#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 -5.22 -0.04 6.12 7.64 -1.26 -2.14 113.62 118.72 1y9x n SER 2 Ca 0.00 0.10 -0.00 0.00 1.01 0.00 0.00 58.87 59.97 1y9x n SER 2 Cb 0.00 -3.07 -0.00 0.00 -1.01 0.00 0.00 64.21 60.13 1y9x n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1y9x n SER 3 N -0.73 -4.40 0.00 6.43 2.88 -1.26 -4.82 113.62 111.72 1y9x n SER 3 Ca -0.04 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1y9x n SER 3 Cb 0.42 -1.94 0.00 0.00 -0.75 0.00 0.00 64.21 61.94 1y9x n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1y9x n GLY 4 N -1.16 4.59 2.83 0.46 0.00 -0.91 -5.11 105.19 105.89 1y9x n GLY 4 Ca -0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.67 1.20 0.53 2.61 -4.23 -1.26 -5.00 115.64 108.82 1y9x s THR 5 Ca 0.00 -1.36 -0.05 0.00 -1.18 0.00 0.00 61.69 59.10 1y9x s THR 5 Cb 0.00 -1.75 -0.01 0.00 1.34 0.00 0.00 72.50 72.08 1y9x s THR 5 CO 0.00 -0.44 0.83 -2.16 -0.54 0.00 0.00 174.62 172.31 1y9x s PRO 6 N 1.49 3.21 -0.10 3.99 0.04 -1.26 -5.10 135.00 137.28 1y9x s PRO 6 Ca 0.04 0.04 -0.01 0.00 0.04 0.00 0.00 61.00 61.11 1y9x s PRO 6 Cb -0.18 -2.34 0.03 0.00 0.04 0.00 0.00 34.50 32.05 1y9x s PRO 6 CO -0.15 -0.44 -0.01 0.99 0.04 0.00 0.00 177.00 177.43 1y9x s THR 7 N -2.84 0.51 0.26 1.26 2.01 -1.26 -5.16 115.64 110.43 1y9x s THR 7 Ca 0.50 -0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.43 1y9x s THR 7 Cb -0.10 -0.69 0.06 0.00 0.01 0.00 0.00 72.50 71.77 1y9x s THR 7 CO 0.44 0.21 0.36 -0.81 -0.69 0.00 0.00 174.62 174.13 1y9x n PRO 8 N 5.10 -0.12 -4.02 4.92 -0.05 -1.26 -5.14 135.00 134.43 1y9x n PRO 8 Ca -0.08 -0.66 -0.10 0.00 -0.05 0.00 0.00 63.50 62.61 1y9x n PRO 8 Cb 0.50 -0.33 -0.08 0.00 -0.05 0.00 0.00 33.50 33.54 1y9x n PRO 8 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 1y9x s SER 9 N -2.34 0.11 -0.09 3.54 1.04 -1.26 -5.05 113.70 109.64 1y9x s SER 9 Ca 0.21 -0.97 0.17 0.00 0.48 0.00 0.00 55.95 55.84 1y9x s SER 9 Cb -0.01 0.40 0.62 0.00 0.10 0.00 0.00 66.02 67.13 1y9x s SER 9 CO 0.15 -0.85 1.53 -0.46 0.98 0.00 0.00 173.24 174.59 1y9x n ASN 10 N -0.19 4.28 -4.32 7.02 6.94 -1.26 -4.90 115.26 122.83 1y9x n ASN 10 Ca -0.07 -2.40 -0.34 0.00 -0.02 0.00 0.00 54.58 51.75 1y9x n ASN 10 Cb 0.63 -0.51 -0.14 0.00 -2.36 0.00 0.00 39.78 37.40 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 -1.75 3.08 0.03 3.53 1.01 -1.26 -0.93 120.40 124.12 1y9x s VAL 11 Ca 0.45 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.87 1y9x s VAL 11 Cb 0.29 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1y9x s VAL 11 CO 0.22 0.49 -0.16 0.68 0.00 0.00 0.00 175.10 176.33 1y9x s VAL 12 N 0.91 2.97 -0.18 2.92 -7.23 -0.80 -5.02 120.40 113.97 1y9x s VAL 12 Ca -0.02 -1.11 -0.08 0.00 -1.81 0.00 0.00 61.98 58.96 1y9x s VAL 12 Cb -0.15 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1y9x s VAL 12 CO -0.00 0.34 0.10 -0.22 -0.31 0.00 0.00 175.10 175.01 1y9x s LEU 13 N -1.45 4.03 -0.27 1.32 2.96 -1.26 -1.53 118.68 122.48 1y9x s LEU 13 Ca 0.15 0.18 -0.15 0.00 -0.22 0.00 0.00 54.13 54.10 1y9x s LEU 13 Cb -0.11 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1y9x s LEU 13 CO 0.06 0.20 0.36 -0.63 -1.32 0.00 0.00 176.35 175.02 1y9x s ILE 14 N 0.21 5.19 0.00 6.68 -1.09 -0.94 -4.77 121.20 126.47 1y9x s ILE 14 Ca 0.07 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1y9x s ILE 14 Cb -0.12 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1y9x s ILE 14 CO -0.00 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.49 1y9x n GLY 15 N 4.66 -0.05 2.15 6.18 0.00 -1.26 -4.20 105.19 112.68 1y9x n GLY 15 Ca -0.09 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.69 1.61 4.81 -1.26 -5.15 118.16 114.49 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 3.06 0.89 1.64 1.02 -1.26 -5.11 119.74 117.98 1y9x s LYS 17 Ca 0.00 -1.04 -0.11 0.00 0.02 0.00 0.00 55.97 54.84 1y9x s LYS 17 Cb 0.00 -2.73 0.12 0.00 -0.52 0.00 0.00 37.83 34.70 1y9x s LYS 17 CO 0.00 0.16 1.12 -0.35 -0.92 0.00 0.00 175.35 175.36 1y9x n PRO 18 N -1.50 -0.26 -0.12 -1.68 -0.04 -1.26 -4.90 135.00 125.24 1y9x n PRO 18 Ca -0.03 -0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.65 1y9x n PRO 18 Cb 0.58 -2.36 0.65 0.00 -0.04 0.00 0.00 33.50 32.33 1y9x n PRO 18 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1y9x h VAL 19 N -1.57 0.67 -0.47 0.52 3.04 -1.99 -2.38 116.25 114.06 1y9x h VAL 19 Ca -0.44 -0.04 0.08 0.00 -1.01 0.00 0.00 66.70 65.29 1y9x h VAL 19 Cb 1.28 0.54 -0.03 0.00 -2.01 0.00 0.00 31.29 31.07 1y9x h VAL 19 CO 0.42 0.02 0.32 0.00 -1.01 0.00 0.00 177.57 177.33 1y9x h MET 20 N 0.12 0.29 -0.21 4.17 -0.00 -1.99 -0.32 114.93 116.98 1y9x h MET 20 Ca 0.36 -0.02 -0.18 0.00 -0.00 0.00 0.00 59.70 59.86 1y9x h MET 20 Cb 1.26 -0.07 -0.00 0.00 -0.00 0.00 0.00 31.60 32.80 1y9x h MET 20 CO -0.05 0.19 -0.60 -0.97 -0.00 0.00 0.00 176.91 175.48 1y9x h ASN 21 N 0.30 0.81 0.34 -0.10 -1.24 -1.78 -2.66 115.58 111.24 1y9x h ASN 21 Ca 0.22 -0.46 -0.24 0.00 0.71 0.00 0.00 56.30 56.53 1y9x h ASN 21 Cb 0.46 -0.23 0.01 0.00 0.73 0.00 0.00 38.32 39.28 1y9x h ASN 21 CO -0.05 1.22 -1.01 1.88 -1.29 0.00 0.00 177.43 178.19 1y9x h TYR 22 N 0.54 0.65 0.22 0.67 0.05 -1.27 -2.65 116.97 115.18 1y9x h TYR 22 Ca -0.00 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.40 1y9x h TYR 22 Cb 1.19 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.85 1y9x h TYR 22 CO 0.06 1.21 -0.19 0.28 -1.05 0.00 0.00 178.16 178.47 1y9x h VAL 23 N 0.22 0.59 -0.68 -2.88 2.07 -1.15 -2.38 116.25 112.04 1y9x h VAL 23 Ca -0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1y9x h VAL 23 Cb 1.66 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1y9x h VAL 23 CO 0.18 0.00 0.45 -0.07 0.02 0.00 0.00 177.57 178.15 1y9x h LEU 24 N -0.43 0.69 -0.78 2.57 3.38 -1.50 -1.82 115.31 117.42 1y9x h LEU 24 Ca -0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1y9x h LEU 24 Cb 0.39 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1y9x h LEU 24 CO -0.03 0.47 0.31 0.00 0.09 0.00 0.00 178.44 179.28 1y9x h ALA 25 N 1.61 1.01 0.62 1.53 0.00 -1.13 -2.38 119.26 120.52 1y9x h ALA 25 Ca 0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1y9x h ALA 25 Cb 0.10 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1y9x h ALA 25 CO -0.08 0.64 -0.30 0.00 0.00 0.00 0.00 179.25 179.51 1y9x h ALA 26 N 1.16 -0.84 0.00 0.00 0.00 -0.82 -1.77 119.26 116.99 1y9x h ALA 26 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1y9x h ALA 26 Cb 0.22 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1y9x h ALA 26 CO -0.02 -0.94 0.00 1.37 0.00 0.00 0.00 179.25 179.66 1y9x h LEU 27 N -0.89 0.00 -0.10 0.00 -0.00 -1.54 -1.85 115.31 110.94 1y9x h LEU 27 Ca -0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.72 1y9x h LEU 27 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1y9x h LEU 27 CO 0.14 0.00 -0.25 0.74 -0.00 0.00 0.00 178.44 179.08 1y9x h THR 28 N 0.00 1.40 -0.49 0.15 2.02 -1.19 -2.96 112.91 111.83 1y9x h THR 28 Ca 0.00 -1.57 -0.10 0.00 0.77 0.00 0.00 66.41 65.51 1y9x h THR 28 Cb 0.45 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 1y9x h THR 28 CO 0.00 0.45 -0.08 -0.07 0.37 0.00 0.00 175.52 176.19 1y9x h LEU 29 N -0.12 0.93 -0.86 2.58 3.38 -0.94 -1.53 115.31 118.75 1y9x h LEU 29 Ca -0.00 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.72 1y9x h LEU 29 Cb 0.85 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 1y9x h LEU 29 CO 0.05 1.06 0.51 -0.07 0.09 0.00 0.00 178.44 180.08 1y9x h LEU 30 N 0.79 0.74 -1.66 1.67 3.38 -1.26 -0.25 115.31 118.71 1y9x h LEU 30 Ca 0.13 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1y9x h LEU 30 Cb 0.63 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1y9x h LEU 30 CO 0.04 0.42 0.00 0.59 0.09 0.00 0.00 178.44 179.58 1y9x n ASN 31 N -4.71 2.48 -0.10 -0.43 3.02 -1.12 -3.87 115.26 110.53 1y9x n ASN 31 Ca 0.14 -1.86 -0.10 0.00 -0.03 0.00 0.00 54.58 52.73 1y9x n ASN 31 Cb 0.28 -0.19 -0.16 0.00 -0.61 0.00 0.00 39.78 39.10 1y9x n ASN 31 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1y9x n GLN 32 N 0.85 0.69 0.00 3.52 7.27 -0.33 -4.98 117.38 124.40 1y9x n GLN 32 Ca 0.17 0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.25 1y9x n GLN 32 Cb 0.45 -1.54 0.00 0.00 2.41 0.00 0.00 30.24 31.56 1y9x n GLN 32 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1y9x n GLY 33 N 1.74 0.39 3.37 1.69 0.00 -0.63 -5.07 105.19 106.68 1y9x n GLY 33 Ca -0.32 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 4.90 -0.28 1.61 1.01 -0.25 -4.88 120.40 122.51 1y9x s VAL 34 Ca 0.00 -1.05 0.19 0.00 0.00 0.00 0.00 61.98 61.13 1y9x s VAL 34 Cb 0.00 -4.44 0.21 0.00 0.00 0.00 0.00 36.38 32.14 1y9x s VAL 34 CO 0.00 -1.05 1.55 0.77 0.00 0.00 0.00 175.10 176.37 1y9x h SER 35 N 9.12 0.00 -3.50 3.32 4.64 -1.80 -3.10 113.55 122.22 1y9x h SER 35 Ca -0.29 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.44 1y9x h SER 35 Cb 1.09 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.80 1y9x h SER 35 CO 1.08 0.24 -0.79 -0.70 -0.87 0.00 0.00 176.83 175.79 1y9x s GLU 36 N -3.12 1.54 0.29 4.77 2.12 -1.26 -0.59 118.70 122.46 1y9x s GLU 36 Ca 0.05 -0.81 0.11 0.00 0.36 0.00 0.00 54.97 54.68 1y9x s GLU 36 Cb 0.06 -2.40 -0.05 0.00 0.26 0.00 0.00 34.13 32.01 1y9x s GLU 36 CO 0.70 -0.54 -0.16 0.96 -0.54 0.00 0.00 175.26 175.67 1y9x s ILE 37 N 1.49 2.48 -0.09 -3.70 -0.00 -0.85 -4.97 121.20 115.56 1y9x s ILE 37 Ca -0.03 -2.33 0.01 0.00 -0.00 0.00 0.00 60.65 58.30 1y9x s ILE 37 Cb -0.18 -2.41 0.02 0.00 -0.00 0.00 0.00 42.46 39.89 1y9x s ILE 37 CO -0.07 -0.35 -0.11 -0.69 -0.00 0.00 0.00 174.94 173.72 1y9x s VAL 38 N -2.52 1.11 -0.24 8.37 1.01 -0.10 -2.37 120.40 125.66 1y9x s VAL 38 Ca 0.31 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 1y9x s VAL 38 Cb -0.03 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1y9x s VAL 38 CO 0.16 0.36 0.07 -0.63 0.00 0.00 0.00 175.10 175.06 1y9x s ILE 39 N 1.10 4.39 -0.20 2.22 1.01 0.41 -1.91 121.20 128.21 1y9x s ILE 39 Ca -0.06 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1y9x s ILE 39 Cb -0.14 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.30 1y9x s ILE 39 CO -0.01 0.35 -0.16 -0.54 0.00 0.00 0.00 174.94 174.57 1y9x s LYS 40 N 1.51 2.92 0.06 2.79 1.02 -0.58 -0.76 119.74 126.70 1y9x s LYS 40 Ca 0.06 -0.89 0.05 0.00 0.02 0.00 0.00 55.97 55.21 1y9x s LYS 40 Cb -0.15 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 1y9x s LYS 40 CO 0.04 -0.27 -0.03 0.00 -0.92 0.00 0.00 175.35 174.17 1y9x s ALA 41 N 1.29 3.17 0.03 5.17 0.00 -0.80 -2.23 121.76 128.39 1y9x s ALA 41 Ca 0.03 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 50.97 1y9x s ALA 41 Cb -0.14 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 1y9x s ALA 41 CO -0.10 0.66 -0.23 1.03 0.00 0.00 0.00 175.76 177.12 1y9x s ARG 42 N -2.01 1.63 6.62 0.00 0.52 -1.26 -1.54 118.95 122.90 1y9x s ARG 42 Ca 0.22 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 1y9x s ARG 42 Cb -0.11 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1y9x s ARG 42 CO 0.14 0.45 0.00 0.41 0.02 0.00 0.00 175.30 176.32 1y9x n GLY 43 N 1.94 1.32 0.63 -3.53 0.00 0.80 -2.63 105.19 103.72 1y9x n GLY 43 Ca -0.17 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.43 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 12.63 1.81 0.00 1.61 1.85 -1.26 -3.72 116.66 129.58 1y9x n ARG 44 Ca 0.00 -1.24 0.15 0.00 -1.00 0.00 0.00 57.85 55.76 1y9x n ARG 44 Cb 0.00 -1.38 0.76 0.00 -1.05 0.00 0.00 32.46 30.79 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 0.47 2.64 -0.26 2.89 0.00 -1.08 -3.77 120.51 121.40 1y9x n ALA 45 Ca 0.16 -0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1y9x n ALA 45 Cb 0.35 -1.43 0.37 0.00 0.00 0.00 0.00 19.45 18.74 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 0.36 0.86 0.00 0.00 2.04 -1.77 0.14 117.51 119.14 1y9x h ILE 46 Ca 0.00 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1y9x h ILE 46 Cb 0.23 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1y9x h ILE 46 CO 0.00 0.13 -0.15 -1.28 0.00 0.00 0.00 178.15 176.85 1y9x h SER 47 N 0.71 0.00 1.01 1.72 0.87 -1.90 -2.41 113.55 113.55 1y9x h SER 47 Ca 0.44 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.81 1y9x h SER 47 Cb 0.66 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 1y9x h SER 47 CO -0.20 0.15 -1.04 0.11 -0.53 0.00 0.00 176.83 175.33 1y9x h LYS 48 N 0.00 0.00 -0.30 2.24 1.57 -1.24 -2.88 116.57 115.97 1y9x h LYS 48 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1y9x h LYS 48 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1y9x h LYS 48 CO 0.02 0.66 -0.12 0.00 -0.57 0.00 0.00 179.45 179.44 1y9x h ALA 49 N 1.21 0.42 -0.15 3.86 0.00 -1.24 -0.68 119.26 122.67 1y9x h ALA 49 Ca -0.08 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1y9x h ALA 49 Cb 1.67 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1y9x h ALA 49 CO 0.09 0.29 -0.56 -0.24 0.00 0.00 0.00 179.25 178.83 1y9x h VAL 50 N 0.36 1.34 -0.27 0.00 3.04 -1.60 -2.59 116.25 116.54 1y9x h VAL 50 Ca 0.07 -1.83 -0.00 0.00 -1.01 0.00 0.00 66.70 63.92 1y9x h VAL 50 Cb 0.64 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 1y9x h VAL 50 CO 0.04 0.56 0.17 -0.78 -1.01 0.00 0.00 177.57 176.55 1y9x h ASP 51 N 0.35 0.32 0.16 3.17 3.58 -1.39 0.15 116.42 122.76 1y9x h ASP 51 Ca 0.00 -0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.43 1y9x h ASP 51 Cb 1.09 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 42.02 1y9x h ASP 51 CO 0.10 0.27 -0.35 0.74 -2.88 0.00 0.00 179.24 177.11 1y9x h THR 52 N 0.35 0.26 0.00 2.25 2.02 -1.01 -1.23 112.91 115.56 1y9x h THR 52 Ca 0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 1y9x h THR 52 Cb -0.00 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1y9x h THR 52 CO -0.02 0.00 -0.17 -0.37 0.37 0.00 0.00 175.52 175.33 1y9x h VAL 53 N -0.60 0.41 -0.05 3.16 -1.51 -1.29 -2.58 116.25 113.79 1y9x h VAL 53 Ca 0.02 -1.01 -0.22 0.00 -1.23 0.00 0.00 66.70 64.26 1y9x h VAL 53 Cb 0.62 1.74 0.01 0.00 -2.13 0.00 0.00 31.29 31.52 1y9x h VAL 53 CO -0.18 0.17 -0.88 -0.08 -1.23 0.00 0.00 177.57 175.36 1y9x h GLU 54 N 0.00 0.55 0.01 5.19 4.81 -0.30 -2.98 114.58 121.86 1y9x h GLU 54 Ca -0.00 -0.53 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1y9x h GLU 54 Cb 0.73 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1y9x h GLU 54 CO 0.02 1.15 -0.00 0.82 -0.73 0.00 0.00 179.01 180.27 1y9x h ILE 55 N 0.34 1.07 -0.73 2.32 2.04 -0.92 -3.01 117.51 118.62 1y9x h ILE 55 Ca -0.07 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.66 1y9x h ILE 55 Cb 1.51 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 38.73 1y9x h ILE 55 CO 0.16 0.06 0.39 0.58 0.00 0.00 0.00 178.15 179.34 1y9x h VAL 56 N -0.10 0.88 0.00 1.67 2.07 -1.54 -0.54 116.25 118.70 1y9x h VAL 56 Ca -0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1y9x h VAL 56 Cb 0.10 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1y9x h VAL 56 CO 0.00 0.12 0.00 0.54 0.02 0.00 0.00 177.57 178.25 1y9x n ARG 57 N -4.82 0.57 -0.29 1.57 1.74 -1.13 -2.34 116.66 111.98 1y9x n ARG 57 Ca 0.11 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.20 1y9x n ARG 57 Cb 0.26 -1.35 0.01 0.00 -1.02 0.00 0.00 32.46 30.36 1y9x n ARG 57 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1y9x n ASN 58 N -0.85 0.28 0.06 0.55 4.05 -0.27 -4.02 115.26 115.05 1y9x n ASN 58 Ca 0.09 -1.77 0.00 0.00 0.45 0.00 0.00 54.58 53.35 1y9x n ASN 58 Cb 0.04 -0.15 0.00 0.00 1.23 0.00 0.00 39.78 40.91 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 -0.14 0.00 -0.08 1.20 0.63 -0.81 -4.96 116.66 112.50 1y9x n ARG 59 Ca 0.01 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.84 1y9x n ARG 59 Cb 0.61 -0.18 -0.09 0.00 0.45 0.00 0.00 32.46 33.26 1y9x n ARG 59 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1y9x n PHE 60 N -3.12 0.00 -3.77 -0.14 7.35 -1.12 -4.89 117.46 111.78 1y9x n PHE 60 Ca 0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 1y9x n PHE 60 Cb 0.00 -0.66 -0.15 0.00 0.35 0.00 0.00 39.48 39.01 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 -5.69 2.09 0.00 -2.13 1.43 -1.06 -5.00 118.68 108.32 1y9x s LEU 61 Ca -0.18 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.53 1y9x s LEU 61 Cb 0.05 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.41 1y9x s LEU 61 CO 0.44 -0.36 0.00 0.00 0.23 0.00 0.00 176.35 176.66 1y9x n ALA 62 N 4.86 0.00 1.00 4.21 0.00 -1.26 -3.59 120.51 125.73 1y9x n ALA 62 Ca -0.05 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.33 1y9x n ALA 62 Cb 0.44 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.16 1y9x n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1y9x n ASP 63 N -2.10 1.89 -0.90 0.00 9.92 -1.26 -3.81 116.55 120.29 1y9x n ASP 63 Ca 0.00 -1.85 0.03 0.00 -0.53 0.00 0.00 54.79 52.45 1y9x n ASP 63 Cb 0.00 -0.18 0.22 0.00 -0.64 0.00 0.00 41.12 40.52 1y9x n ASP 63 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1y9x n LYS 64 N 0.49 2.27 -3.83 -1.24 5.02 -1.26 -4.98 118.16 114.64 1y9x n LYS 64 Ca 0.15 -2.96 -0.11 0.00 -2.02 0.00 0.00 58.31 53.37 1y9x n LYS 64 Cb 0.34 -1.79 -0.08 0.00 -0.02 0.00 0.00 35.03 33.47 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 -3.01 0.09 0.34 -0.18 2.07 -1.25 -4.53 121.20 114.73 1y9x s ILE 65 Ca 0.42 -0.78 0.05 0.00 -1.41 0.00 0.00 60.65 58.93 1y9x s ILE 65 Cb 0.36 -0.81 -0.07 0.00 0.13 0.00 0.00 42.46 42.07 1y9x s ILE 65 CO 0.04 -0.43 0.02 -1.83 -1.91 0.00 0.00 174.94 170.84 1y9x s GLU 66 N -2.24 1.73 -0.11 3.50 -1.05 -1.00 -4.98 118.70 114.55 1y9x s GLU 66 Ca -0.08 -1.95 -0.02 0.00 -0.15 0.00 0.00 54.97 52.77 1y9x s GLU 66 Cb -0.02 -1.15 -0.03 0.00 -0.44 0.00 0.00 34.13 32.49 1y9x s GLU 66 CO -0.02 -0.11 -0.04 0.42 0.95 0.00 0.00 175.26 176.46 1y9x s ILE 67 N -3.07 3.92 -0.05 1.83 1.01 -1.26 -2.99 121.20 120.59 1y9x s ILE 67 Ca 0.35 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 1y9x s ILE 67 Cb 0.08 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 1y9x s ILE 67 CO 0.16 0.56 -0.04 0.50 0.00 0.00 0.00 174.94 176.11 1y9x h LYS 68 N 5.81 0.00 -1.86 2.79 1.63 -1.53 -3.46 116.57 119.95 1y9x h LYS 68 Ca -0.42 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.37 1y9x h LYS 68 Cb 1.18 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.60 1y9x h LYS 68 CO 0.57 0.00 0.27 -2.00 -3.45 0.00 0.00 179.45 174.84 1y9x s GLU 69 N -1.36 0.83 -0.16 1.90 2.12 -0.79 -5.01 118.70 116.22 1y9x s GLU 69 Ca -0.04 0.51 -0.00 0.00 0.36 0.00 0.00 54.97 55.80 1y9x s GLU 69 Cb 0.00 0.40 0.04 0.00 0.26 0.00 0.00 34.13 34.83 1y9x s GLU 69 CO 0.05 -0.20 -0.07 0.42 -0.54 0.00 0.00 175.26 174.92 1y9x s ILE 70 N -0.50 1.25 -0.05 -3.70 1.01 -1.26 -0.99 121.20 116.96 1y9x s ILE 70 Ca -0.04 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.01 1y9x s ILE 70 Cb -0.02 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 1y9x s ILE 70 CO 0.03 0.20 -0.24 -0.13 0.00 0.00 0.00 174.94 174.81 1y9x s ARG 71 N 1.58 2.33 -0.08 2.79 0.52 -0.36 -4.98 118.95 120.74 1y9x s ARG 71 Ca 0.01 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 1y9x s ARG 71 Cb -0.15 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.31 1y9x s ARG 71 CO -0.08 0.38 -0.22 0.08 0.02 0.00 0.00 175.30 175.48 1y9x s VAL 72 N -0.19 1.85 0.00 3.52 1.01 -1.26 0.19 120.40 125.52 1y9x s VAL 72 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1y9x s VAL 72 Cb -0.13 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1y9x s VAL 72 CO 0.03 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1y9x n GLY 73 N 3.44 3.45 2.82 4.51 0.00 0.63 -4.99 105.19 115.06 1y9x n GLY 73 Ca -0.19 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 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 0.62 3.07 -0.05 1.61 1.04 -1.26 -0.22 113.70 118.50 1y9x s SER 74 Ca 0.00 -0.85 -0.22 0.00 0.48 0.00 0.00 55.95 55.36 1y9x s SER 74 Cb 0.00 -0.79 -0.04 0.00 0.10 0.00 0.00 66.02 65.29 1y9x s SER 74 CO 0.00 -0.26 0.65 -1.58 0.98 0.00 0.00 173.24 173.03 1y9x s GLN 75 N 1.71 4.41 -0.29 4.02 0.74 0.80 -4.79 119.66 126.25 1y9x s GLN 75 Ca -0.02 0.81 -0.20 0.00 0.05 0.00 0.00 55.36 56.00 1y9x s GLN 75 Cb -0.17 -3.42 -0.01 0.00 1.10 0.00 0.00 33.01 30.51 1y9x s GLN 75 CO -0.07 0.16 0.60 0.08 -0.55 0.00 0.00 175.29 175.50 1y9x s VAL 76 N 0.51 4.98 0.13 1.34 1.01 -1.26 0.10 120.40 127.20 1y9x s VAL 76 Ca 0.35 0.88 0.05 0.00 0.00 0.00 0.00 61.98 63.26 1y9x s VAL 76 Cb -0.18 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1y9x s VAL 76 CO 0.17 -0.06 -0.13 0.68 0.00 0.00 0.00 175.10 175.76 1y9x s VAL 77 N 2.51 1.27 -0.28 2.92 -7.23 0.34 -4.95 120.40 114.97 1y9x s VAL 77 Ca 0.24 -1.80 -0.14 0.00 -1.81 0.00 0.00 61.98 58.47 1y9x s VAL 77 Cb -0.15 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1y9x s VAL 77 CO 0.11 -0.51 0.33 0.42 -0.31 0.00 0.00 175.10 175.14 1y9x s THR 78 N -2.44 5.20 0.38 5.32 -4.23 -1.26 -0.30 115.64 118.32 1y9x s THR 78 Ca 0.11 0.38 0.11 0.00 -1.18 0.00 0.00 61.69 61.11 1y9x s THR 78 Cb -0.03 -3.68 0.13 0.00 1.34 0.00 0.00 72.50 70.26 1y9x s THR 78 CO 0.02 0.13 1.87 0.28 -0.54 0.00 0.00 174.62 176.39 1y9x h SER 79 N 8.27 0.13 0.00 3.99 0.02 -1.09 -3.45 113.55 121.42 1y9x h SER 79 Ca -0.32 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1y9x h SER 79 Cb 1.17 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1y9x h SER 79 CO 0.63 0.38 0.00 1.67 -1.14 0.00 0.00 176.83 178.37 1y9x n GLN 80 N -4.20 0.00 0.00 3.45 7.27 -1.26 -5.04 117.38 117.60 1y9x n GLN 80 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1y9x n GLN 80 Cb 0.33 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.98 1y9x n GLN 80 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1y9x n ASP 81 N -0.96 0.00 -0.06 1.69 9.92 -1.26 -4.88 116.55 120.99 1y9x n ASP 81 Ca 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.34 1y9x n ASP 81 Cb 0.00 0.00 0.12 0.00 -0.64 0.00 0.00 41.12 40.60 1y9x n ASP 81 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1y9x n GLY 82 N 2.74 4.53 3.53 0.44 0.00 -1.26 -4.91 105.19 110.26 1y9x n GLY 82 Ca 0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.54 3.25 -0.18 1.61 0.52 -1.26 -4.98 118.95 115.37 1y9x s ARG 83 Ca 0.26 -0.26 -0.22 0.00 -0.52 0.00 0.00 55.73 54.99 1y9x s ARG 83 Cb 0.23 -4.15 -0.02 0.00 0.52 0.00 0.00 34.95 31.53 1y9x s ARG 83 CO 0.02 -1.94 0.68 -0.65 0.02 0.00 0.00 175.30 173.44 1y9x s GLN 84 N 5.11 4.25 0.07 3.54 -0.21 -1.26 -0.39 119.66 130.77 1y9x s GLN 84 Ca 0.34 0.73 0.07 0.00 0.02 0.00 0.00 55.36 56.52 1y9x s GLN 84 Cb -0.10 -3.56 -0.03 0.00 1.00 0.00 0.00 33.01 30.32 1y9x s GLN 84 CO 0.16 -0.23 -0.19 0.45 -2.12 0.00 0.00 175.29 173.36 1y9x s SER 85 N 1.14 2.31 -0.08 5.90 0.15 0.59 -4.94 113.70 118.78 1y9x s SER 85 Ca 0.32 -0.58 -0.11 0.00 0.70 0.00 0.00 55.95 56.28 1y9x s SER 85 Cb -0.16 -0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 63.95 1y9x s SER 85 CO 0.11 0.08 0.26 -0.13 1.20 0.00 0.00 173.24 174.76 1y9x s ARG 86 N -1.49 3.70 -0.18 5.44 0.52 -1.26 -0.51 118.95 125.17 1y9x s ARG 86 Ca 0.05 0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.37 1y9x s ARG 86 Cb -0.09 -3.22 0.03 0.00 0.52 0.00 0.00 34.95 32.19 1y9x s ARG 86 CO 0.03 0.70 -0.13 0.08 0.02 0.00 0.00 175.30 175.99 1y9x s VAL 87 N -0.92 1.68 0.15 3.52 1.01 0.11 -4.90 120.40 121.06 1y9x s VAL 87 Ca 0.18 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 1y9x s VAL 87 Cb -0.14 -1.66 -0.11 0.00 0.00 0.00 0.00 36.38 34.48 1y9x s VAL 87 CO 0.08 0.32 1.75 -0.44 0.00 0.00 0.00 175.10 176.80 1y9x s SER 88 N 1.41 6.44 0.10 3.32 0.01 -1.26 -0.14 113.70 123.59 1y9x s SER 88 Ca 0.02 2.76 0.07 0.00 1.31 0.00 0.00 55.95 60.10 1y9x s SER 88 Cb -0.15 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 1y9x s SER 88 CO -0.10 -0.96 -0.17 0.42 0.41 0.00 0.00 173.24 172.84 1y9x s THR 89 N 1.99 1.44 -0.07 1.44 -4.23 0.70 -0.14 115.64 116.77 1y9x s THR 89 Ca 0.77 -1.56 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1y9x s THR 89 Cb -0.47 -1.43 0.02 0.00 1.34 0.00 0.00 72.50 71.96 1y9x s THR 89 CO 0.34 -0.23 -0.10 -0.51 -0.54 0.00 0.00 174.62 173.57 1y9x s ILE 90 N -1.55 1.02 -0.36 2.99 2.07 -0.59 -0.26 121.20 124.51 1y9x s ILE 90 Ca 0.05 -0.39 -0.05 0.00 -1.41 0.00 0.00 60.65 58.85 1y9x s ILE 90 Cb -0.08 -0.96 0.07 0.00 0.13 0.00 0.00 42.46 41.62 1y9x s ILE 90 CO 0.04 0.33 0.13 -1.61 -1.91 0.00 0.00 174.94 171.92 1y9x s GLU 91 N 0.84 2.40 -0.29 3.50 2.02 0.13 -1.91 118.70 125.39 1y9x s GLU 91 Ca -0.11 -1.43 -0.09 0.00 0.02 0.00 0.00 54.97 53.35 1y9x s GLU 91 Cb -0.15 -3.48 -0.02 0.00 0.10 0.00 0.00 34.13 30.58 1y9x s GLU 91 CO 0.02 -0.82 0.14 0.42 0.02 0.00 0.00 175.26 175.04 1y9x s ILE 92 N 1.30 4.66 -0.08 -1.63 1.01 0.06 -1.23 121.20 125.29 1y9x s ILE 92 Ca 0.01 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.43 1y9x s ILE 92 Cb -0.21 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1y9x s ILE 92 CO -0.00 0.15 -0.22 0.00 0.00 0.00 0.00 174.94 174.86 1y9x s ALA 93 N 1.64 2.27 0.03 9.38 0.00 -0.16 -0.45 121.76 134.47 1y9x s ALA 93 Ca 0.05 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1y9x s ALA 93 Cb -0.16 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1y9x s ALA 93 CO 0.06 0.38 -0.04 0.96 0.00 0.00 0.00 175.76 177.12 1y9x s ILE 94 N -0.02 0.25 0.14 0.00 -4.36 -1.00 -1.37 121.20 114.85 1y9x s ILE 94 Ca -0.07 -1.08 0.05 0.00 -0.26 0.00 0.00 60.65 59.29 1y9x s ILE 94 Cb -0.15 -0.52 -0.04 0.00 1.25 0.00 0.00 42.46 43.00 1y9x s ILE 94 CO 0.05 -0.53 -0.11 0.00 0.24 0.00 0.00 174.94 174.58 1y9x s ARG 95 N -1.81 1.06 -0.16 0.37 1.70 -1.16 -2.01 118.95 116.94 1y9x s ARG 95 Ca -0.11 -1.39 0.00 0.00 -0.47 0.00 0.00 55.73 53.75 1y9x s ARG 95 Cb -0.08 -0.73 0.03 0.00 -0.57 0.00 0.00 34.95 33.60 1y9x s ARG 95 CO -0.02 0.11 -0.09 0.21 -1.08 0.00 0.00 175.30 174.43 1y9x s LYS 96 N -3.41 1.80 0.00 3.89 2.36 0.25 -2.38 119.74 122.25 1y9x s LYS 96 Ca 0.15 -0.53 0.30 0.00 -2.55 0.00 0.00 55.97 53.33 1y9x s LYS 96 Cb 0.00 -2.02 1.50 0.00 -1.05 0.00 0.00 37.83 36.26 1y9x s LYS 96 CO 0.02 -0.34 2.00 1.63 1.55 0.00 0.00 175.35 180.20