#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oay s VAL 3 N 0.00 4.78 -0.51 0.00 1.01 -1.26 -4.94 120.40 119.49 1oay s VAL 3 Ca 0.00 2.02 -0.13 0.00 0.00 0.00 0.00 61.98 63.87 1oay s VAL 3 Cb 0.00 -4.30 0.12 0.00 0.00 0.00 0.00 36.38 32.20 1oay s VAL 3 CO 0.00 0.07 0.43 -0.69 0.00 0.00 0.00 175.10 174.92 1oay s VAL 4 N 1.56 4.81 0.43 2.92 1.01 -1.26 -2.69 120.40 127.17 1oay s VAL 4 Ca 0.50 -1.59 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1oay s VAL 4 Cb -0.20 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1oay s VAL 4 CO 0.23 -0.81 0.64 -0.89 0.00 0.00 0.00 175.10 174.26 1oay s THR 5 N 1.51 4.10 0.48 3.92 2.01 -1.05 -3.70 115.64 122.90 1oay s THR 5 Ca 0.04 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.53 1oay s THR 5 Cb -0.28 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1oay s THR 5 CO 0.02 -0.33 0.67 -1.61 -0.69 0.00 0.00 174.62 172.68 1oay s GLU 7 N -4.50 2.74 -0.04 4.92 8.01 -1.26 -0.53 118.70 128.04 1oay s GLU 7 Ca 0.47 -0.90 -0.22 0.00 0.01 0.00 0.00 54.97 54.33 1oay s GLU 7 Cb -0.10 -2.61 -0.17 0.00 -4.31 0.00 0.00 34.13 26.95 1oay s GLU 7 CO 0.37 -0.46 0.96 1.03 0.01 0.00 0.00 175.26 177.17 1oay h SER 8 N 0.35 -0.18 -4.88 -0.19 0.87 -2.00 -3.38 113.55 104.15 1oay h SER 8 Ca -0.42 -0.36 0.01 0.00 -1.23 0.00 0.00 61.79 59.78 1oay h SER 8 Cb 1.28 0.05 -0.14 0.00 -0.44 0.00 0.00 62.40 63.15 1oay h SER 8 CO 0.51 0.35 0.29 0.00 -0.53 0.00 0.00 176.83 177.45 1oay s ALA 9 N -3.87 -1.69 0.13 6.23 0.00 -1.26 -3.10 121.76 118.18 1oay s ALA 9 Ca -0.13 0.79 0.04 0.00 0.00 0.00 0.00 51.96 52.66 1oay s ALA 9 Cb 0.01 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1oay s ALA 9 CO 0.51 -0.67 -0.10 -0.51 0.00 0.00 0.00 175.76 174.99 1oay s LEU 10 N -2.37 2.48 -0.23 0.00 1.43 -1.18 -4.94 118.68 113.87 1oay s LEU 10 Ca -0.00 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.15 1oay s LEU 10 Cb -0.01 -0.34 0.07 0.00 0.03 0.00 0.00 46.19 45.95 1oay s LEU 10 CO -0.08 -0.30 0.05 -0.89 0.23 0.00 0.00 176.35 175.36 1oay s THR 11 N -2.96 0.64 0.24 5.49 2.01 -1.26 -2.50 115.64 117.31 1oay s THR 11 Ca 0.12 -0.81 0.09 0.00 0.31 0.00 0.00 61.69 61.40 1oay s THR 11 Cb 0.00 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1oay s THR 11 CO 0.00 -0.34 -0.01 0.28 -0.69 0.00 0.00 174.62 173.86 1oay s THR 12 N 1.78 3.46 0.32 -0.82 -1.32 -1.20 -5.02 115.64 112.85 1oay s THR 12 Ca 0.02 -1.82 0.04 0.00 -1.21 0.00 0.00 61.69 58.71 1oay s THR 12 Cb -0.17 -2.82 -0.02 0.00 -1.51 0.00 0.00 72.50 67.98 1oay s THR 12 CO -0.13 -0.31 0.48 -0.44 -2.21 0.00 0.00 174.62 172.01 1oay s SER 13 N -3.48 6.15 -0.00 8.08 0.01 -1.26 -2.79 113.70 120.41 1oay s SER 13 Ca 0.30 0.13 -0.30 0.00 1.31 0.00 0.00 55.95 57.40 1oay s SER 13 Cb -0.07 -1.70 -0.07 0.00 0.21 0.00 0.00 66.02 64.39 1oay s SER 13 CO 0.19 -0.31 1.84 -2.84 0.41 0.00 0.00 173.24 172.53 1oay s PRO 14 N -4.20 4.15 0.00 12.44 0.02 -1.26 -2.68 135.00 143.47 1oay s PRO 14 Ca 0.40 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.85 1oay s PRO 14 Cb -0.09 -4.09 0.00 0.00 0.02 0.00 0.00 34.50 30.34 1oay s PRO 14 CO 0.33 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 1oay n GLY 15 N 4.38 2.42 3.87 0.52 0.00 -1.06 -4.94 105.19 110.38 1oay n GLY 15 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1oay n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oay s GLU 16 N -0.17 3.67 0.07 1.61 0.41 -1.09 -4.10 118.70 119.10 1oay s GLU 16 Ca 0.00 0.77 -0.15 0.00 -0.41 0.00 0.00 54.97 55.18 1oay s GLU 16 Cb 0.00 -2.10 -0.06 0.00 -1.78 0.00 0.00 34.13 30.18 1oay s GLU 16 CO 0.00 -0.49 0.49 0.99 -0.49 0.00 0.00 175.26 175.76 1oay s THR 17 N -3.04 4.92 -0.01 3.63 2.01 -1.26 -2.90 115.64 118.99 1oay s THR 17 Ca 0.56 0.87 0.00 0.00 0.31 0.00 0.00 61.69 63.43 1oay s THR 17 Cb -0.11 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.66 1oay s THR 17 CO 0.49 0.43 -0.01 0.54 -0.69 0.00 0.00 174.62 175.38 1oay s VAL 18 N -1.25 0.13 -0.28 3.82 0.11 -1.21 -5.00 120.40 116.73 1oay s VAL 18 Ca 0.30 -0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.33 1oay s VAL 18 Cb -0.16 -0.16 0.04 0.00 -1.53 0.00 0.00 36.38 34.57 1oay s VAL 18 CO 0.17 0.07 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.10 1oay s THR 19 N 0.35 2.94 0.61 5.04 2.01 -1.26 -2.07 115.64 123.26 1oay s THR 19 Ca -0.03 -1.27 -0.07 0.00 0.31 0.00 0.00 61.69 60.63 1oay s THR 19 Cb -0.05 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.83 1oay s THR 19 CO -0.01 -0.00 0.94 -0.76 -0.69 0.00 0.00 174.62 174.10 1oay s LEU 20 N 1.27 3.19 0.21 4.42 1.02 -1.21 -4.95 118.68 122.63 1oay s LEU 20 Ca -0.04 0.85 -0.00 0.00 0.02 0.00 0.00 54.13 54.96 1oay s LEU 20 Cb -0.19 -3.68 -0.04 0.00 0.02 0.00 0.00 46.19 42.29 1oay s LEU 20 CO -0.02 -1.08 0.10 0.42 0.02 0.00 0.00 176.35 175.79 1oay s THR 21 N -3.06 0.24 -0.48 5.49 -4.23 -1.26 -3.03 115.64 109.32 1oay s THR 21 Ca 0.54 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 59.12 1oay s THR 21 Cb -0.11 -2.48 0.19 0.00 1.34 0.00 0.00 72.50 71.44 1oay s THR 21 CO 0.47 -0.07 0.61 0.00 -0.54 0.00 0.00 174.62 175.09 1oay s ARG 23 N 0.49 2.99 0.04 0.00 3.52 0.31 -3.51 118.95 122.79 1oay s ARG 23 Ca 0.31 1.67 0.07 0.00 -0.13 0.00 0.00 55.73 57.65 1oay s ARG 23 Cb 0.04 -1.95 -0.03 0.00 -1.56 0.00 0.00 34.95 31.45 1oay s ARG 23 CO -0.12 -1.15 -0.19 0.45 -0.81 0.00 0.00 175.30 173.48 1oay s SER 24 N -1.87 3.71 0.10 -2.12 0.15 -1.26 -2.51 113.70 109.89 1oay s SER 24 Ca 0.74 -0.44 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 1oay s SER 24 Cb -0.26 -0.57 -0.20 0.00 -1.71 0.00 0.00 66.02 63.27 1oay s SER 24 CO 0.34 0.26 1.20 0.77 1.20 0.00 0.00 173.24 177.01 1oay h SER 25 N 4.63 0.51 -0.66 5.45 4.64 -1.87 -3.32 113.55 122.92 1oay h SER 25 Ca -0.47 -0.48 -0.08 0.00 -0.47 0.00 0.00 61.79 60.29 1oay h SER 25 Cb 1.15 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1oay h SER 25 CO 0.47 1.33 0.10 0.71 -0.87 0.00 0.00 176.83 178.57 1oay h THR 26 N 0.15 1.26 0.00 2.95 1.35 -1.96 -3.49 112.91 113.17 1oay h THR 26 Ca -0.12 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1oay h THR 26 Cb 1.81 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1oay h THR 26 CO 0.19 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1oay n GLY 27 N -0.56 -0.87 3.79 5.82 0.00 -1.25 -5.15 105.19 106.98 1oay n GLY 27 Ca 0.04 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1oay n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oay s ALA 28 N -1.00 3.14 -0.10 4.61 0.00 -1.26 -4.19 121.76 122.95 1oay s ALA 28 Ca 0.00 0.53 -0.26 0.00 0.00 0.00 0.00 51.96 52.23 1oay s ALA 28 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 1oay s ALA 28 CO 0.00 0.07 0.83 0.08 0.00 0.00 0.00 175.76 176.74 1oay s VAL 29 N -1.77 4.93 0.35 0.00 1.01 -1.15 -5.01 120.40 118.75 1oay s VAL 29 Ca 0.55 1.68 0.02 0.00 0.00 0.00 0.00 61.98 64.22 1oay s VAL 29 Cb -0.17 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1oay s VAL 29 CO 0.22 0.12 0.13 0.35 0.00 0.00 0.00 175.10 175.92 1oay n THR 30 N 4.27 0.00 0.42 3.92 -2.24 -1.26 -4.69 114.28 114.69 1oay n THR 30 Ca 0.03 -1.51 0.13 0.00 -2.27 0.00 0.00 64.05 60.44 1oay n THR 30 Cb 0.50 0.08 0.45 0.00 -2.10 0.00 0.00 70.33 69.26 1oay n THR 30 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1oay h THR 31 N 0.91 0.00 0.00 4.28 1.35 -1.99 -3.01 112.91 114.45 1oay h THR 31 Ca -0.25 -0.47 -0.03 0.00 -0.55 0.00 0.00 66.41 65.11 1oay h THR 31 Cb 0.83 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1oay h THR 31 CO 0.41 0.00 -0.12 0.77 -0.25 0.00 0.00 175.52 176.33 1oay h SER 32 N 0.00 0.00 1.41 5.36 4.64 -1.95 -2.99 113.55 120.02 1oay h SER 32 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1oay h SER 32 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1oay h SER 32 CO 0.00 0.12 -0.28 0.78 -0.87 0.00 0.00 176.83 176.58 1oay h ASN 33 N 0.00 0.00 -5.97 4.97 -0.26 -1.71 -3.45 115.58 109.17 1oay h ASN 33 Ca -0.00 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.47 1oay h ASN 33 Cb 0.64 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 37.94 1oay h ASN 33 CO 0.02 0.28 -0.62 -1.22 -1.06 0.00 0.00 177.43 174.82 1oay n TYR 34 N -3.24 -2.40 -1.65 1.19 4.02 -1.13 -1.31 117.16 112.64 1oay n TYR 34 Ca 0.02 0.84 -0.42 0.00 -0.01 0.00 0.00 57.90 58.32 1oay n TYR 34 Cb 0.57 -3.59 -0.03 0.00 -0.02 0.00 0.00 39.34 36.28 1oay n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1oay s ALA 35 N -3.17 3.24 0.41 -0.72 0.00 -1.26 -3.81 121.76 116.45 1oay s ALA 35 Ca 0.18 1.10 0.04 0.00 0.00 0.00 0.00 51.96 53.28 1oay s ALA 35 Cb -0.06 -3.94 -0.00 0.00 0.00 0.00 0.00 23.12 19.13 1oay s ALA 35 CO 0.82 -2.07 0.58 -0.80 0.00 0.00 0.00 175.76 174.29 1oay s ASN 36 N 5.98 5.83 -0.20 0.00 0.01 -1.07 -2.93 114.94 122.56 1oay s ASN 36 Ca 0.93 -0.00 -0.13 0.00 -0.71 0.00 0.00 52.86 52.95 1oay s ASN 36 Cb -0.39 -1.28 0.06 0.00 0.41 0.00 0.00 41.25 40.06 1oay s ASN 36 CO 0.39 -0.63 0.50 0.26 -1.51 0.00 0.00 177.10 176.11 1oay s TRP 37 N -2.39 -0.69 0.01 2.20 0.52 -0.37 -2.83 118.94 115.38 1oay s TRP 37 Ca 0.48 1.49 0.01 0.00 0.02 0.00 0.00 56.10 58.10 1oay s TRP 37 Cb -0.10 0.32 -0.01 0.00 -1.15 0.00 0.00 33.47 32.53 1oay s TRP 37 CO 0.35 -0.36 -0.03 0.08 0.02 0.00 0.00 176.95 177.01 1oay s VAL 38 N 1.09 0.16 -0.26 4.03 1.01 -1.03 -1.83 120.40 123.57 1oay s VAL 38 Ca -0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1oay s VAL 38 Cb -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.12 1oay s VAL 38 CO -0.10 -0.17 -0.01 -1.58 0.00 0.00 0.00 175.10 173.23 1oay s GLN 39 N -0.64 3.04 -0.69 2.72 0.74 -1.07 -2.48 119.66 121.28 1oay s GLN 39 Ca -0.06 -0.86 -0.15 0.00 0.05 0.00 0.00 55.36 54.34 1oay s GLN 39 Cb -0.04 -3.11 0.17 0.00 1.10 0.00 0.00 33.01 31.13 1oay s GLN 39 CO -0.00 -0.37 0.65 -2.00 -0.55 0.00 0.00 175.29 173.02 1oay s GLU 40 N 1.41 3.31 0.85 1.67 2.12 -0.98 -2.48 118.70 124.60 1oay s GLU 40 Ca 0.02 -2.06 -0.11 0.00 0.36 0.00 0.00 54.97 53.18 1oay s GLU 40 Cb -0.16 -4.38 0.10 0.00 0.26 0.00 0.00 34.13 29.95 1oay s GLU 40 CO -0.02 -1.33 1.09 0.15 -0.54 0.00 0.00 175.26 174.61 1oay s LYS 41 N 0.98 1.64 1.04 4.30 -0.14 -0.86 -2.96 119.74 123.73 1oay s LYS 41 Ca 0.11 0.74 -0.14 0.00 -1.36 0.00 0.00 55.97 55.32 1oay s LYS 41 Cb -0.19 -1.86 0.14 0.00 -1.68 0.00 0.00 37.83 34.24 1oay s LYS 41 CO -0.03 -1.96 0.63 -2.30 -0.76 0.00 0.00 175.35 170.94 1oay n PRO 42 N -3.68 -1.19 -1.74 -1.68 -0.02 -1.26 -2.91 135.00 122.52 1oay n PRO 42 Ca 0.07 -0.31 -0.13 0.00 -2.02 0.00 0.00 63.50 61.11 1oay n PRO 42 Cb 0.56 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1oay n PRO 42 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1oay n ARG 43 N -3.19 -0.96 -3.28 -0.52 3.00 -1.26 -3.77 116.66 106.67 1oay n ARG 43 Ca 0.06 0.82 -0.08 0.00 -0.00 0.00 0.00 57.85 58.65 1oay n ARG 43 Cb 0.55 -4.95 0.01 0.00 0.00 0.00 0.00 32.46 28.07 1oay n ARG 43 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1oay n HIS 44 N -3.21 -2.68 -3.90 -0.14 8.25 -1.24 -5.01 115.22 107.29 1oay n HIS 44 Ca -0.14 1.02 -0.30 0.00 -0.26 0.00 0.00 57.72 58.04 1oay n HIS 44 Cb 0.51 -3.76 -0.15 0.00 1.12 0.00 0.00 29.99 27.71 1oay n HIS 44 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oay s LEU 45 N -4.42 3.78 0.19 2.41 1.02 -1.15 -5.04 118.68 115.48 1oay s LEU 45 Ca 0.04 -2.18 -0.09 0.00 0.02 0.00 0.00 54.13 51.92 1oay s LEU 45 Cb -0.01 -1.36 -0.07 0.00 0.02 0.00 0.00 46.19 44.78 1oay s LEU 45 CO 0.79 -0.36 0.49 -0.36 0.02 0.00 0.00 176.35 176.94 1oay s PHE 46 N 0.87 3.47 -0.28 0.29 0.40 -1.26 -2.04 117.98 119.43 1oay s PHE 46 Ca 0.12 0.81 -0.01 0.00 -0.60 0.00 0.00 56.93 57.25 1oay s PHE 46 Cb -0.20 -2.20 0.17 0.00 0.51 0.00 0.00 43.02 41.30 1oay s PHE 46 CO -0.11 0.35 0.53 0.99 0.70 0.00 0.00 175.22 177.68 1oay s THR 47 N -1.70 -0.87 -0.00 0.64 2.01 -1.04 -5.00 115.64 109.68 1oay s THR 47 Ca 0.43 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 1oay s THR 47 Cb -0.12 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.38 1oay s THR 47 CO 0.21 -0.05 1.68 -0.83 -0.69 0.00 0.00 174.62 174.95 1oay s GLY 48 N 2.75 1.55 -0.12 4.40 0.00 -1.26 -2.60 107.32 112.05 1oay s GLY 48 Ca 0.17 1.07 -0.07 0.00 0.00 0.00 0.00 44.72 45.89 1oay s GLY 48 CO -0.20 3.03 -0.15 1.04 0.00 0.00 0.00 173.10 176.82 1oay n LEU 49 N 6.65 1.48 -4.11 0.66 4.77 -0.76 -4.79 117.00 120.91 1oay n LEU 49 Ca 0.17 0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 56.58 1oay n LEU 49 Cb 0.42 -0.81 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 1oay n LEU 49 CO 0.63 -0.48 -0.41 -0.63 -1.33 0.00 0.00 177.39 175.17 1oay s ILE 50 N -2.02 0.71 0.11 -0.08 1.01 -1.21 -2.61 121.20 117.12 1oay s ILE 50 Ca -0.12 -1.25 -0.22 0.00 0.00 0.00 0.00 60.65 59.06 1oay s ILE 50 Cb 0.02 -0.87 0.06 0.00 0.01 0.00 0.00 42.46 41.68 1oay s ILE 50 CO 0.18 -0.40 0.54 -0.83 0.00 0.00 0.00 174.94 174.42 1oay s GLY 51 N -1.82 -0.49 -0.60 6.18 0.00 -1.04 -1.24 107.32 108.31 1oay s GLY 51 Ca -0.05 0.42 -0.04 0.00 0.00 0.00 0.00 44.72 45.06 1oay s GLY 51 CO 0.00 0.12 0.53 0.61 0.00 0.00 0.00 173.10 174.36 1oay n GLY 52 N -0.10 0.26 5.28 0.20 0.00 -1.24 -2.98 105.19 106.62 1oay n GLY 52 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1oay n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1oay n THR 53 N -3.51 0.00 -0.40 2.61 -1.04 -1.15 -4.03 114.28 106.76 1oay n THR 53 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1oay n THR 53 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1oay n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1oay n ASN 54 N 3.80 0.69 -4.61 8.00 6.94 -1.26 -3.97 115.26 124.85 1oay n ASN 54 Ca 0.00 -1.09 -0.42 0.00 -0.02 0.00 0.00 54.58 53.05 1oay n ASN 54 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 1oay n ASN 54 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1oay s ASN 55 N -0.09 6.68 0.46 0.53 -0.87 -1.16 -4.46 114.94 116.04 1oay s ASN 55 Ca 0.00 0.59 -0.20 0.00 -1.57 0.00 0.00 52.86 51.68 1oay s ASN 55 Cb 0.00 -2.45 -0.10 0.00 -0.02 0.00 0.00 41.25 38.68 1oay s ASN 55 CO 0.00 -0.80 0.98 -0.13 -2.57 0.00 0.00 177.10 174.59 1oay s ARG 56 N 3.34 4.04 0.51 -0.60 0.52 -1.26 -2.50 118.95 123.00 1oay s ARG 56 Ca 0.37 1.19 -0.09 0.00 -0.52 0.00 0.00 55.73 56.68 1oay s ARG 56 Cb -0.13 -2.14 -0.05 0.00 0.52 0.00 0.00 34.95 33.15 1oay s ARG 56 CO 0.17 -0.20 0.86 0.00 0.02 0.00 0.00 175.30 176.15 1oay s ALA 57 N -2.15 3.29 0.20 2.13 0.00 -1.07 -4.97 121.76 119.19 1oay s ALA 57 Ca 0.64 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1oay s ALA 57 Cb -0.12 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 1oay s ALA 57 CO 0.17 -0.37 1.43 -2.14 0.00 0.00 0.00 175.76 174.85 1oay s PRO 58 N -4.64 4.29 0.00 0.00 0.02 -1.26 -3.05 135.00 130.36 1oay s PRO 58 Ca 0.51 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.75 1oay s PRO 58 Cb -0.10 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1oay s PRO 58 CO 0.44 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 177.10 1oay n GLY 59 N 2.71 0.82 3.74 0.52 0.00 -1.26 -5.06 105.19 106.66 1oay n GLY 59 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1oay n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oay s VAL 60 N -2.40 5.03 0.41 1.61 1.01 -1.17 -5.04 120.40 119.85 1oay s VAL 60 Ca 0.00 1.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.95 1oay s VAL 60 Cb 0.00 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 1oay s VAL 60 CO 0.00 0.35 0.95 -2.65 0.00 0.00 0.00 175.10 173.75 1oay n PRO 61 N 3.27 1.23 0.17 2.72 -0.02 -1.26 -4.90 135.00 136.21 1oay n PRO 61 Ca -0.05 0.44 0.13 0.00 -2.02 0.00 0.00 63.50 62.00 1oay n PRO 61 Cb 0.51 -1.95 0.46 0.00 -0.02 0.00 0.00 33.50 32.49 1oay n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oay h ALA 62 N 1.45 1.00 -0.59 3.55 0.00 -1.99 -3.09 119.26 119.60 1oay h ALA 62 Ca -0.44 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1oay h ALA 62 Cb 1.35 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1oay h ALA 62 CO 0.56 0.00 0.39 0.07 0.00 0.00 0.00 179.25 180.27 1oay h ARG 63 N 0.00 0.68 -6.41 0.00 0.11 -1.90 -3.40 114.38 103.46 1oay h ARG 63 Ca 0.00 -0.04 -0.54 0.00 0.10 0.00 0.00 59.98 59.50 1oay h ARG 63 Cb 0.60 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 31.53 1oay h ARG 63 CO 0.00 0.45 0.72 -0.06 0.10 0.00 0.00 179.97 181.18 1oay s PHE 64 N -5.61 3.13 -0.02 4.08 0.40 -1.17 -2.75 117.98 116.04 1oay s PHE 64 Ca -0.09 1.05 -0.06 0.00 -0.60 0.00 0.00 56.93 57.22 1oay s PHE 64 Cb 0.18 -3.55 0.01 0.00 0.51 0.00 0.00 43.02 40.17 1oay s PHE 64 CO 0.75 -1.88 0.14 -1.54 0.70 0.00 0.00 175.22 173.39 1oay s SER 65 N 1.49 -0.04 0.04 1.36 1.04 -1.12 -4.99 113.70 111.48 1oay s SER 65 Ca 0.61 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 57.06 1oay s SER 65 Cb -0.30 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 1oay s SER 65 CO 0.26 -0.25 -0.04 -0.83 0.98 0.00 0.00 173.24 173.37 1oay s GLY 66 N -0.84 1.84 0.27 7.32 0.00 -1.26 -2.27 107.32 112.38 1oay s GLY 66 Ca -0.09 -1.06 -0.20 0.00 0.00 0.00 0.00 44.72 43.36 1oay s GLY 66 CO 0.01 -0.98 0.86 -1.35 0.00 0.00 0.00 173.10 171.64 1oay s SER 67 N -1.83 -0.10 -0.61 1.64 1.04 -1.23 -4.45 113.70 108.17 1oay s SER 67 Ca 0.21 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 55.87 1oay s SER 67 Cb -0.11 0.68 0.15 0.00 0.10 0.00 0.00 66.02 66.84 1oay s SER 67 CO 0.12 -1.31 0.39 -0.76 0.98 0.00 0.00 173.24 172.66 1oay s LEU 68 N -3.08 4.83 -0.66 2.42 1.43 -1.26 -2.23 118.68 120.14 1oay s LEU 68 Ca 0.15 -3.06 -0.22 0.00 -1.03 0.00 0.00 54.13 49.97 1oay s LEU 68 Cb -0.04 -1.75 0.08 0.00 0.03 0.00 0.00 46.19 44.50 1oay s LEU 68 CO 0.07 -0.28 0.94 -0.63 0.23 0.00 0.00 176.35 176.69 1oay s ILE 69 N -0.36 4.40 0.00 -0.59 1.01 -0.82 -4.89 121.20 119.95 1oay s ILE 69 Ca 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1oay s ILE 69 Cb -0.21 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.60 1oay s ILE 69 CO -0.03 -1.42 0.00 0.61 0.00 0.00 0.00 174.94 174.09 1oay n GLY 70 N 5.33 2.03 1.75 6.18 0.00 -1.26 -3.16 105.19 116.06 1oay n GLY 70 Ca -0.04 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.60 1oay n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oay n ASN 71 N 8.11 5.24 -4.01 1.61 3.02 -1.26 -4.82 115.26 123.15 1oay n ASN 71 Ca 0.00 -3.02 -0.08 0.00 -0.03 0.00 0.00 54.58 51.44 1oay n ASN 71 Cb 0.00 -0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.39 1oay n ASN 71 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1oay s LYS 72 N -2.84 0.54 0.88 3.52 1.02 -1.19 -2.93 119.74 118.74 1oay s LYS 72 Ca 0.53 -0.93 -0.14 0.00 0.02 0.00 0.00 55.97 55.45 1oay s LYS 72 Cb 0.41 0.20 0.13 0.00 -0.52 0.00 0.00 37.83 38.05 1oay s LYS 72 CO 0.14 -0.11 1.24 0.00 -0.92 0.00 0.00 175.35 175.70 1oay s ALA 73 N -2.95 2.45 0.08 5.17 0.00 -1.23 -1.95 121.76 123.34 1oay s ALA 73 Ca -0.02 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 50.84 1oay s ALA 73 Cb 0.01 -2.88 0.06 0.00 0.00 0.00 0.00 23.12 20.30 1oay s ALA 73 CO -0.06 -2.02 0.54 0.00 0.00 0.00 0.00 175.76 174.21 1oay s ALA 74 N -3.70 -1.37 -0.46 0.00 0.00 -0.95 -2.62 121.76 112.67 1oay s ALA 74 Ca 0.67 0.52 0.03 0.00 0.00 0.00 0.00 51.96 53.18 1oay s ALA 74 Cb -0.08 0.54 0.15 0.00 0.00 0.00 0.00 23.12 23.73 1oay s ALA 74 CO 0.51 -0.59 0.29 -1.17 0.00 0.00 0.00 175.76 174.80 1oay s LEU 75 N -2.26 2.45 -0.41 0.00 2.96 -1.17 -3.48 118.68 116.79 1oay s LEU 75 Ca -0.03 -2.82 -0.29 0.00 -0.22 0.00 0.00 54.13 50.77 1oay s LEU 75 Cb -0.00 -0.89 0.02 0.00 0.50 0.00 0.00 46.19 45.82 1oay s LEU 75 CO -0.06 -0.23 1.14 -0.89 -1.32 0.00 0.00 176.35 174.99 1oay s THR 76 N 0.15 4.30 -0.86 3.68 2.01 -0.96 -3.36 115.64 120.60 1oay s THR 76 Ca 0.22 1.41 -0.17 0.00 0.31 0.00 0.00 61.69 63.45 1oay s THR 76 Cb -0.15 -4.50 0.16 0.00 0.01 0.00 0.00 72.50 68.02 1oay s THR 76 CO -0.06 -0.78 0.97 -0.63 -0.69 0.00 0.00 174.62 173.43 1oay s ILE 77 N 4.20 5.01 -0.59 1.82 1.01 -0.88 -2.79 121.20 128.98 1oay s ILE 77 Ca 0.48 -1.78 -0.28 0.00 0.00 0.00 0.00 60.65 59.08 1oay s ILE 77 Cb -0.10 -4.65 0.01 0.00 0.01 0.00 0.00 42.46 37.74 1oay s ILE 77 CO 0.25 -1.31 1.41 -0.89 0.00 0.00 0.00 174.94 174.39 1oay s THR 78 N 1.91 3.77 0.00 2.92 2.01 -1.11 -3.29 115.64 121.85 1oay s THR 78 Ca 0.26 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.88 1oay s THR 78 Cb -0.09 -4.49 0.00 0.00 0.01 0.00 0.00 72.50 67.93 1oay s THR 78 CO -0.07 -1.26 0.00 0.61 -0.69 0.00 0.00 174.62 173.21 1oay n GLY 79 N 5.29 -1.25 3.76 4.40 0.00 -1.23 -4.77 105.19 111.38 1oay n GLY 79 Ca 0.11 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1oay n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oay s ALA 80 N -0.53 3.31 0.42 4.61 0.00 -1.14 -4.80 121.76 123.63 1oay s ALA 80 Ca 0.00 0.66 0.08 0.00 0.00 0.00 0.00 51.96 52.70 1oay s ALA 80 Cb 0.00 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.89 1oay s ALA 80 CO 0.00 0.10 0.49 -0.65 0.00 0.00 0.00 175.76 175.71 1oay s GLN 81 N -1.51 2.71 0.28 0.00 -1.52 -1.26 -2.58 119.66 115.78 1oay s GLN 81 Ca 0.45 -1.36 0.11 0.00 -1.95 0.00 0.00 55.36 52.60 1oay s GLN 81 Cb -0.25 -2.60 0.37 0.00 -0.22 0.00 0.00 33.01 30.31 1oay s GLN 81 CO 0.32 -0.24 1.62 1.79 -0.25 0.00 0.00 175.29 178.53 1oay h THR 82 N 0.80 1.43 0.00 -0.19 1.35 -1.97 -3.01 112.91 111.31 1oay h THR 82 Ca -0.41 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 1oay h THR 82 Cb 1.27 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1oay h THR 82 CO 0.50 0.59 0.00 1.05 -0.25 0.00 0.00 175.52 177.41 1oay h GLU 83 N 0.00 0.00 0.00 4.72 4.11 -1.98 -3.16 114.58 118.27 1oay h GLU 83 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1oay h GLU 83 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1oay h GLU 83 CO 0.08 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.91 1oay n ASP 84 N -2.67 0.47 -4.55 3.06 9.92 -1.14 -4.71 116.55 116.94 1oay n ASP 84 Ca 0.03 0.60 -0.29 0.00 -0.53 0.00 0.00 54.79 54.60 1oay n ASP 84 Cb 0.35 -0.71 -0.06 0.00 -0.64 0.00 0.00 41.12 40.06 1oay n ASP 84 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1oay n GLU 85 N -2.00 0.77 -3.71 -1.24 2.13 -1.20 -4.82 120.64 110.57 1oay n GLU 85 Ca 0.03 -0.25 -0.03 0.00 0.66 0.00 0.00 57.16 57.57 1oay n GLU 85 Cb 0.24 -3.24 -0.01 0.00 0.27 0.00 0.00 31.44 28.69 1oay n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1oay s ALA 86 N 12.20 -1.75 0.52 4.31 0.00 -1.16 -4.83 121.76 131.05 1oay s ALA 86 Ca 1.02 0.31 -0.18 0.00 0.00 0.00 0.00 51.96 53.11 1oay s ALA 86 Cb -0.29 0.57 -0.07 0.00 0.00 0.00 0.00 23.12 23.33 1oay s ALA 86 CO 0.24 -1.00 1.02 0.42 0.00 0.00 0.00 175.76 176.44 1oay s ILE 87 N -3.15 4.08 -0.32 0.00 1.01 -1.15 -2.27 121.20 119.39 1oay s ILE 87 Ca 0.12 1.11 -0.02 0.00 0.00 0.00 0.00 60.65 61.86 1oay s ILE 87 Cb -0.01 -3.52 0.11 0.00 0.01 0.00 0.00 42.46 39.05 1oay s ILE 87 CO 0.00 -0.46 0.15 -0.31 0.00 0.00 0.00 174.94 174.32 1oay s TYR 88 N -2.34 0.86 0.56 3.97 1.51 -0.92 -2.33 117.35 118.66 1oay s TYR 88 Ca 0.63 -1.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.20 1oay s TYR 88 Cb -0.13 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1oay s TYR 88 CO 0.28 -0.84 0.95 -0.06 -1.11 0.00 0.00 175.55 174.77 1oay s PHE 89 N 1.58 3.59 0.45 2.71 0.08 -1.03 -2.75 117.98 122.60 1oay s PHE 89 Ca 0.12 1.16 0.03 0.00 0.12 0.00 0.00 56.93 58.37 1oay s PHE 89 Cb -0.19 -2.60 -0.03 0.00 -0.57 0.00 0.00 43.02 39.63 1oay s PHE 89 CO -0.21 -0.52 0.06 0.00 -0.10 0.00 0.00 175.22 174.44 1oay s ALA 91 N -3.02 -2.46 0.13 0.00 0.00 -1.13 -2.63 121.76 112.64 1oay s ALA 91 Ca 0.18 1.33 -0.11 0.00 0.00 0.00 0.00 51.96 53.36 1oay s ALA 91 Cb 0.03 -2.44 -0.06 0.00 0.00 0.00 0.00 23.12 20.65 1oay s ALA 91 CO 0.10 -1.68 0.47 -0.51 0.00 0.00 0.00 175.76 174.15 1oay s LEU 92 N 2.85 4.32 -0.23 0.00 1.43 -1.13 -2.60 118.68 123.31 1oay s LEU 92 Ca 0.14 0.90 -0.08 0.00 -1.03 0.00 0.00 54.13 54.07 1oay s LEU 92 Cb -0.11 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 1oay s LEU 92 CO -0.24 0.11 0.08 0.86 0.23 0.00 0.00 176.35 177.39 1oay s TRP 93 N -1.50 3.15 -2.14 0.29 -0.11 -0.43 -2.26 118.94 115.95 1oay s TRP 93 Ca 0.37 -0.20 0.17 0.00 1.22 0.00 0.00 56.10 57.67 1oay s TRP 93 Cb -0.14 -2.20 0.51 0.00 -1.50 0.00 0.00 33.47 30.14 1oay s TRP 93 CO 0.19 -0.17 1.41 0.66 -4.62 0.00 0.00 176.95 174.42 1oay n TYR 94 N 4.48 0.47 0.00 5.86 4.02 -0.49 -4.28 117.16 127.22 1oay n TYR 94 Ca -0.16 -0.23 0.00 0.00 -0.01 0.00 0.00 57.90 57.50 1oay n TYR 94 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1oay n TYR 94 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1oay n SER 95 N 0.74 0.00 0.00 7.72 7.64 -1.26 -4.77 113.62 123.69 1oay n SER 95 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1oay n SER 95 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1oay n SER 95 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1oay n ASN 96 N 0.00 0.21 -3.40 6.43 0.23 -1.26 -5.12 115.26 112.35 1oay n ASN 96 Ca 0.00 -0.01 -0.07 0.00 -0.53 0.00 0.00 54.58 53.97 1oay n ASN 96 Cb 0.00 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 1oay n ASN 96 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1oay s HIS 97 N -0.10 -0.02 0.08 -2.53 -3.43 -1.26 -5.17 115.29 102.85 1oay s HIS 97 Ca 0.00 -0.50 0.04 0.00 -0.80 0.00 0.00 55.06 53.80 1oay s HIS 97 Cb 0.00 0.75 -0.04 0.00 -1.43 0.00 0.00 32.58 31.86 1oay s HIS 97 CO 0.00 -1.28 0.03 -1.17 -2.00 0.00 0.00 174.74 170.32 1oay s LEU 98 N -3.05 3.61 -0.11 5.38 2.96 -1.26 -1.40 118.68 124.81 1oay s LEU 98 Ca 0.14 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1oay s LEU 98 Cb -0.05 -2.30 0.05 0.00 0.50 0.00 0.00 46.19 44.39 1oay s LEU 98 CO 0.08 0.18 0.07 -0.69 -1.32 0.00 0.00 176.35 174.68 1oay s VAL 99 N -1.32 -0.07 0.65 1.68 1.01 -0.96 -4.99 120.40 116.40 1oay s VAL 99 Ca 0.27 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 1oay s VAL 99 Cb -0.12 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1oay s VAL 99 CO 0.19 -0.06 1.05 -0.36 0.00 0.00 0.00 175.10 175.92 1oay s PHE 100 N 2.14 3.49 0.06 5.22 0.40 -1.26 -2.83 117.98 125.20 1oay s PHE 100 Ca 0.03 1.27 0.01 0.00 -0.60 0.00 0.00 56.93 57.65 1oay s PHE 100 Cb -0.14 -2.80 0.01 0.00 0.51 0.00 0.00 43.02 40.60 1oay s PHE 100 CO -0.06 -0.87 0.08 0.41 0.70 0.00 0.00 175.22 175.48 1oay n GLY 101 N -2.66 2.11 0.22 4.36 0.00 -1.08 -4.60 105.19 103.54 1oay n GLY 101 Ca 0.06 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.76 1oay n GLY 101 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1oay h GLY 102 N 0.02 0.87 0.00 -0.02 0.00 -1.93 -3.46 103.07 98.55 1oay h GLY 102 Ca -0.03 -1.25 0.00 0.00 0.00 0.00 0.00 47.33 46.05 1oay h GLY 102 CO 0.05 1.12 0.00 0.61 0.00 0.00 0.00 176.54 178.31 1oay n GLY 103 N 0.75 2.90 2.78 4.60 0.00 -1.26 -5.00 105.19 109.96 1oay n GLY 103 Ca -0.08 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 1oay n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oay s THR 104 N -2.30 0.96 -0.72 2.61 2.01 -1.11 -4.54 115.64 112.55 1oay s THR 104 Ca 0.00 -1.21 -0.26 0.00 0.31 0.00 0.00 61.69 60.53 1oay s THR 104 Cb 0.00 -1.58 0.00 0.00 0.01 0.00 0.00 72.50 70.94 1oay s THR 104 CO 0.00 -0.47 1.59 -0.75 -0.69 0.00 0.00 174.62 174.30 1oay s LYS 105 N 1.61 2.94 0.13 4.92 2.20 -1.18 -2.17 119.74 128.19 1oay s LYS 105 Ca 0.05 0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.40 1oay s LYS 105 Cb -0.18 -4.42 -0.06 0.00 -1.51 0.00 0.00 37.83 31.66 1oay s LYS 105 CO -0.17 -2.49 1.02 -1.17 -0.36 0.00 0.00 175.35 172.18 1oay s LEU 106 N 7.40 4.49 -0.22 5.43 2.96 -0.96 -3.08 118.68 134.70 1oay s LEU 106 Ca 0.52 1.91 -0.01 0.00 -0.22 0.00 0.00 54.13 56.33 1oay s LEU 106 Cb -0.09 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.06 1oay s LEU 106 CO 0.14 -0.14 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.12 1oay s THR 107 N -0.04 1.16 -0.22 3.68 2.01 -1.04 -3.00 115.64 118.19 1oay s THR 107 Ca 0.48 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 61.35 1oay s THR 107 Cb -0.26 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 1oay s THR 107 CO 0.32 -0.13 0.44 -0.69 -0.69 0.00 0.00 174.62 173.87 1oay s VAL 108 N 1.57 5.15 -2.00 3.82 1.01 -1.26 -3.25 120.40 125.44 1oay s VAL 108 Ca -0.04 0.77 0.27 0.00 0.00 0.00 0.00 61.98 62.98 1oay s VAL 108 Cb -0.18 -3.77 0.77 0.00 0.00 0.00 0.00 36.38 33.20 1oay s VAL 108 CO -0.07 0.19 1.96 0.18 0.00 0.00 0.00 175.10 177.36