 CO -0.03 0.40 -0.45 -0.07 0.37 0.00 0.00 175.52 175.74 1y9x h LEU 29 N 0.62 0.00 -0.89 2.58 3.38 -0.76 -2.62 115.31 117.62 1y9x h LEU 29 Ca 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1y9x h LEU 29 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1y9x h LEU 29 CO 0.04 0.45 -0.06 0.25 0.09 0.00 0.00 178.44 179.21 1y9x h LEU 30 N 0.00 0.74 -2.02 1.67 7.12 -0.77 -1.26 115.31 120.78 1y9x h LEU 30 Ca -0.00 -0.20 0.00 0.00 0.13 0.00 0.00 57.88 57.81 1y9x h LEU 30 Cb 0.94 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.87 1y9x h LEU 30 CO 0.06 0.84 0.00 0.78 -0.13 0.00 0.00 178.44 179.99 1y9x h ASN 31 N 0.70 0.00 0.40 1.25 4.21 -1.23 -1.93 115.58 118.98 1y9x h ASN 31 Ca 0.13 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1y9x h ASN 31 Cb 0.51 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1y9x h ASN 31 CO 0.03 0.00 -0.16 0.00 -1.29 0.00 0.00 177.43 176.01 1y9x n GLN 32 N -3.00 0.60 0.00 0.81 1.13 -0.49 -4.90 117.38 111.53 1y9x n GLN 32 Ca -0.01 -0.23 0.00 0.00 -1.94 0.00 0.00 57.00 54.82 1y9x n GLN 32 Cb 0.20 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.05 1y9x n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1y9x n GLY 33 N 1.32 0.52 3.45 1.08 0.00 -0.72 -5.04 105.19 105.80 1y9x n GLY 33 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 4.42 -0.14 1.61 1.01 -1.16 -4.84 120.40 119.31 1y9x s VAL 34 Ca 0.00 -0.40 0.17 0.00 0.00 0.00 0.00 61.98 61.75 1y9x s VAL 34 Cb 0.00 -4.63 -0.07 0.00 0.00 0.00 0.00 36.38 31.68 1y9x s VAL 34 CO 0.00 -1.35 1.01 0.77 0.00 0.00 0.00 175.10 175.53 1y9x h SER 35 N 9.47 0.00 -3.57 3.32 4.64 -1.86 -3.34 113.55 122.21 1y9x h SER 35 Ca -0.29 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.34 1y9x h SER 35 Cb 1.07 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.85 1y9x h SER 35 CO 1.15 0.52 -0.56 -0.70 -0.87 0.00 0.00 176.83 176.37 1y9x s GLU 36 N -2.96 2.38 0.29 4.77 2.12 -1.26 -0.63 118.70 123.41 1y9x s GLU 36 Ca -0.01 -1.49 0.09 0.00 0.36 0.00 0.00 54.97 53.92 1y9x s GLU 36 Cb 0.08 -3.54 -0.06 0.00 0.26 0.00 0.00 34.13 30.88 1y9x s GLU 36 CO 0.79 -0.87 -0.11 0.96 -0.54 0.00 0.00 175.26 175.49 1y9x s ILE 37 N 1.30 1.98 -0.12 -3.70 -0.00 -0.81 -5.01 121.20 114.84 1y9x s ILE 37 Ca 0.02 -2.21 0.01 0.00 -0.00 0.00 0.00 60.65 58.47 1y9x s ILE 37 Cb -0.22 -2.43 0.02 0.00 -0.00 0.00 0.00 42.46 39.83 1y9x s ILE 37 CO -0.00 -0.33 -0.12 -0.69 -0.00 0.00 0.00 174.94 173.80 1y9x s VAL 38 N -2.80 1.32 -0.20 8.37 1.01 -1.13 -2.25 120.40 124.72 1y9x s VAL 38 Ca 0.30 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 1y9x s VAL 38 Cb 0.01 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 1y9x s VAL 38 CO 0.13 0.41 0.12 -0.63 0.00 0.00 0.00 175.10 175.13 1y9x s ILE 39 N 1.36 5.20 -0.11 2.22 1.01 0.68 -2.61 121.20 128.94 1y9x s ILE 39 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1y9x s ILE 39 Cb -0.14 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 38.98 1y9x s ILE 39 CO -0.06 0.42 -0.12 -0.54 0.00 0.00 0.00 174.94 174.65 1y9x s LYS 40 N 0.54 1.87 0.09 2.79 1.02 -0.25 -0.87 119.74 124.93 1y9x s LYS 40 Ca 0.06 -0.42 0.09 0.00 0.02 0.00 0.00 55.97 55.72 1y9x s LYS 40 Cb -0.12 -1.72 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 1y9x s LYS 40 CO 0.00 -0.15 -0.19 0.00 -0.92 0.00 0.00 175.35 174.09 1y9x s ALA 41 N 1.28 2.61 0.06 5.17 0.00 -0.97 -1.24 121.76 128.67 1y9x s ALA 41 Ca -0.02 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 50.69 1y9x s ALA 41 Cb -0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1y9x s ALA 41 CO -0.05 0.58 -0.17 1.03 0.00 0.00 0.00 175.76 177.16 1y9x s ARG 42 N -1.87 1.02 5.15 0.00 0.52 -1.23 -1.55 118.95 120.98 1y9x s ARG 42 Ca 0.16 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 1y9x s ARG 42 Cb -0.10 -1.10 0.00 0.00 0.52 0.00 0.00 34.95 34.27 1y9x s ARG 42 CO 0.08 0.26 0.00 0.41 0.02 0.00 0.00 175.30 176.07 1y9x n GLY 43 N 1.56 0.77 0.65 -3.53 0.00 0.14 -2.87 105.19 101.91 1y9x n GLY 43 Ca -0.19 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.14 1y9x n GLY 43 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1y9x n ARG 44 N 12.31 1.82 0.00 1.61 1.85 -1.26 -3.68 116.66 129.31 1y9x n ARG 44 Ca 0.00 -1.27 0.15 0.00 -1.00 0.00 0.00 57.85 55.72 1y9x n ARG 44 Cb 0.00 -1.28 0.69 0.00 -1.05 0.00 0.00 32.46 30.82 1y9x n ARG 44 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1y9x n ALA 45 N 0.53 2.69 -0.25 2.89 0.00 -1.14 -3.73 120.51 121.51 1y9x n ALA 45 Ca 0.12 -0.28 0.15 0.00 0.00 0.00 0.00 53.44 53.43 1y9x n ALA 45 Cb 0.30 -1.36 0.43 0.00 0.00 0.00 0.00 19.45 18.83 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 0.74 0.77 0.00 0.00 2.04 -1.78 0.27 117.51 119.55 1y9x h ILE 46 Ca 0.00 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1y9x h ILE 46 Cb 0.29 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1y9x h ILE 46 CO 0.00 0.10 -0.07 -1.28 0.00 0.00 0.00 178.15 176.90 1y9x h SER 47 N 0.57 0.00 0.95 1.72 0.87 -1.90 -1.93 113.55 113.83 1y9x h SER 47 Ca 0.45 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.82 1y9x h SER 47 Cb 0.90 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 1y9x h SER 47 CO -0.20 0.07 -1.12 0.11 -0.53 0.00 0.00 176.83 175.16 1y9x h LYS 48 N 0.00 0.00 -0.45 2.24 1.57 -1.21 -3.09 116.57 115.62 1y9x h LYS 48 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1y9x h LYS 48 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1y9x h LYS 48 CO 0.01 0.60 0.12 0.00 -0.57 0.00 0.00 179.45 179.61 1y9x h ALA 49 N 1.22 0.60 0.00 3.86 0.00 -1.20 0.21 119.26 123.94 1y9x h ALA 49 Ca -0.10 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1y9x h ALA 49 Cb 1.68 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1y9x h ALA 49 CO 0.08 0.27 -0.63 -0.24 0.00 0.00 0.00 179.25 178.74 1y9x h VAL 50 N 0.60 1.38 -0.18 0.00 3.04 -1.65 -2.64 116.25 116.80 1y9x h VAL 50 Ca 0.14 -2.19 -0.11 0.00 -1.01 0.00 0.00 66.70 63.53 1y9x h VAL 50 Cb 0.31 2.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 1y9x h VAL 50 CO 0.00 0.61 -0.33 -0.78 -1.01 0.00 0.00 177.57 176.06 1y9x h ASP 51 N 0.00 0.60 -0.05 3.17 1.82 -1.37 -1.54 116.42 119.05 1y9x h ASP 51 Ca -0.01 -0.54 0.01 0.00 -0.39 0.00 0.00 57.03 56.10 1y9x h ASP 51 Cb 1.15 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 1y9x h ASP 51 CO 0.08 1.03 -0.03 0.74 -1.61 0.00 0.00 179.24 179.45 1y9x h THR 52 N 0.18 0.91 0.00 2.25 2.02 -0.54 -1.01 112.91 116.73 1y9x h THR 52 Ca 0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 1y9x h THR 52 Cb 0.92 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1y9x h THR 52 CO 0.07 0.00 -0.34 -0.37 0.37 0.00 0.00 175.52 175.25 1y9x h VAL 53 N -0.03 1.11 0.03 3.16 -1.51 -1.48 -2.13 116.25 115.39 1y9x h VAL 53 Ca 0.03 -1.22 -0.00 0.00 -1.23 0.00 0.00 66.70 64.28 1y9x h VAL 53 Cb 0.07 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1y9x h VAL 53 CO -0.06 0.33 -0.01 -0.08 -1.23 0.00 0.00 177.57 176.52 1y9x h GLU 54 N 0.00 -0.03 -0.60 5.19 4.22 -0.62 -2.56 114.58 120.17 1y9x h GLU 54 Ca -0.00 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.46 1y9x h GLU 54 Cb 0.65 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1y9x h GLU 54 CO 0.04 0.14 0.38 0.82 -2.18 0.00 0.00 179.01 178.21 1y9x h ILE 55 N -0.20 1.09 -0.57 2.32 2.04 -0.85 -1.71 117.51 119.64 1y9x h ILE 55 Ca -0.00 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1y9x h ILE 55 Cb 0.19 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1y9x h ILE 55 CO 0.01 0.14 0.29 0.58 0.00 0.00 0.00 178.15 179.17 1y9x h VAL 56 N 0.75 1.18 -0.02 1.67 2.07 -1.31 -1.66 116.25 118.93 1y9x h VAL 56 Ca 0.24 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1y9x h VAL 56 Cb -0.01 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1y9x h VAL 56 CO -0.09 0.20 -0.17 -2.11 0.02 0.00 0.00 177.57 175.43 1y9x n ARG 57 N -4.38 1.45 -0.03 1.57 1.85 -0.97 -3.18 116.66 112.97 1y9x n ARG 57 Ca 0.05 -1.01 0.02 0.00 -1.00 0.00 0.00 57.85 55.91 1y9x n ARG 57 Cb 0.11 -1.48 0.02 0.00 -1.05 0.00 0.00 32.46 30.06 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 0.11 1.68 0.00 2.89 5.15 -0.68 -4.00 115.26 120.41 1y9x n ASN 58 Ca 0.14 -2.04 0.00 0.00 -0.60 0.00 0.00 54.58 52.08 1y9x n ASN 58 Cb 0.42 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 1y9x n ASN 58 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1y9x n ARG 59 N -0.57 0.00 -0.02 1.20 0.63 -0.66 -4.99 116.66 112.24 1y9x n ARG 59 Ca 0.03 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.95 1y9x n ARG 59 Cb 0.37 -0.16 -0.00 0.00 0.45 0.00 0.00 32.46 33.13 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 0.00 0.00 -2.77 -0.14 3.57 -1.73 -3.47 116.94 112.40 1y9x h PHE 60 Ca 0.00 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 1y9x h PHE 60 Cb 0.31 0.00 -0.35 0.00 2.79 0.00 0.00 35.95 38.69 1y9x h PHE 60 CO 0.00 0.00 -0.61 -0.51 -2.23 0.00 0.00 178.31 174.96 1y9x s LEU 61 N -5.76 -0.13 -0.16 0.59 1.43 -1.25 -5.01 118.68 108.39 1y9x s LEU 61 Ca -0.03 0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1y9x s LEU 61 Cb 0.00 0.41 -0.23 0.00 0.03 0.00 0.00 46.19 46.40 1y9x s LEU 61 CO 0.05 -0.28 0.19 0.00 0.23 0.00 0.00 176.35 176.53 1y9x n ALA 62 N 5.33 1.37 0.29 4.21 0.00 -1.26 -4.26 120.51 126.19 1y9x n ALA 62 Ca -0.05 -1.01 0.14 0.00 0.00 0.00 0.00 53.44 52.51 1y9x n ALA 62 Cb 0.50 -0.41 0.37 0.00 0.00 0.00 0.00 19.45 19.91 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 0.01 0.00 -2.28 0.00 5.19 -1.95 -3.36 116.42 114.04 1y9x h ASP 63 Ca -0.47 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.34 1y9x h ASP 63 Cb 2.07 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 41.17 1y9x h ASP 63 CO 0.02 0.00 -0.70 0.29 -3.12 0.00 0.00 179.24 175.73 1y9x n LYS 64 N -2.97 2.00 -3.51 3.56 5.02 -1.26 -5.03 118.16 115.96 1y9x n LYS 64 Ca 0.03 -4.31 -0.15 0.00 -2.02 0.00 0.00 58.31 51.86 1y9x n LYS 64 Cb 0.43 -2.04 -0.05 0.00 -0.02 0.00 0.00 35.03 33.36 1y9x n LYS 64 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1y9x s ILE 65 N -2.00 0.00 0.03 -0.18 2.07 -1.26 -4.41 121.20 115.46 1y9x s ILE 65 Ca 0.37 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.59 1y9x s ILE 65 Cb 0.12 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.69 1y9x s ILE 65 CO -0.06 0.00 -0.00 -0.70 -1.91 0.00 0.00 174.94 172.27 1y9x s GLU 66 N -1.75 0.47 -0.14 3.50 2.56 -0.52 -5.04 118.70 117.79 1y9x s GLU 66 Ca -0.06 -0.84 -0.08 0.00 0.00 0.00 0.00 54.97 53.98 1y9x s GLU 66 Cb -0.00 0.17 -0.04 0.00 2.00 0.00 0.00 34.13 36.25 1y9x s GLU 66 CO 0.03 -0.09 0.15 0.42 -0.56 0.00 0.00 175.26 175.21 1y9x s ILE 67 N -2.51 5.46 -0.15 -3.70 1.01 -1.26 -1.11 121.20 118.93 1y9x s ILE 67 Ca -0.06 0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.72 1y9x s ILE 67 Cb -0.02 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 1y9x s ILE 67 CO -0.05 0.55 -0.12 0.50 0.00 0.00 0.00 174.94 175.82 1y9x h LYS 68 N 5.56 0.00 -1.76 2.79 3.64 -1.34 -3.47 116.57 121.99 1y9x h LYS 68 Ca -0.50 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1y9x h LYS 68 Cb 1.20 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.81 1y9x h LYS 68 CO 0.64 0.13 0.45 -2.00 -2.27 0.00 0.00 179.45 176.41 1y9x s GLU 69 N -2.25 0.74 -0.04 1.90 2.56 -1.12 -5.04 118.70 115.44 1y9x s GLU 69 Ca -0.16 0.11 -0.02 0.00 0.00 0.00 0.00 54.97 54.90 1y9x s GLU 69 Cb 0.03 0.35 0.03 0.00 2.00 0.00 0.00 34.13 36.53 1y9x s GLU 69 CO 0.26 -0.24 0.08 0.42 -0.56 0.00 0.00 175.26 175.22 1y9x s ILE 70 N -1.40 -0.12 0.03 -3.70 1.01 -1.26 -1.22 121.20 114.53 1y9x s ILE 70 Ca -0.03 0.36 0.04 0.00 0.00 0.00 0.00 60.65 61.01 1y9x s ILE 70 Cb -0.00 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.28 1y9x s ILE 70 CO 0.02 0.15 -0.11 -0.13 0.00 0.00 0.00 174.94 174.87 1y9x s ARG 71 N 1.89 0.78 -0.04 2.79 0.52 -0.43 -5.02 118.95 119.44 1y9x s ARG 71 Ca 0.01 -0.65 -0.06 0.00 -0.52 0.00 0.00 55.73 54.50 1y9x s ARG 71 Cb -0.12 -0.73 0.01 0.00 0.52 0.00 0.00 34.95 34.63 1y9x s ARG 71 CO -0.04 0.18 0.16 0.54 0.02 0.00 0.00 175.30 176.16 1y9x s VAL 72 N -0.81 0.03 0.00 3.52 0.11 -1.26 -0.34 120.40 121.65 1y9x s VAL 72 Ca -0.01 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 1y9x s VAL 72 Cb -0.07 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 1y9x s VAL 72 CO 0.01 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.27 1y9x n GLY 73 N 2.51 0.80 3.54 6.54 0.00 -0.53 -5.03 105.19 113.02 1y9x n GLY 73 Ca -0.16 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1y9x n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y9x s SER 74 N 2.00 4.67 -0.10 1.61 1.04 -1.26 -0.39 113.70 121.27 1y9x s SER 74 Ca 0.00 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.39 1y9x s SER 74 Cb 0.00 -1.43 -0.00 0.00 0.10 0.00 0.00 66.02 64.68 1y9x s SER 74 CO 0.00 0.28 -0.23 -1.58 0.98 0.00 0.00 173.24 172.69 1y9x s GLN 75 N -0.31 3.06 -0.42 4.02 0.74 0.89 -4.90 119.66 122.74 1y9x s GLN 75 Ca 0.05 -0.86 -0.17 0.00 0.05 0.00 0.00 55.36 54.43 1y9x s GLN 75 Cb -0.13 -2.33 0.02 0.00 1.10 0.00 0.00 33.01 31.68 1y9x s GLN 75 CO 0.02 0.19 0.41 0.08 -0.55 0.00 0.00 175.29 175.45 1y9x s VAL 76 N 0.32 5.12 0.14 1.34 1.01 -1.26 -0.70 120.40 126.37 1y9x s VAL 76 Ca -0.17 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.43 1y9x s VAL 76 Cb -0.18 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1y9x s VAL 76 CO 0.08 -0.40 0.11 0.68 0.00 0.00 0.00 175.10 175.58 1y9x s VAL 77 N 2.04 4.47 -0.22 2.92 -7.23 0.90 -4.90 120.40 118.39 1y9x s VAL 77 Ca 0.11 -1.00 -0.06 0.00 -1.81 0.00 0.00 61.98 59.21 1y9x s VAL 77 Cb -0.17 -3.24 -0.03 0.00 0.56 0.00 0.00 36.38 33.49 1y9x s VAL 77 CO 0.13 -0.04 0.04 -0.89 -0.31 0.00 0.00 175.10 174.03 1y9x s THR 78 N -1.64 4.27 -0.05 5.32 2.01 -1.26 -0.36 115.64 123.92 1y9x s THR 78 Ca 0.30 -0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.19 1y9x s THR 78 Cb -0.11 -2.96 -0.24 0.00 0.01 0.00 0.00 72.50 69.21 1y9x s THR 78 CO 0.23 0.39 0.63 0.28 -0.69 0.00 0.00 174.62 175.46 1y9x h SER 79 N 7.69 0.08 -0.01 3.53 0.02 -0.97 -3.49 113.55 120.39 1y9x h SER 79 Ca -0.37 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1y9x h SER 79 Cb 1.18 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1y9x h SER 79 CO 0.61 1.16 0.00 0.00 -1.14 0.00 0.00 176.83 177.46 1y9x n GLN 80 N -3.14 0.54 0.08 3.45 1.13 -1.24 -5.00 117.38 113.21 1y9x n GLN 80 Ca -0.19 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.77 1y9x n GLN 80 Cb 1.05 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 31.35 1y9x n GLN 80 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1y9x h ASP 81 N 0.00 0.28 -0.40 1.08 5.19 -2.05 -3.36 116.42 117.16 1y9x h ASP 81 Ca 0.00 -0.25 -0.24 0.00 -0.62 0.00 0.00 57.03 55.92 1y9x h ASP 81 Cb 0.00 -0.09 -0.33 0.00 0.18 0.00 0.00 39.33 39.09 1y9x h ASP 81 CO 0.00 1.09 -0.91 0.61 -3.12 0.00 0.00 179.24 176.91 1y9x n GLY 82 N 1.06 1.77 2.92 2.75 0.00 -1.26 -5.05 105.19 107.39 1y9x n GLY 82 Ca -0.04 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 1y9x n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y9x s ARG 83 N -2.66 1.41 0.22 1.61 0.52 -1.26 -5.06 118.95 113.73 1y9x s ARG 83 Ca 0.23 -1.25 -0.06 0.00 -0.52 0.00 0.00 55.73 54.13 1y9x s ARG 83 Cb 0.37 -2.63 -0.06 0.00 0.52 0.00 0.00 34.95 33.15 1y9x s ARG 83 CO -0.05 -0.77 0.48 -0.65 0.02 0.00 0.00 175.30 174.34 1y9x s GLN 84 N 1.30 3.67 -0.12 3.54 -0.21 -1.26 -0.25 119.66 126.33 1y9x s GLN 84 Ca 0.02 0.02 -0.10 0.00 0.02 0.00 0.00 55.36 55.32 1y9x s GLN 84 Cb -0.19 -2.73 0.03 0.00 1.00 0.00 0.00 33.01 31.13 1y9x s GLN 84 CO -0.11 0.34 0.31 0.45 -2.12 0.00 0.00 175.29 174.16 1y9x s SER 85 N -2.71 -0.33 -0.26 5.90 0.15 0.51 -4.90 113.70 112.05 1y9x s SER 85 Ca 0.43 0.63 -0.05 0.00 0.70 0.00 0.00 55.95 57.67 1y9x s SER 85 Cb -0.11 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1y9x s SER 85 CO 0.26 -0.12 0.03 -0.60 1.20 0.00 0.00 173.24 174.00 1y9x s ARG 86 N 0.37 3.21 -0.01 5.44 3.52 -1.26 -0.07 118.95 130.15 1y9x s ARG 86 Ca -0.02 -0.76 0.08 0.00 -0.13 0.00 0.00 55.73 54.90 1y9x s ARG 86 Cb -0.03 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.12 1y9x s ARG 86 CO -0.02 -0.34 -0.24 0.08 -0.81 0.00 0.00 175.30 173.98 1y9x s VAL 87 N 1.48 1.91 0.10 7.11 1.01 0.13 -4.93 120.40 127.21 1y9x s VAL 87 Ca 0.04 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 60.62 1y9x s VAL 87 Cb -0.16 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 1y9x s VAL 87 CO 0.00 0.49 1.23 -0.44 0.00 0.00 0.00 175.10 176.38 1y9x s SER 88 N -0.70 7.04 0.04 3.32 0.01 -1.26 -0.07 113.70 122.07 1y9x s SER 88 Ca 0.09 2.11 0.04 0.00 1.31 0.00 0.00 55.95 59.51 1y9x s SER 88 Cb -0.09 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 1y9x s SER 88 CO -0.00 -0.48 -0.12 0.42 0.41 0.00 0.00 173.24 173.47 1y9x s THR 89 N 0.83 0.91 -0.02 1.44 -4.23 0.47 -0.69 115.64 114.36 1y9x s THR 89 Ca 0.58 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.12 1y9x s THR 89 Cb -0.31 -0.87 -0.01 0.00 1.34 0.00 0.00 72.50 72.65 1y9x s THR 89 CO 0.31 -0.12 -0.13 -0.51 -0.54 0.00 0.00 174.62 173.63 1y9x s ILE 90 N -0.99 1.05 -0.26 2.99 2.07 -0.60 -1.45 121.20 124.01 1y9x s ILE 90 Ca -0.02 -0.54 0.02 0.00 -1.41 0.00 0.00 60.65 58.71 1y9x s ILE 90 Cb -0.08 -0.89 0.06 0.00 0.13 0.00 0.00 42.46 41.68 1y9x s ILE 90 CO 0.01 0.30 -0.09 -1.61 -1.91 0.00 0.00 174.94 171.65 1y9x s GLU 91 N -0.11 2.04 -0.18 3.50 2.02 0.54 -2.28 118.70 124.22 1y9x s GLU 91 Ca 0.01 -1.29 -0.02 0.00 0.02 0.00 0.00 54.97 53.69 1y9x s GLU 91 Cb -0.07 -2.83 -0.01 0.00 0.10 0.00 0.00 34.13 31.32 1y9x s GLU 91 CO 0.00 -0.60 -0.08 0.42 0.02 0.00 0.00 175.26 175.03 1y9x s ILE 92 N 1.17 3.27 -0.18 -1.63 1.01 -0.05 -1.31 121.20 123.48 1y9x s ILE 92 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1y9x s ILE 92 Cb -0.20 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1y9x s ILE 92 CO -0.06 0.47 -0.18 0.00 0.00 0.00 0.00 174.94 175.17 1y9x s ALA 93 N 0.99 2.39 0.11 9.38 0.00 -0.36 -0.23 121.76 134.04 1y9x s ALA 93 Ca -0.01 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 50.83 1y9x s ALA 93 Cb -0.15 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1y9x s ALA 93 CO -0.00 -0.34 -0.20 0.96 0.00 0.00 0.00 175.76 176.18 1y9x s ILE 94 N 1.28 1.72 0.02 0.00 -4.36 -0.95 -0.89 121.20 118.01 1y9x s ILE 94 Ca 0.04 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1y9x s ILE 94 Cb -0.13 -1.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.95 1y9x s ILE 94 CO -0.11 -0.12 -0.04 0.00 0.24 0.00 0.00 174.94 174.91 1y9x s ARG 95 N -2.10 0.32 0.09 0.37 1.70 -0.27 -1.93 118.95 117.14 1y9x s ARG 95 Ca 0.08 -0.51 -0.00 0.00 -0.47 0.00 0.00 55.73 54.83 1y9x s ARG 95 Cb -0.09 -0.06 0.02 0.00 -0.57 0.00 0.00 34.95 34.25 1y9x s ARG 95 CO 0.05 -0.00 0.13 1.63 -1.08 0.00 0.00 175.30 176.02 1y9x n LYS 96 N 1.93 0.47 0.00 3.89 4.76 0.19 -1.44 118.16 127.98 1y9x n LYS 96 Ca -0.21 -0.34 0.13 0.00 -2.87 0.00 0.00 58.31 55.03 1y9x n LYS 96 Cb 0.56 -0.09 0.80 0.00 -1.84 0.00 0.00 35.03 34.46 1y9x n LYS 96 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39