#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9x s SER 2 N 0.00 6.50 0.02 7.83 0.15 -1.26 -4.95 113.70 121.99 1y9x s SER 2 Ca 0.00 0.78 -0.08 0.00 0.70 0.00 0.00 55.95 57.36 1y9x s SER 2 Cb 0.00 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1y9x s SER 2 CO 0.00 -1.30 0.14 -0.44 1.20 0.00 0.00 173.24 172.84 1y9x s SER 3 N 3.23 0.06 0.54 5.45 0.01 -1.26 -5.17 113.70 116.56 1y9x s SER 3 Ca 0.56 -0.32 0.06 0.00 1.31 0.00 0.00 55.95 57.56 1y9x s SER 3 Cb -0.12 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.38 1y9x s SER 3 CO 0.30 -0.45 0.44 -0.83 0.41 0.00 0.00 173.24 173.11 1y9x s GLY 4 N -1.73 2.30 -0.19 3.44 0.00 -1.26 -4.95 107.32 104.93 1y9x s GLY 4 Ca -0.10 -1.38 -0.07 0.00 0.00 0.00 0.00 44.72 43.18 1y9x s GLY 4 CO -0.01 -1.91 0.14 -1.30 0.00 0.00 0.00 173.10 170.02 1y9x n THR 5 N -1.79-10.54 -1.72 0.90 -2.24 -1.26 -4.88 114.28 92.74 1y9x n THR 5 Ca 0.00 2.05 -0.42 0.00 -2.27 0.00 0.00 64.05 63.41 1y9x n THR 5 Cb 0.64 -5.94 -0.03 0.00 -2.10 0.00 0.00 70.33 62.90 1y9x n THR 5 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1y9x s PRO 6 N -0.88 4.12 0.11 -0.78 0.02 -1.26 -4.99 135.00 131.34 1y9x s PRO 6 Ca -0.16 2.62 -0.20 0.00 0.02 0.00 0.00 61.00 63.29 1y9x s PRO 6 Cb 0.01 -3.07 -0.07 0.00 0.02 0.00 0.00 34.50 31.39 1y9x s PRO 6 CO 0.65 -0.75 0.61 -0.08 -0.33 0.00 0.00 177.00 177.10 1y9x s THR 7 N 1.12 4.68 1.22 0.99 -1.32 -1.26 -5.08 115.64 115.99 1y9x s THR 7 Ca 0.74 1.24 -0.20 0.00 -1.21 0.00 0.00 61.69 62.27 1y9x s THR 7 Cb -0.50 -3.91 0.29 0.00 -1.51 0.00 0.00 72.50 66.88 1y9x s THR 7 CO 0.33 0.47 1.10 -2.84 -2.21 0.00 0.00 174.62 171.47 1y9x s PRO 8 N -1.33 -1.38 -1.29 7.08 0.02 -1.26 -4.88 135.00 131.95 1y9x s PRO 8 Ca 0.33 -0.08 -0.18 0.00 0.02 0.00 0.00 61.00 61.08 1y9x s PRO 8 Cb -0.19 -1.58 0.04 0.00 0.02 0.00 0.00 34.50 32.79 1y9x s PRO 8 CO 0.20 -3.81 1.82 0.43 -0.33 0.00 0.00 177.00 175.31 1y9x n SER 9 N -4.83 4.53 -0.07 2.53 7.64 -1.26 -4.18 113.62 117.99 1y9x n SER 9 Ca 0.14 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1y9x n SER 9 Cb 0.60 -1.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 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 8.94 0.00 -4.16 6.43 6.94 -1.26 -5.06 115.26 127.10 1y9x n ASN 10 Ca 0.49 -1.13 -0.32 0.00 -0.02 0.00 0.00 54.58 53.59 1y9x n ASN 10 Cb 0.45 -0.03 -0.16 0.00 -2.36 0.00 0.00 39.78 37.68 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 0.00 2.02 0.12 3.53 1.01 -1.26 -0.24 120.40 125.58 1y9x s VAL 11 Ca 0.00 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.13 1y9x s VAL 11 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1y9x s VAL 11 CO 0.00 0.54 -0.24 0.68 0.00 0.00 0.00 175.10 176.08 1y9x s VAL 12 N 0.86 2.43 -0.22 2.92 -7.23 -0.46 -5.00 120.40 113.70 1y9x s VAL 12 Ca -0.06 -1.64 -0.07 0.00 -1.81 0.00 0.00 61.98 58.40 1y9x s VAL 12 Cb -0.15 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1y9x s VAL 12 CO -0.03 0.12 0.06 -0.76 -0.31 0.00 0.00 175.10 174.18 1y9x s LEU 13 N -2.00 3.51 -0.66 1.32 2.01 -1.26 -0.55 118.68 121.05 1y9x s LEU 13 Ca 0.15 -0.13 -0.22 0.00 0.01 0.00 0.00 54.13 53.95 1y9x s LEU 13 Cb -0.10 -1.92 0.08 0.00 0.01 0.00 0.00 46.19 44.26 1y9x s LEU 13 CO 0.07 0.04 0.92 -0.63 1.01 0.00 0.00 176.35 177.76 1y9x s ILE 14 N 1.17 4.45 0.00 -0.59 -1.09 0.30 -4.68 121.20 120.76 1y9x s ILE 14 Ca 0.04 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 1y9x s ILE 14 Cb -0.14 -4.65 0.00 0.00 -1.58 0.00 0.00 42.46 36.08 1y9x s ILE 14 CO 0.03 -1.40 0.00 0.61 -1.23 0.00 0.00 174.94 172.95 1y9x n GLY 15 N 5.33 -0.42 1.44 6.18 0.00 -1.26 -4.14 105.19 112.32 1y9x n GLY 15 Ca -0.03 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1y9x n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1y9x n LYS 16 N 0.00 0.00 -3.30 1.61 2.85 -1.26 -5.17 118.16 112.90 1y9x n LYS 16 Ca 0.00 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.08 1y9x n LYS 16 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1y9x s LYS 17 N -2.00 2.91 0.61 -1.58 1.02 -1.26 -5.10 119.74 114.34 1y9x s LYS 17 Ca 0.00 -1.18 -0.16 0.00 0.02 0.00 0.00 55.97 54.65 1y9x s LYS 17 Cb 0.00 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1y9x s LYS 17 CO 0.00 -0.11 1.09 -2.14 -0.92 0.00 0.00 175.35 173.28 1y9x s PRO 18 N -4.24 3.11 0.30 -1.68 0.02 -1.26 -4.95 135.00 126.31 1y9x s PRO 18 Ca 0.49 1.38 0.05 0.00 0.02 0.00 0.00 61.00 62.95 1y9x s PRO 18 Cb -0.09 -1.99 0.73 0.00 0.02 0.00 0.00 34.50 33.16 1y9x s PRO 18 CO 0.31 -1.00 1.77 -0.24 -0.33 0.00 0.00 177.00 177.51 1y9x h VAL 19 N 0.46 0.68 0.00 3.83 3.04 -1.99 -1.58 116.25 120.70 1y9x h VAL 19 Ca -0.48 -0.24 -0.02 0.00 -1.01 0.00 0.00 66.70 64.95 1y9x h VAL 19 Cb 1.24 -0.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.42 1y9x h VAL 19 CO 0.56 0.13 -0.07 0.00 -1.01 0.00 0.00 177.57 177.18 1y9x h MET 20 N 0.71 0.00 0.00 4.17 -0.00 -1.99 -1.55 114.93 116.28 1y9x h MET 20 Ca 0.57 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 60.08 1y9x h MET 20 Cb 0.91 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.48 1y9x h MET 20 CO -0.40 0.07 -1.09 -0.97 -0.00 0.00 0.00 176.91 174.53 1y9x h ASN 21 N 0.00 0.00 0.02 -0.10 -0.73 -1.66 -3.01 115.58 110.10 1y9x h ASN 21 Ca -0.00 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.97 1y9x h ASN 21 Cb 0.18 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.77 1y9x h ASN 21 CO 0.01 0.78 -0.73 1.88 -0.37 0.00 0.00 177.43 179.00 1y9x h TYR 22 N 0.00 0.84 -0.32 0.67 0.05 -1.33 -1.71 116.97 115.16 1y9x h TYR 22 Ca -0.09 -0.36 0.03 0.00 0.05 0.00 0.00 58.73 58.36 1y9x h TYR 22 Cb 1.67 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 39.25 1y9x h TYR 22 CO 0.00 1.15 0.12 0.28 -1.05 0.00 0.00 178.16 178.66 1y9x h VAL 23 N 0.43 0.93 -0.43 -2.88 2.07 -1.47 -0.10 116.25 114.81 1y9x h VAL 23 Ca -0.04 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1y9x h VAL 23 Cb 1.33 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1y9x h VAL 23 CO 0.14 0.05 -0.03 -0.07 0.02 0.00 0.00 177.57 177.68 1y9x h LEU 24 N 0.27 0.68 -0.35 2.57 3.38 -1.47 -2.16 115.31 118.23 1y9x h LEU 24 Ca 0.14 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1y9x h LEU 24 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1y9x h LEU 24 CO -0.13 0.77 0.01 0.00 0.09 0.00 0.00 178.44 179.18 1y9x h ALA 25 N 1.30 0.48 -0.67 1.53 0.00 -0.69 -1.92 119.26 119.29 1y9x h ALA 25 Ca 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1y9x h ALA 25 Cb 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1y9x h ALA 25 CO 0.02 0.23 0.28 0.00 0.00 0.00 0.00 179.25 179.78 1y9x h ALA 26 N 0.87 1.24 -0.09 0.00 0.00 -0.77 0.27 119.26 120.78 1y9x h ALA 26 Ca 0.10 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1y9x h ALA 26 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1y9x h ALA 26 CO 0.02 0.56 -0.28 -0.07 0.00 0.00 0.00 179.25 179.48 1y9x h LEU 27 N 0.95 0.16 -0.11 0.00 3.38 -1.22 -1.95 115.31 116.54 1y9x h LEU 27 Ca 0.23 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.92 1y9x h LEU 27 Cb 0.16 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1y9x h LEU 27 CO -0.02 0.45 -0.83 0.74 0.09 0.00 0.00 178.44 178.86 1y9x h THR 28 N 0.15 1.28 -0.75 0.22 2.02 -0.50 -3.21 112.91 112.13 1y9x h THR 28 Ca 0.02 -2.04 -0.03 0.00 0.77 0.00 0.00 66.41 65.14 1y9x h THR 28 Cb 0.58 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 69.07 1y9x h THR 28 CO 0.04 0.64 0.35 -0.07 0.37 0.00 0.00 175.52 176.85 1y9x h LEU 29 N 0.46 0.98 -0.48 2.58 3.38 -0.58 -2.61 115.31 119.04 1y9x h LEU 29 Ca -0.07 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1y9x h LEU 29 Cb 1.47 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1y9x h LEU 29 CO 0.17 0.83 0.23 0.25 0.09 0.00 0.00 178.44 180.01 1y9x h LEU 30 N 1.07 0.32 -1.73 1.67 5.85 -1.22 -0.28 115.31 121.00 1y9x h LEU 30 Ca 0.26 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1y9x h LEU 30 Cb 0.12 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1y9x h LEU 30 CO -0.03 0.23 -0.13 0.78 -0.34 0.00 0.00 178.44 178.95 1y9x h ASN 31 N 0.46 0.00 1.11 1.25 2.35 -1.48 -1.09 115.58 118.18 1y9x h ASN 31 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1y9x h ASN 31 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1y9x h ASN 31 CO -0.16 0.13 -0.08 0.00 -1.65 0.00 0.00 177.43 175.67 1y9x n GLN 32 N -3.47 0.11 0.00 0.81 1.13 -0.60 -4.88 117.38 110.49 1y9x n GLN 32 Ca -0.01 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1y9x n GLN 32 Cb 0.28 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 29.02 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 1.43 0.88 3.36 1.08 0.00 -0.41 -5.06 105.19 106.46 1y9x n GLY 33 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 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 5.21 -0.22 1.61 1.01 -0.22 -4.82 120.40 120.98 1y9x s VAL 34 Ca 0.00 -1.82 0.21 0.00 0.00 0.00 0.00 61.98 60.37 1y9x s VAL 34 Cb 0.00 -4.51 -0.00 0.00 0.00 0.00 0.00 36.38 31.87 1y9x s VAL 34 CO 0.00 -1.11 1.05 0.77 0.00 0.00 0.00 175.10 175.81 1y9x h SER 35 N 8.47 0.00 -3.51 3.32 4.64 -1.82 -3.00 113.55 121.65 1y9x h SER 35 Ca -0.04 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.57 1y9x h SER 35 Cb 1.06 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.86 1y9x h SER 35 CO 0.94 0.13 -0.51 -1.61 -0.87 0.00 0.00 176.83 174.91 1y9x s GLU 36 N -3.25 2.54 0.12 4.77 2.02 -1.26 -0.44 118.70 123.20 1y9x s GLU 36 Ca -0.00 -1.43 0.10 0.00 0.02 0.00 0.00 54.97 53.66 1y9x s GLU 36 Cb 0.09 -3.69 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 1y9x s GLU 36 CO 0.78 -0.90 -0.26 0.96 0.02 0.00 0.00 175.26 175.87 1y9x s ILE 37 N 1.39 2.14 -0.15 -1.63 -0.00 -0.98 -4.90 121.20 117.06 1y9x s ILE 37 Ca 0.02 -1.69 0.01 0.00 -0.00 0.00 0.00 60.65 58.99 1y9x s ILE 37 Cb -0.22 -1.90 0.02 0.00 -0.00 0.00 0.00 42.46 40.36 1y9x s ILE 37 CO 0.02 0.08 -0.17 -0.69 -0.00 0.00 0.00 174.94 174.18 1y9x s VAL 38 N -1.06 1.75 -0.24 8.37 1.01 0.67 -1.95 120.40 128.94 1y9x s VAL 38 Ca 0.12 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1y9x s VAL 38 Cb -0.10 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1y9x s VAL 38 CO 0.05 0.49 0.11 -0.63 0.00 0.00 0.00 175.10 175.12 1y9x s ILE 39 N 1.34 4.82 -0.17 2.22 1.01 0.53 -1.35 121.20 129.60 1y9x s ILE 39 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.67 1y9x s ILE 39 Cb -0.13 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.09 1y9x s ILE 39 CO -0.10 0.34 -0.13 -0.54 0.00 0.00 0.00 174.94 174.51 1y9x s LYS 40 N 1.31 3.26 0.03 2.79 1.02 0.28 -0.86 119.74 127.57 1y9x s LYS 40 Ca 0.06 -0.72 0.09 0.00 0.02 0.00 0.00 55.97 55.42 1y9x s LYS 40 Cb -0.15 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1y9x s LYS 40 CO 0.05 -0.02 -0.26 0.00 -0.92 0.00 0.00 175.35 174.21 1y9x s ALA 41 N 0.92 2.26 -0.08 5.17 0.00 -0.75 -0.54 121.76 128.74 1y9x s ALA 41 Ca -0.03 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.72 1y9x s ALA 41 Cb -0.15 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1y9x s ALA 41 CO -0.01 0.54 -0.10 0.50 0.00 0.00 0.00 175.76 176.69 1y9x s ARG 42 N -1.09 1.52 1.54 0.00 3.00 -1.26 -0.86 118.95 121.80 1y9x s ARG 42 Ca 0.11 -0.32 0.00 0.00 -1.00 0.00 0.00 55.73 54.52 1y9x s ARG 42 Cb -0.10 -1.37 0.00 0.00 0.00 0.00 0.00 34.95 33.48 1y9x s ARG 42 CO 0.01 -0.07 0.00 0.41 0.00 0.00 0.00 175.30 175.65 1y9x n GLY 43 N 4.16 0.82 0.17 8.12 0.00 0.51 -3.93 105.19 115.03 1y9x n GLY 43 Ca -0.20 -1.35 0.10 0.00 0.00 0.00 0.00 46.02 44.57 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 4.27 1.22 0.00 1.61 1.74 -1.26 -3.45 116.66 120.79 1y9x n ARG 44 Ca 0.00 -0.34 0.15 0.00 -0.77 0.00 0.00 57.85 56.89 1y9x n ARG 44 Cb 0.00 -1.32 0.78 0.00 -1.02 0.00 0.00 32.46 30.90 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 -0.45 2.59 -0.27 7.54 0.00 -1.25 -3.71 120.51 124.96 1y9x n ALA 45 Ca 0.14 -0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.43 1y9x n ALA 45 Cb 0.14 -1.47 0.17 0.00 0.00 0.00 0.00 19.45 18.30 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 0.14 0.80 0.00 0.00 2.04 -1.85 0.28 117.51 118.92 1y9x h ILE 46 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1y9x h ILE 46 Cb 0.23 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1y9x h ILE 46 CO 0.00 0.11 0.00 -1.28 0.00 0.00 0.00 178.15 176.98 1y9x h SER 47 N 0.61 0.00 0.38 1.72 0.87 -1.89 -2.12 113.55 113.11 1y9x h SER 47 Ca 0.39 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.64 1y9x h SER 47 Cb 0.47 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 1y9x h SER 47 CO -0.31 0.00 -1.80 1.17 -0.53 0.00 0.00 176.83 175.36 1y9x n LYS 48 N -2.95 0.67 -0.14 2.24 4.81 0.04 -3.50 118.16 119.33 1y9x n LYS 48 Ca -0.02 0.28 -0.10 0.00 -0.87 0.00 0.00 58.31 57.61 1y9x n LYS 48 Cb 0.14 -1.76 -0.01 0.00 0.02 0.00 0.00 35.03 33.42 1y9x n LYS 48 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1y9x h ALA 49 N 0.74 0.56 -0.08 3.14 0.00 -0.87 -1.22 119.26 121.52 1y9x h ALA 49 Ca -0.33 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 1y9x h ALA 49 Cb 2.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1y9x h ALA 49 CO 0.08 0.31 -0.55 -0.24 0.00 0.00 0.00 179.25 178.85 1y9x h VAL 50 N 0.55 1.36 -0.57 0.00 3.04 -1.70 -2.73 116.25 116.20 1y9x h VAL 50 Ca 0.12 -1.85 -0.09 0.00 -1.01 0.00 0.00 66.70 63.88 1y9x h VAL 50 Cb 0.43 1.91 -0.02 0.00 -2.01 0.00 0.00 31.29 31.59 1y9x h VAL 50 CO 0.01 0.55 0.01 -0.78 -1.01 0.00 0.00 177.57 176.35 1y9x h ASP 51 N 0.19 0.96 0.13 3.17 3.58 -1.54 -2.34 116.42 120.57 1y9x h ASP 51 Ca 0.00 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 1y9x h ASP 51 Cb 1.02 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1y9x h ASP 51 CO 0.08 1.01 -0.06 0.74 -2.88 0.00 0.00 179.24 178.13 1y9x h THR 52 N 0.91 0.88 -0.50 2.25 2.02 -0.99 -2.87 112.91 114.60 1y9x h THR 52 Ca 0.17 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.21 1y9x h THR 52 Cb 0.52 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1y9x h THR 52 CO 0.03 0.01 -0.05 -0.37 0.37 0.00 0.00 175.52 175.50 1y9x h VAL 53 N -0.20 1.26 -0.67 3.16 -1.51 -1.37 -2.69 116.25 114.23 1y9x h VAL 53 Ca -0.02 -1.14 0.01 0.00 -1.23 0.00 0.00 66.70 64.33 1y9x h VAL 53 Cb 0.15 0.93 -0.03 0.00 -2.13 0.00 0.00 31.29 30.21 1y9x h VAL 53 CO 0.03 0.40 0.45 -0.33 -1.23 0.00 0.00 177.57 176.89 1y9x h GLU 54 N 0.81 0.86 -0.33 5.19 4.39 -1.36 -1.73 114.58 122.40 1y9x h GLU 54 Ca 0.14 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 1y9x h GLU 54 Cb 0.56 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1y9x h GLU 54 CO 0.03 0.57 -0.04 0.82 -1.16 0.00 0.00 179.01 179.23 1y9x h ILE 55 N 0.89 1.27 -0.73 3.13 2.04 -1.26 -2.55 117.51 120.30 1y9x h ILE 55 Ca 0.25 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 1y9x h ILE 55 Cb -0.06 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1y9x h ILE 55 CO -0.06 0.35 0.31 0.58 0.00 0.00 0.00 178.15 179.32 1y9x h VAL 56 N 0.41 1.24 -0.36 1.67 2.07 -1.17 0.12 116.25 120.23 1y9x h VAL 56 Ca 0.09 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1y9x h VAL 56 Cb 0.52 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1y9x h VAL 56 CO 0.03 0.30 0.00 -2.11 0.02 0.00 0.00 177.57 175.81 1y9x n ARG 57 N -4.30 1.99 0.00 1.57 1.85 -0.70 -3.41 116.66 113.65 1y9x n ARG 57 Ca 0.07 -1.35 0.00 0.00 -1.00 0.00 0.00 57.85 55.56 1y9x n ARG 57 Cb 0.17 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.22 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 0.54 3.73 -0.08 2.89 4.05 -0.82 -4.05 115.26 121.52 1y9x n ASN 58 Ca 0.12 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 55.08 1y9x n ASN 58 Cb 0.36 0.35 -0.03 0.00 1.23 0.00 0.00 39.78 41.69 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 -1.68 0.49 0.15 1.20 0.63 0.35 -4.57 116.66 113.23 1y9x n ARG 59 Ca 0.00 0.42 -0.13 0.00 -0.92 0.00 0.00 57.85 57.22 1y9x n ARG 59 Cb 0.38 -1.60 -0.08 0.00 0.45 0.00 0.00 32.46 31.61 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 -1.00 -0.39 -1.00 -0.14 3.57 -1.73 -3.44 116.94 112.81 1y9x h PHE 60 Ca -0.05 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.53 1y9x h PHE 60 Cb 0.76 0.13 -0.21 0.00 2.79 0.00 0.00 35.95 39.42 1y9x h PHE 60 CO -0.27 -0.04 -0.29 -1.17 -2.23 0.00 0.00 178.31 174.31 1y9x s LEU 61 N -9.38 -1.43 -0.10 0.59 1.98 -1.25 -5.05 118.68 104.04 1y9x s LEU 61 Ca -0.13 0.77 0.04 0.00 -2.89 0.00 0.00 54.13 51.91 1y9x s LEU 61 Cb 0.02 2.15 -0.24 0.00 0.66 0.00 0.00 46.19 48.77 1y9x s LEU 61 CO 0.50 -0.27 0.43 0.00 -1.89 0.00 0.00 176.35 175.13 1y9x n ALA 62 N 5.43 1.22 0.24 5.97 0.00 -1.26 -4.17 120.51 127.95 1y9x n ALA 62 Ca -0.00 -0.75 0.10 0.00 0.00 0.00 0.00 53.44 52.79 1y9x n ALA 62 Cb 0.51 -0.68 0.62 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 0.03 0.00 -3.61 0.00 5.19 -1.96 -3.38 116.42 112.69 1y9x h ASP 63 Ca -0.39 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.38 1y9x h ASP 63 Cb 2.03 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 41.15 1y9x h ASP 63 CO 0.07 0.17 -0.74 -0.54 -3.12 0.00 0.00 179.24 175.08 1y9x s LYS 64 N -4.29 1.43 -0.10 3.56 -0.14 -1.26 -5.07 119.74 113.87 1y9x s LYS 64 Ca -0.03 -1.64 -0.25 0.00 -1.36 0.00 0.00 55.97 52.69 1y9x s LYS 64 Cb 0.14 -2.94 0.06 0.00 -1.68 0.00 0.00 37.83 33.41 1y9x s LYS 64 CO 0.63 -0.89 0.58 -1.50 -0.76 0.00 0.00 175.35 173.41 1y9x s ILE 65 N 1.07 0.01 0.00 2.17 1.10 -1.26 -4.01 121.20 120.28 1y9x s ILE 65 Ca 0.08 -0.09 0.02 0.00 -0.51 0.00 0.00 60.65 60.15 1y9x s ILE 65 Cb -0.19 -0.87 -0.01 0.00 0.15 0.00 0.00 42.46 41.54 1y9x s ILE 65 CO -0.11 -0.05 -0.07 -0.70 -2.11 0.00 0.00 174.94 171.91 1y9x s GLU 66 N -0.72 0.52 -0.13 3.50 2.56 -0.76 -4.89 118.70 118.77 1y9x s GLU 66 Ca -0.08 -0.30 -0.13 0.00 0.00 0.00 0.00 54.97 54.47 1y9x s GLU 66 Cb -0.02 -0.48 -0.05 0.00 2.00 0.00 0.00 34.13 35.58 1y9x s GLU 66 CO 0.06 0.13 0.29 0.42 -0.56 0.00 0.00 175.26 175.59 1y9x s ILE 67 N -0.30 5.29 -0.20 -3.70 1.09 -1.26 -0.88 121.20 121.24 1y9x s ILE 67 Ca 0.01 0.54 -0.18 0.00 -1.10 0.00 0.00 60.65 59.93 1y9x s ILE 67 Cb -0.03 -3.61 -0.19 0.00 -1.06 0.00 0.00 42.46 37.56 1y9x s ILE 67 CO -0.00 0.44 0.16 1.17 -0.10 0.00 0.00 174.94 176.61 1y9x n LYS 68 N 3.15 0.60 -3.62 2.79 4.81 -0.37 -4.79 118.16 120.73 1y9x n LYS 68 Ca -0.13 0.48 -0.06 0.00 -0.87 0.00 0.00 58.31 57.73 1y9x n LYS 68 Cb 0.52 -1.70 -0.06 0.00 0.02 0.00 0.00 35.03 33.81 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 -2.42 0.30 -0.31 1.64 2.56 -0.38 -5.00 118.70 115.10 1y9x s GLU 69 Ca -0.29 0.17 -0.03 0.00 0.00 0.00 0.00 54.97 54.83 1y9x s GLU 69 Cb 0.07 0.14 0.11 0.00 2.00 0.00 0.00 34.13 36.46 1y9x s GLU 69 CO 0.61 -0.07 0.16 0.96 -0.56 0.00 0.00 175.26 176.36 1y9x s ILE 70 N -0.57 -0.04 0.01 -3.70 -4.36 -1.26 -0.55 121.20 110.73 1y9x s ILE 70 Ca 0.04 -0.99 0.05 0.00 -0.26 0.00 0.00 60.65 59.50 1y9x s ILE 70 Cb -0.02 -1.01 -0.02 0.00 1.25 0.00 0.00 42.46 42.66 1y9x s ILE 70 CO -0.07 -0.78 -0.16 -0.13 0.24 0.00 0.00 174.94 174.04 1y9x s ARG 71 N 1.84 1.24 0.03 0.37 0.52 -0.82 -5.02 118.95 117.12 1y9x s ARG 71 Ca 0.11 -0.67 0.08 0.00 -0.52 0.00 0.00 55.73 54.74 1y9x s ARG 71 Cb -0.18 -1.23 -0.03 0.00 0.52 0.00 0.00 34.95 34.03 1y9x s ARG 71 CO -0.27 0.33 -0.24 0.54 0.02 0.00 0.00 175.30 175.68 1y9x s VAL 72 N -0.53 2.32 0.00 3.52 0.11 -1.26 -0.80 120.40 123.76 1y9x s VAL 72 Ca 0.05 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 57.83 1y9x s VAL 72 Cb -0.07 -1.91 0.00 0.00 -1.53 0.00 0.00 36.38 32.87 1y9x s VAL 72 CO 0.00 0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 1y9x n GLY 73 N 1.84 2.02 3.47 6.54 0.00 0.00 -5.01 105.19 114.06 1y9x n GLY 73 Ca -0.17 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 1y9x n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y9x s SER 74 N 0.29 3.91 -0.18 1.61 0.01 -1.26 -0.29 113.70 117.79 1y9x s SER 74 Ca 0.00 -0.38 -0.08 0.00 1.31 0.00 0.00 55.95 56.79 1y9x s SER 74 Cb 0.00 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 1y9x s SER 74 CO 0.00 0.26 0.10 -1.58 0.41 0.00 0.00 173.24 172.43 1y9x s GLN 75 N -1.41 4.00 -0.30 12.44 0.74 0.18 -4.87 119.66 130.45 1y9x s GLN 75 Ca 0.15 -0.27 -0.03 0.00 0.05 0.00 0.00 55.36 55.26 1y9x s GLN 75 Cb -0.11 -3.30 0.04 0.00 1.10 0.00 0.00 33.01 30.74 1y9x s GLN 75 CO 0.05 0.35 0.02 0.08 -0.55 0.00 0.00 175.29 175.24 1y9x s VAL 76 N 0.20 3.27 0.20 1.34 1.01 -1.26 -0.63 120.40 124.54 1y9x s VAL 76 Ca 0.07 -1.19 0.09 0.00 0.00 0.00 0.00 61.98 60.95 1y9x s VAL 76 Cb -0.12 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1y9x s VAL 76 CO -0.01 -0.06 -0.18 0.68 0.00 0.00 0.00 175.10 175.54 1y9x s VAL 77 N 1.33 1.98 -0.24 2.92 -7.23 -0.32 -4.93 120.40 113.91 1y9x s VAL 77 Ca -0.03 -2.11 -0.13 0.00 -1.81 0.00 0.00 61.98 57.90 1y9x s VAL 77 Cb -0.19 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 1y9x s VAL 77 CO -0.00 -0.39 0.28 0.42 -0.31 0.00 0.00 175.10 175.09 1y9x s THR 78 N -2.37 5.27 0.10 5.32 -4.23 -1.26 -0.15 115.64 118.32 1y9x s THR 78 Ca 0.21 0.41 -0.14 0.00 -1.18 0.00 0.00 61.69 60.99 1y9x s THR 78 Cb -0.04 -3.61 -0.12 0.00 1.34 0.00 0.00 72.50 70.06 1y9x s THR 78 CO 0.09 0.27 1.35 -1.28 -0.54 0.00 0.00 174.62 174.50 1y9x h SER 79 N 7.73 0.85 0.00 3.99 0.87 -0.69 -3.44 113.55 122.86 1y9x h SER 79 Ca -0.36 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 1y9x h SER 79 Cb 1.17 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1y9x h SER 79 CO 0.66 1.26 0.00 0.00 -0.53 0.00 0.00 176.83 178.22 1y9x n GLN 80 N -4.10 0.00 0.00 2.24 1.13 -1.26 -5.05 117.38 110.34 1y9x n GLN 80 Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1y9x n GLN 80 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.97 1y9x n GLN 80 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1y9x n ASP 81 N -2.47 0.00 -0.19 1.08 5.68 -1.26 -4.93 116.55 114.46 1y9x n ASP 81 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.41 1y9x n ASP 81 Cb 0.00 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.16 1y9x n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y9x n GLY 82 N 1.24 -0.70 3.55 6.12 0.00 -1.26 -4.77 105.19 109.37 1y9x n GLY 82 Ca 0.00 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.71 2.82 0.20 1.61 0.52 -1.26 -4.96 118.95 115.17 1y9x s ARG 83 Ca 0.17 0.13 -0.10 0.00 -0.52 0.00 0.00 55.73 55.40 1y9x s ARG 83 Cb 0.18 -4.53 -0.07 0.00 0.52 0.00 0.00 34.95 31.05 1y9x s ARG 83 CO 0.64 -2.66 0.53 -0.65 0.02 0.00 0.00 175.30 173.18 1y9x s GLN 84 N 6.58 3.83 -0.01 3.54 -0.21 -1.26 0.09 119.66 132.22 1y9x s GLN 84 Ca 0.58 0.30 0.00 0.00 0.02 0.00 0.00 55.36 56.26 1y9x s GLN 84 Cb -0.10 -2.74 0.01 0.00 1.00 0.00 0.00 33.01 31.19 1y9x s GLN 84 CO 0.13 0.37 0.01 -1.12 -2.12 0.00 0.00 175.29 172.56 1y9x s SER 85 N -2.19 0.11 -0.23 5.90 0.01 0.79 -4.89 113.70 113.19 1y9x s SER 85 Ca 0.44 0.00 -0.09 0.00 1.31 0.00 0.00 55.95 57.61 1y9x s SER 85 Cb -0.12 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 1y9x s SER 85 CO 0.21 -0.05 0.12 -0.13 0.41 0.00 0.00 173.24 173.80 1y9x s ARG 86 N 0.46 3.96 -0.02 12.44 0.52 -1.25 -1.17 118.95 133.89 1y9x s ARG 86 Ca -0.04 -0.33 0.06 0.00 -0.52 0.00 0.00 55.73 54.90 1y9x s ARG 86 Cb -0.06 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 1y9x s ARG 86 CO -0.01 0.04 -0.20 0.08 0.02 0.00 0.00 175.30 175.23 1y9x s VAL 87 N 1.06 1.62 0.19 3.52 1.01 0.20 -4.92 120.40 123.09 1y9x s VAL 87 Ca 0.06 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1y9x s VAL 87 Cb -0.14 -1.36 -0.08 0.00 0.00 0.00 0.00 36.38 34.81 1y9x s VAL 87 CO 0.04 0.46 1.10 -0.55 0.00 0.00 0.00 175.10 176.15 1y9x s SER 88 N -0.36 7.26 0.02 3.32 0.15 -1.26 0.49 113.70 123.32 1y9x s SER 88 Ca 0.05 2.12 0.02 0.00 0.70 0.00 0.00 55.95 58.84 1y9x s SER 88 Cb -0.09 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.60 1y9x s SER 88 CO 0.00 -0.21 -0.06 0.42 1.20 0.00 0.00 173.24 174.58 1y9x s THR 89 N -0.37 0.46 -0.02 6.45 -4.23 0.60 -0.37 115.64 118.17 1y9x s THR 89 Ca 0.49 -0.66 0.04 0.00 -1.18 0.00 0.00 61.69 60.38 1y9x s THR 89 Cb -0.30 -0.47 -0.01 0.00 1.34 0.00 0.00 72.50 73.06 1y9x s THR 89 CO 0.36 -0.15 -0.15 -0.51 -0.54 0.00 0.00 174.62 173.63 1y9x s ILE 90 N -0.78 1.18 -0.28 2.99 2.07 -0.04 -0.82 121.20 125.52 1y9x s ILE 90 Ca -0.04 -0.63 -0.01 0.00 -1.41 0.00 0.00 60.65 58.56 1y9x s ILE 90 Cb -0.06 -0.99 0.04 0.00 0.13 0.00 0.00 42.46 41.58 1y9x s ILE 90 CO 0.00 0.34 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.64 1y9x s GLU 91 N -0.24 2.54 -0.32 3.50 2.12 0.02 -1.80 118.70 124.52 1y9x s GLU 91 Ca 0.04 -1.18 -0.04 0.00 0.36 0.00 0.00 54.97 54.14 1y9x s GLU 91 Cb -0.07 -3.09 0.04 0.00 0.26 0.00 0.00 34.13 31.28 1y9x s GLU 91 CO -0.00 -0.54 0.06 0.42 -0.54 0.00 0.00 175.26 174.65 1y9x s ILE 92 N 1.26 3.45 -0.17 -3.70 1.01 -0.04 -1.94 121.20 121.07 1y9x s ILE 92 Ca -0.04 -1.22 -0.01 0.00 0.00 0.00 0.00 60.65 59.38 1y9x s ILE 92 Cb -0.19 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.33 1y9x s ILE 92 CO -0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 174.94 174.66 1y9x s ALA 93 N 1.34 2.60 0.26 9.38 0.00 0.29 -0.35 121.76 135.29 1y9x s ALA 93 Ca -0.03 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 50.94 1y9x s ALA 93 Cb -0.19 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 1y9x s ALA 93 CO 0.01 -0.13 -0.11 0.96 0.00 0.00 0.00 175.76 176.49 1y9x s ILE 94 N 0.97 1.86 -0.23 0.00 -4.36 -0.82 -1.24 121.20 117.38 1y9x s ILE 94 Ca -0.02 -2.20 -0.01 0.00 -0.26 0.00 0.00 60.65 58.16 1y9x s ILE 94 Cb -0.15 -2.33 0.07 0.00 1.25 0.00 0.00 42.46 41.30 1y9x s ILE 94 CO -0.01 -0.39 0.00 -0.60 0.24 0.00 0.00 174.94 174.17 1y9x s ARG 95 N -3.66 1.11 -0.02 0.37 3.52 -0.06 -2.31 118.95 117.90 1y9x s ARG 95 Ca 0.28 -0.78 -0.26 0.00 -0.13 0.00 0.00 55.73 54.84 1y9x s ARG 95 Cb 0.01 -2.34 -0.04 0.00 -1.56 0.00 0.00 34.95 31.02 1y9x s ARG 95 CO 0.11 -0.67 0.80 0.21 -0.81 0.00 0.00 175.30 174.95 1y9x s LYS 96 N 1.60 4.49 0.00 5.12 2.36 0.41 -1.83 119.74 131.90 1y9x s LYS 96 Ca -0.02 1.09 0.27 0.00 -2.55 0.00 0.00 55.97 54.76 1y9x s LYS 96 Cb -0.18 -3.44 0.77 0.00 -1.05 0.00 0.00 37.83 33.94 1y9x s LYS 96 CO -0.09 0.07 1.59 1.63 1.55 0.00 0.00 175.35 180.10