#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwy s VAL 2 N 0.00 4.87 0.42 2.03 1.01 -1.26 -5.06 120.40 122.42 2jwy s VAL 2 Ca 0.00 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.63 2jwy s VAL 2 Cb 0.00 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2jwy s VAL 2 CO 0.00 -0.77 0.33 -1.10 0.00 0.00 0.00 175.10 173.56 2jwy s GLN 3 N 2.64 2.44 0.18 2.72 -1.52 -1.26 -5.16 119.66 119.70 2jwy s GLN 3 Ca 0.16 -1.64 -0.16 0.00 -1.95 0.00 0.00 55.36 51.77 2jwy s GLN 3 Cb -0.19 -2.26 0.02 0.00 -0.22 0.00 0.00 33.01 30.36 2jwy s GLN 3 CO 0.13 -0.20 0.46 1.14 -0.25 0.00 0.00 175.29 176.57 2jwy s GLN 4 N -4.08 1.29 -0.02 2.91 1.03 -1.26 -5.17 119.66 114.35 2jwy s GLN 4 Ca 0.46 -0.89 -0.00 0.00 0.04 0.00 0.00 55.36 54.96 2jwy s GLN 4 Cb -0.01 0.49 0.02 0.00 0.03 0.00 0.00 33.01 33.53 2jwy s GLN 4 CO 0.26 -0.53 0.03 0.45 -2.54 0.00 0.00 175.29 172.97 2jwy s SER 5 N -2.88 0.03 0.09 12.60 0.15 -1.26 -5.16 113.70 117.26 2jwy s SER 5 Ca 0.09 0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.81 2jwy s SER 5 Cb 0.00 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 2jwy s SER 5 CO -0.04 -0.08 -0.06 -1.61 1.20 0.00 0.00 173.24 172.65 2jwy s GLU 6 N 0.69 0.78 -0.20 5.44 2.02 -1.26 -5.15 118.70 121.01 2jwy s GLU 6 Ca -0.06 -1.29 -0.06 0.00 0.02 0.00 0.00 54.97 53.59 2jwy s GLU 6 Cb -0.08 -0.13 -0.03 0.00 0.10 0.00 0.00 34.13 33.99 2jwy s GLU 6 CO -0.02 -0.03 0.03 0.54 0.02 0.00 0.00 175.26 175.79 2jwy s VAL 7 N -3.58 4.22 0.26 2.63 0.11 -1.26 -5.10 120.40 117.68 2jwy s VAL 7 Ca 0.10 -0.22 -0.26 0.00 -2.93 0.00 0.00 61.98 58.66 2jwy s VAL 7 Cb 0.05 -2.91 -0.09 0.00 -1.53 0.00 0.00 36.38 31.90 2jwy s VAL 7 CO -0.06 0.42 0.89 -0.60 -3.33 0.00 0.00 175.10 172.43 2jwy s ARG 8 N 0.92 4.63 0.59 1.54 3.52 -1.26 -5.03 118.95 123.86 2jwy s ARG 8 Ca 0.02 1.30 -0.19 0.00 -0.13 0.00 0.00 55.73 56.73 2jwy s ARG 8 Cb -0.14 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 2jwy s ARG 8 CO 0.02 0.42 1.10 0.00 -0.81 0.00 0.00 175.30 176.03 2jwy n GLN 9 N 1.04 1.10 -0.80 5.12 10.64 -1.26 -4.97 117.38 128.24 2jwy n GLN 9 Ca -0.01 0.42 -0.29 0.00 -1.83 0.00 0.00 57.00 55.29 2jwy n GLN 9 Cb 0.49 -2.30 0.23 0.00 -0.86 0.00 0.00 30.24 27.80 2jwy n GLN 9 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 2jwy s MET 10 N -2.86 -0.74 -0.79 2.61 -1.94 -1.26 -4.89 119.30 109.43 2jwy s MET 10 Ca 0.76 0.54 -0.25 0.00 -1.71 0.00 0.00 55.69 55.03 2jwy s MET 10 Cb -0.42 -1.60 -0.01 0.00 2.01 0.00 0.00 34.83 34.81 2jwy s MET 10 CO 0.47 -3.53 1.72 0.21 -0.01 0.00 0.00 175.02 173.88 2jwy s LYS 11 N -4.78 2.85 0.31 2.03 2.20 -1.26 -4.98 119.74 116.11 2jwy s LYS 11 Ca 0.68 -0.08 -0.29 0.00 -0.36 0.00 0.00 55.97 55.92 2jwy s LYS 11 Cb -0.20 -4.71 -0.10 0.00 -1.51 0.00 0.00 37.83 31.31 2jwy s LYS 11 CO 0.61 -2.75 1.30 -1.58 -0.36 0.00 0.00 175.35 172.56 2jwy s HIS 12 N 8.19 3.12 0.52 4.03 5.65 -1.26 -4.36 115.29 131.17 2jwy s HIS 12 Ca 0.59 1.39 -0.20 0.00 0.25 0.00 0.00 55.06 57.09 2jwy s HIS 12 Cb -0.08 -3.64 -0.06 0.00 -1.18 0.00 0.00 32.58 27.61 2jwy s HIS 12 CO 0.08 -1.79 1.13 -1.54 -0.65 0.00 0.00 174.74 171.97 2jwy s SER 13 N -0.38 5.88 0.38 9.88 1.04 -1.26 -5.06 113.70 124.19 2jwy s SER 13 Ca 0.50 2.18 0.03 0.00 0.48 0.00 0.00 55.95 59.14 2jwy s SER 13 Cb -0.39 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.14 2jwy s SER 13 CO 0.50 -1.11 0.11 1.33 0.98 0.00 0.00 173.24 175.04 2jwy n VAL 14 N -1.08 0.00 -4.38 5.02 0.24 -1.26 -5.18 118.33 111.69 2jwy n VAL 14 Ca 0.10 -2.10 -0.21 0.00 -2.04 0.00 0.00 64.34 60.09 2jwy n VAL 14 Cb 0.50 0.69 -0.09 0.00 -1.47 0.00 0.00 33.84 33.48 2jwy n VAL 14 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2jwy s SER 15 N -3.26 1.95 -0.07 -1.34 0.15 -1.26 -5.19 113.70 104.68 2jwy s SER 15 Ca 0.15 -1.63 -0.31 0.00 0.70 0.00 0.00 55.95 54.86 2jwy s SER 15 Cb 0.01 0.45 0.08 0.00 -1.71 0.00 0.00 66.02 64.85 2jwy s SER 15 CO 0.11 -0.93 0.72 0.28 1.20 0.00 0.00 173.24 174.61 2jwy s THR 16 N -3.45 0.00 -0.21 6.45 -1.32 -1.26 -5.14 115.64 110.70 2jwy s THR 16 Ca 0.33 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.82 2jwy s THR 16 Cb 0.04 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.06 2jwy s THR 16 CO 0.19 0.00 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.68 2jwy s LEU 17 N -1.10 2.69 0.95 9.08 1.43 -1.26 -5.13 118.68 125.34 2jwy s LEU 17 Ca -0.09 -0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 51.94 2jwy s LEU 17 Cb -0.00 -1.53 0.20 0.00 0.03 0.00 0.00 46.19 44.90 2jwy s LEU 17 CO 0.08 -0.08 1.31 0.20 0.23 0.00 0.00 176.35 178.10 2jwy s ASN 18 N 1.23 3.11 0.78 2.29 0.01 -1.26 -5.09 114.94 116.01 2jwy s ASN 18 Ca -0.00 0.17 -0.02 0.00 -0.71 0.00 0.00 52.86 52.29 2jwy s ASN 18 Cb -0.16 -0.20 0.04 0.00 0.41 0.00 0.00 41.25 41.35 2jwy s ASN 18 CO -0.09 -2.73 0.25 0.00 -1.51 0.00 0.00 177.10 173.02 2jwy n GLN 19 N -3.72 0.02 -1.32 -0.60 1.13 -1.26 -5.07 117.38 106.56 2jwy n GLN 19 Ca 0.16 -0.49 -0.31 0.00 -1.94 0.00 0.00 57.00 54.41 2jwy n GLN 19 Cb 0.59 -0.23 0.08 0.00 0.11 0.00 0.00 30.24 30.80 2jwy n GLN 19 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2jwy s GLU 20 N -3.35 2.37 0.87 -1.09 2.12 -1.26 -5.00 118.70 113.36 2jwy s GLU 20 Ca 0.15 1.15 -0.13 0.00 0.36 0.00 0.00 54.97 56.51 2jwy s GLU 20 Cb -0.01 -1.91 0.07 0.00 0.26 0.00 0.00 34.13 32.54 2jwy s GLU 20 CO 0.10 -1.56 0.82 -1.33 -0.54 0.00 0.00 175.26 172.76 2jwy n MET 21 N -3.42 -0.13 -3.09 4.30 2.81 -1.26 -5.05 117.12 111.28 2jwy n MET 21 Ca 0.09 0.02 -0.10 0.00 -1.81 0.00 0.00 57.70 55.91 2jwy n MET 21 Cb 0.53 -2.14 -0.03 0.00 -0.71 0.00 0.00 33.22 30.87 2jwy n MET 21 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2jwy n THR 22 N -3.52 0.00 -1.27 2.03 5.66 -1.26 -5.17 114.28 110.75 2jwy n THR 22 Ca 0.10 -1.19 -0.29 0.00 -3.05 0.00 0.00 64.05 59.62 2jwy n THR 22 Cb 0.52 0.64 0.15 0.00 -1.55 0.00 0.00 70.33 70.08 2jwy n THR 22 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2jwy s GLN 23 N -2.62 0.99 0.21 1.09 -1.52 -1.26 -5.01 119.66 111.54 2jwy s GLN 23 Ca 0.19 0.61 -0.28 0.00 -1.95 0.00 0.00 55.36 53.93 2jwy s GLN 23 Cb 0.00 -1.79 -0.09 0.00 -0.22 0.00 0.00 33.01 30.91 2jwy s GLN 23 CO 0.14 -2.37 0.89 -1.17 -0.25 0.00 0.00 175.29 172.52 2jwy s LEU 24 N -6.25 4.63 0.09 2.90 2.96 -1.26 -5.07 118.68 116.67 2jwy s LEU 24 Ca 0.64 1.84 0.05 0.00 -0.22 0.00 0.00 54.13 56.44 2jwy s LEU 24 Cb -0.17 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2jwy s LEU 24 CO 0.56 0.17 -0.01 0.20 -1.32 0.00 0.00 176.35 175.95 2jwy s ASN 25 N -1.12 4.96 0.39 3.68 0.01 -1.26 -5.01 114.94 116.59 2jwy s ASN 25 Ca 0.39 -0.19 0.07 0.00 -0.71 0.00 0.00 52.86 52.42 2jwy s ASN 25 Cb -0.25 -1.17 0.81 0.00 0.41 0.00 0.00 41.25 41.06 2jwy s ASN 25 CO 0.30 0.18 2.02 1.56 -1.51 0.00 0.00 177.10 179.65 2jwy h GLN 26 N 3.50 0.62 -0.55 -0.60 1.08 -1.97 -0.84 115.11 116.34 2jwy h GLN 26 Ca -0.48 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 56.66 2jwy h GLN 26 Cb 1.17 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.43 2jwy h GLN 26 CO 0.59 0.41 0.23 1.49 -0.95 0.00 0.00 178.83 180.60 2jwy h GLU 27 N 0.64 0.82 -0.62 1.46 4.81 -1.96 -1.78 114.58 117.95 2jwy h GLU 27 Ca 0.21 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2jwy h GLU 27 Cb 0.06 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2jwy h GLU 27 CO -0.05 0.70 0.41 1.15 -0.73 0.00 0.00 179.01 180.49 2jwy h THR 28 N 0.75 1.00 -0.37 0.32 2.02 -1.46 0.94 112.91 116.12 2jwy h THR 28 Ca 0.19 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 2jwy h THR 28 Cb 0.18 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2jwy h THR 28 CO -0.02 0.11 0.07 0.58 0.37 0.00 0.00 175.52 176.64 2jwy h VAL 29 N 0.62 1.23 -0.93 3.16 2.07 -0.82 -1.45 116.25 120.13 2jwy h VAL 29 Ca 0.27 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2jwy h VAL 29 Cb 0.27 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 2jwy h VAL 29 CO -0.08 0.27 0.55 0.11 0.02 0.00 0.00 177.57 178.44 2jwy h LYS 30 N 0.44 1.27 -0.22 1.57 1.79 -0.35 -0.77 116.57 120.30 2jwy h LYS 30 Ca 0.11 -0.12 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2jwy h LYS 30 Cb 0.33 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2jwy h LYS 30 CO 0.00 0.90 0.11 0.82 -1.08 0.00 0.00 179.45 180.20 2jwy h ILE 31 N 1.29 0.99 -0.18 1.86 2.04 -0.71 0.28 117.51 123.08 2jwy h ILE 31 Ca 0.33 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 66.14 2jwy h ILE 31 Cb -0.03 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2jwy h ILE 31 CO -0.06 0.04 -0.00 0.74 0.00 0.00 0.00 178.15 178.87 2jwy h THR 32 N 0.24 0.87 -0.64 -0.27 2.02 -0.84 -1.64 112.91 112.65 2jwy h THR 32 Ca 0.09 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.27 2jwy h THR 32 Cb 0.02 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2jwy h THR 32 CO -0.06 0.01 0.42 -0.61 0.37 0.00 0.00 175.52 175.64 2jwy h GLN 33 N 0.06 0.81 -0.02 6.66 4.15 -0.97 -2.82 115.11 122.99 2jwy h GLN 33 Ca 0.09 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.48 2jwy h GLN 33 Cb 0.11 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 2jwy h GLN 33 CO -0.15 0.54 -0.14 0.37 -1.93 0.00 0.00 178.83 177.52 2jwy h GLN 34 N 0.84 -0.21 -0.55 1.69 4.15 0.06 -0.42 115.11 120.66 2jwy h GLN 34 Ca 0.24 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.70 2jwy h GLN 34 Cb -0.05 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 2jwy h GLN 34 CO -0.07 -0.14 0.34 -0.91 -1.93 0.00 0.00 178.83 176.12 2jwy h ASN 35 N -0.22 0.56 -0.05 -0.69 2.35 -1.26 0.21 115.58 116.48 2jwy h ASN 35 Ca 0.05 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2jwy h ASN 35 Cb 0.29 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 2jwy h ASN 35 CO -0.15 0.40 0.02 0.03 -1.65 0.00 0.00 177.43 176.08 2jwy h ARG 36 N 0.68 0.08 -0.84 0.81 3.08 -1.23 -0.78 114.38 116.18 2jwy h ARG 36 Ca 0.22 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 2jwy h ARG 36 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2jwy h ARG 36 CO -0.09 0.25 0.53 -0.07 -1.07 0.00 0.00 179.97 179.52 2jwy h LEU 37 N -0.11 1.00 -0.43 3.04 3.38 -0.95 -1.40 115.31 119.84 2jwy h LEU 37 Ca 0.02 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jwy h LEU 37 Cb 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2jwy h LEU 37 CO -0.00 0.75 0.24 -1.13 0.09 0.00 0.00 178.44 178.39 2jwy h ASN 38 N 1.15 0.37 0.75 -0.43 -0.73 -0.39 -0.53 115.58 115.77 2jwy h ASN 38 Ca 0.30 0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.43 2jwy h ASN 38 Cb -0.08 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 2jwy h ASN 38 CO -0.06 0.26 -0.29 0.00 -0.37 0.00 0.00 177.43 176.97 2jwy h ALA 39 N 1.21 1.08 0.00 1.57 0.00 -0.88 -2.65 119.26 119.59 2jwy h ALA 39 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jwy h ALA 39 Cb 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jwy h ALA 39 CO -0.10 0.37 -0.25 1.63 0.00 0.00 0.00 179.25 180.89 2jwy n LYS 40 N -3.55 0.27 -1.97 0.00 5.02 -0.55 -4.91 118.16 112.47 2jwy n LYS 40 Ca -0.01 0.16 -0.41 0.00 -2.02 0.00 0.00 58.31 56.04 2jwy n LYS 40 Cb 0.44 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 2jwy n LYS 40 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jwy s SER 41 N -4.40 6.59 0.00 4.39 0.15 -0.27 -4.92 113.70 115.24 2jwy s SER 41 Ca 0.09 2.78 0.13 0.00 0.70 0.00 0.00 55.95 59.64 2jwy s SER 41 Cb 0.13 -2.64 0.34 0.00 -1.71 0.00 0.00 66.02 62.14 2jwy s SER 41 CO 0.65 -0.72 1.26 -1.20 1.20 0.00 0.00 173.24 174.43 2jwy n SER 42 N 1.65 3.00 -3.53 5.45 7.64 -1.26 -4.93 113.62 121.64 2jwy n SER 42 Ca 0.04 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.98 2jwy n SER 42 Cb 0.40 -0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 2jwy n SER 42 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jwy s SER 43 N -1.01 -1.16 0.81 6.43 0.15 -1.26 -5.15 113.70 112.51 2jwy s SER 43 Ca 0.26 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.30 2jwy s SER 43 Cb 0.14 2.24 0.00 0.00 -1.71 0.00 0.00 66.02 66.69 2jwy s SER 43 CO 0.19 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2jwy n GLY 44 N 5.42 -1.16 3.43 9.45 0.00 -1.26 -4.87 105.19 116.20 2jwy n GLY 44 Ca -0.10 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 2jwy n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jwy s VAL 45 N -0.09 2.77 -0.28 1.61 -7.23 -0.53 -4.88 120.40 111.76 2jwy s VAL 45 Ca 0.00 -0.87 -0.20 0.00 -1.81 0.00 0.00 61.98 59.10 2jwy s VAL 45 Cb 0.00 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 2jwy s VAL 45 CO 0.00 0.56 0.64 -0.31 -0.31 0.00 0.00 175.10 175.68 2jwy s TYR 46 N -0.72 3.25 -0.19 2.82 2.02 -1.26 -1.73 117.35 121.54 2jwy s TYR 46 Ca 0.11 0.72 -0.02 0.00 -0.37 0.00 0.00 57.07 57.51 2jwy s TYR 46 Cb -0.10 -2.93 -0.01 0.00 -0.40 0.00 0.00 41.96 38.52 2jwy s TYR 46 CO 0.01 -0.40 -0.08 -0.51 -1.57 0.00 0.00 175.55 172.99 2jwy s LEU 47 N 2.58 2.81 -0.26 -1.29 1.43 0.50 -4.62 118.68 119.83 2jwy s LEU 47 Ca 0.26 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.89 2jwy s LEU 47 Cb -0.15 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2jwy s LEU 47 CO 0.10 0.05 0.15 -0.76 0.23 0.00 0.00 176.35 176.11 2jwy s LEU 48 N 1.08 3.89 0.19 1.79 1.43 -1.26 0.16 118.68 125.96 2jwy s LEU 48 Ca 0.01 -0.02 -0.33 0.00 -1.03 0.00 0.00 54.13 52.75 2jwy s LEU 48 Cb -0.15 -2.06 -0.13 0.00 0.03 0.00 0.00 46.19 43.88 2jwy s LEU 48 CO -0.01 -0.01 1.60 -0.81 0.23 0.00 0.00 176.35 177.35 2jwy n PRO 49 N 4.76 2.33 -0.24 1.29 -0.04 -1.26 -2.16 135.00 139.68 2jwy n PRO 49 Ca -0.15 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 2jwy n PRO 49 Cb 0.52 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 2jwy n PRO 49 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jwy n GLY 50 N 3.37 0.85 2.63 0.55 0.00 -1.26 -5.03 105.19 106.30 2jwy n GLY 50 Ca 0.16 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 2jwy n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwy s ALA 51 N -2.00 0.20 -1.20 4.61 0.00 -0.92 -4.25 121.76 118.19 2jwy s ALA 51 Ca 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.00 2jwy s ALA 51 Cb 0.00 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 2jwy s ALA 51 CO 0.00 -1.66 1.93 1.63 0.00 0.00 0.00 175.76 177.65 2jwy n LYS 52 N 5.27 2.38 -3.74 0.00 5.02 -1.26 -4.60 118.16 121.23 2jwy n LYS 52 Ca -0.05 -2.65 -0.12 0.00 -2.02 0.00 0.00 58.31 53.47 2jwy n LYS 52 Cb 0.44 -3.41 -0.11 0.00 -0.02 0.00 0.00 35.03 31.93 2jwy n LYS 52 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jwy s THR 53 N 6.02 -0.01 0.35 -0.18 -4.23 -1.26 -5.04 115.64 111.30 2jwy s THR 53 Ca 0.57 0.03 -0.25 0.00 -1.18 0.00 0.00 61.69 60.86 2jwy s THR 53 Cb 0.07 -0.49 -0.10 0.00 1.34 0.00 0.00 72.50 73.32 2jwy s THR 53 CO 0.07 0.01 0.98 -2.16 -0.54 0.00 0.00 174.62 172.98 2jwy s PRO 54 N 0.50 4.43 -0.06 3.99 0.04 -1.26 -4.44 135.00 138.19 2jwy s PRO 54 Ca -0.03 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.42 2jwy s PRO 54 Cb -0.04 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 2jwy s PRO 54 CO -0.03 0.13 -0.11 0.00 0.04 0.00 0.00 177.00 177.03 2jwy s ALA 55 N -1.66 2.80 -0.71 8.56 0.00 0.07 -4.87 121.76 125.95 2jwy s ALA 55 Ca 0.53 -0.93 -0.26 0.00 0.00 0.00 0.00 51.96 51.30 2jwy s ALA 55 Cb -0.19 -1.10 0.04 0.00 0.00 0.00 0.00 23.12 21.86 2jwy s ALA 55 CO 0.25 0.54 1.20 0.50 0.00 0.00 0.00 175.76 178.24 2jwy s ARG 56 N -0.67 3.19 -0.39 0.00 3.52 -1.26 -2.06 118.95 121.28 2jwy s ARG 56 Ca 0.10 -0.36 -0.17 0.00 -0.13 0.00 0.00 55.73 55.18 2jwy s ARG 56 Cb -0.11 -4.18 0.01 0.00 -1.56 0.00 0.00 34.95 29.11 2jwy s ARG 56 CO 0.01 -2.04 0.42 -1.17 -0.81 0.00 0.00 175.30 171.71 2jwy s LEU 57 N 5.29 4.69 -0.89 -0.88 2.96 0.74 -4.97 118.68 125.62 2jwy s LEU 57 Ca 0.32 -0.48 -0.21 0.00 -0.22 0.00 0.00 54.13 53.54 2jwy s LEU 57 Cb -0.10 -2.38 0.10 0.00 0.50 0.00 0.00 46.19 44.31 2jwy s LEU 57 CO 0.14 -0.49 1.17 -0.70 -1.32 0.00 0.00 176.35 175.15 2jwy s GLU 58 N 2.11 3.48 0.35 1.98 2.12 -1.26 -1.84 118.70 125.64 2jwy s GLU 58 Ca 0.12 -1.38 0.06 0.00 0.36 0.00 0.00 54.97 54.13 2jwy s GLU 58 Cb -0.17 -4.84 0.06 0.00 0.26 0.00 0.00 34.13 29.44 2jwy s GLU 58 CO 0.13 -1.89 0.48 -1.13 -0.54 0.00 0.00 175.26 172.31 2jwy n SER 59 N 7.38 1.32 0.03 -1.70 3.41 0.30 -4.98 113.62 119.38 2jwy n SER 59 Ca 0.19 -1.95 -0.06 0.00 -0.26 0.00 0.00 58.87 56.80 2jwy n SER 59 Cb 0.49 -0.25 0.14 0.00 -0.26 0.00 0.00 64.21 64.32 2jwy n SER 59 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2jwy h GLN 60 N 0.00 0.44 0.00 4.33 4.20 -1.95 -3.05 115.11 119.08 2jwy h GLN 60 Ca -0.17 -0.23 -0.16 0.00 0.06 0.00 0.00 58.65 58.15 2jwy h GLN 60 Cb 0.76 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 2jwy h GLN 60 CO 0.24 0.80 -0.77 -0.84 -0.67 0.00 0.00 178.83 177.59 2jwy h ILE 61 N 0.36 1.46 0.00 2.54 3.07 -1.93 -3.48 117.51 119.53 2jwy h ILE 61 Ca 0.03 -2.71 0.00 0.00 1.55 0.00 0.00 64.86 63.73 2jwy h ILE 61 Cb 0.92 2.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.97 2jwy h ILE 61 CO 0.08 0.75 0.00 0.61 -1.05 0.00 0.00 178.15 178.54 2jwy n GLY 62 N 0.89 -0.35 3.54 0.16 0.00 -1.15 -4.94 105.19 103.34 2jwy n GLY 62 Ca -0.00 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 2jwy n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 63 N -2.96 4.99 0.09 2.61 2.01 -1.26 -0.54 115.64 120.58 2jwy s THR 63 Ca 0.00 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.07 2jwy s THR 63 Cb 0.00 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 2jwy s THR 63 CO 0.00 0.25 -0.12 -1.48 -0.69 0.00 0.00 174.62 172.58 2jwy s LEU 64 N 1.71 2.34 -0.25 4.42 0.05 -0.77 -1.18 118.68 125.01 2jwy s LEU 64 Ca 0.07 -0.72 -0.01 0.00 0.05 0.00 0.00 54.13 53.53 2jwy s LEU 64 Cb -0.16 -0.42 0.03 0.00 -2.05 0.00 0.00 46.19 43.59 2jwy s LEU 64 CO 0.09 -0.16 -0.08 -0.13 -0.55 0.00 0.00 176.35 175.51 2jwy s ARG 65 N -2.26 2.72 -0.06 1.48 0.52 0.35 -0.19 118.95 121.51 2jwy s ARG 65 Ca 0.02 -1.04 -0.07 0.00 -0.52 0.00 0.00 55.73 54.12 2jwy s ARG 65 Cb -0.07 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 2jwy s ARG 65 CO 0.02 -0.42 0.19 -1.64 0.02 0.00 0.00 175.30 173.47 2jwy s MET 66 N 1.28 3.50 0.03 3.54 -1.94 -0.87 -0.82 119.30 124.02 2jwy s MET 66 Ca -0.01 -0.12 0.02 0.00 -1.71 0.00 0.00 55.69 53.87 2jwy s MET 66 Cb -0.17 -3.15 -0.02 0.00 2.01 0.00 0.00 34.83 33.50 2jwy s MET 66 CO -0.05 0.73 -0.07 -1.54 -0.01 0.00 0.00 175.02 174.07 2jwy s SER 67 N -1.36 0.79 -0.38 3.03 1.04 -0.33 -0.75 113.70 115.74 2jwy s SER 67 Ca 0.21 -0.47 -0.14 0.00 0.48 0.00 0.00 55.95 56.02 2jwy s SER 67 Cb -0.13 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.02 2jwy s SER 67 CO 0.10 -0.16 0.28 -0.76 0.98 0.00 0.00 173.24 173.68 2jwy s LEU 68 N -1.33 4.86 0.18 2.42 1.43 -1.26 -1.73 118.68 123.26 2jwy s LEU 68 Ca -0.08 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.34 2jwy s LEU 68 Cb -0.09 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 2jwy s LEU 68 CO 0.00 -0.36 -0.00 0.68 0.23 0.00 0.00 176.35 176.90 2jwy s VAL 69 N 1.71 0.75 -1.57 -1.59 -7.23 -1.02 -4.47 120.40 106.98 2jwy s VAL 69 Ca 0.06 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2jwy s VAL 69 Cb -0.18 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2jwy s VAL 69 CO 0.10 -0.45 0.00 0.59 -0.31 0.00 0.00 175.10 175.04 2jwy n ASN 70 N -0.27 -5.25 -4.60 4.85 3.02 -1.26 0.36 115.26 112.10 2jwy n ASN 70 Ca -0.06 0.01 -0.43 0.00 -0.03 0.00 0.00 54.58 54.07 2jwy n ASN 70 Cb 0.63 -4.32 -0.03 0.00 -0.61 0.00 0.00 39.78 35.45 2jwy n ASN 70 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jwy s ILE 71 N -2.89 3.50 0.04 2.41 1.01 -1.26 -4.34 121.20 119.67 2jwy s ILE 71 Ca 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 60.65 61.12 2jwy s ILE 71 Cb 0.00 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 2jwy s ILE 71 CO 0.00 -0.39 0.07 0.42 0.00 0.00 0.00 174.94 175.04 2jwy s THR 72 N 6.62 0.15 0.87 2.92 -4.23 -0.28 -5.02 115.64 116.67 2jwy s THR 72 Ca 0.79 -1.20 -0.12 0.00 -1.18 0.00 0.00 61.69 59.98 2jwy s THR 72 Cb -0.23 -0.96 0.09 0.00 1.34 0.00 0.00 72.50 72.74 2jwy s THR 72 CO 0.33 -0.66 0.97 -2.65 -0.54 0.00 0.00 174.62 172.07 2jwy n PRO 73 N 0.70 -0.12 -3.93 3.99 -0.02 -1.26 -0.74 135.00 133.62 2jwy n PRO 73 Ca -0.18 0.03 -0.09 0.00 -2.02 0.00 0.00 63.50 61.23 2jwy n PRO 73 Cb 0.59 -2.25 -0.07 0.00 -0.02 0.00 0.00 33.50 31.75 2jwy n PRO 73 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jwy s ASP 74 N -2.22 0.05 0.14 2.55 2.15 0.59 -4.46 116.67 115.48 2jwy s ASP 74 Ca 0.67 -0.81 -0.19 0.00 0.43 0.00 0.00 52.55 52.66 2jwy s ASP 74 Cb -0.26 0.41 0.01 0.00 -0.30 0.00 0.00 42.92 42.79 2jwy s ASP 74 CO 0.57 -0.85 1.70 0.00 -0.17 0.00 0.00 175.17 176.42 2jwy h ALA 75 N 2.59 0.19 -0.18 3.66 0.00 -1.97 -2.78 119.26 120.77 2jwy h ALA 75 Ca -0.32 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2jwy h ALA 75 Cb 1.22 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2jwy h ALA 75 CO 0.50 -0.46 -0.38 -0.44 0.00 0.00 0.00 179.25 178.47 2jwy h ASP 76 N 0.02 0.65 0.00 0.00 5.19 -1.98 -3.48 116.42 116.82 2jwy h ASP 76 Ca 0.13 -0.56 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2jwy h ASP 76 Cb 0.19 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2jwy h ASP 76 CO -0.26 1.09 0.00 0.61 -3.12 0.00 0.00 179.24 177.56 2jwy n GLY 77 N 0.44 -2.35 3.23 2.75 0.00 -1.05 -0.87 105.19 107.33 2jwy n GLY 77 Ca -0.06 0.77 -0.13 0.00 0.00 0.00 0.00 46.02 46.60 2jwy n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 78 N -0.28 -0.00 0.02 2.61 2.01 -0.57 -0.30 115.64 119.13 2jwy s THR 78 Ca 0.00 0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.10 2jwy s THR 78 Cb 0.00 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 2jwy s THR 78 CO 0.00 0.01 -0.24 0.42 -0.69 0.00 0.00 174.62 174.12 2jwy s THR 79 N 0.36 1.89 0.02 -0.82 -4.23 0.08 -0.35 115.64 112.59 2jwy s THR 79 Ca -0.01 -1.16 -0.13 0.00 -1.18 0.00 0.00 61.69 59.20 2jwy s THR 79 Cb -0.03 -1.60 0.02 0.00 1.34 0.00 0.00 72.50 72.23 2jwy s THR 79 CO -0.01 0.40 0.29 -1.48 -0.54 0.00 0.00 174.62 173.27 2jwy s LEU 80 N -0.91 0.95 -0.61 4.79 0.05 -0.87 -1.12 118.68 120.96 2jwy s LEU 80 Ca 0.09 -0.10 -0.25 0.00 0.05 0.00 0.00 54.13 53.92 2jwy s LEU 80 Cb -0.09 1.25 0.04 0.00 -2.05 0.00 0.00 46.19 45.34 2jwy s LEU 80 CO 0.01 -0.53 1.06 -0.89 -0.55 0.00 0.00 176.35 175.44 2jwy s THR 81 N -2.03 4.18 -0.64 5.48 2.01 0.16 -0.41 115.64 124.39 2jwy s THR 81 Ca -0.09 0.29 -0.26 0.00 0.31 0.00 0.00 61.69 61.94 2jwy s THR 81 Cb -0.03 -4.67 0.04 0.00 0.01 0.00 0.00 72.50 67.85 2jwy s THR 81 CO -0.00 -1.36 1.13 -0.22 -0.69 0.00 0.00 174.62 173.48 2jwy s LEU 82 N 4.49 3.64 -0.00 4.42 1.98 0.91 -2.44 118.68 131.68 2jwy s LEU 82 Ca 0.32 -0.35 -0.20 0.00 -2.89 0.00 0.00 54.13 51.00 2jwy s LEU 82 Cb -0.12 -2.77 -0.05 0.00 0.66 0.00 0.00 46.19 43.91 2jwy s LEU 82 CO 0.18 -1.54 0.60 -0.13 -1.89 0.00 0.00 176.35 173.56 2jwy s ARG 83 N 4.86 4.31 -0.38 1.98 0.52 -0.70 -0.61 118.95 128.92 2jwy s ARG 83 Ca 0.34 0.74 0.01 0.00 -0.52 0.00 0.00 55.73 56.30 2jwy s ARG 83 Cb -0.10 -3.34 0.11 0.00 0.52 0.00 0.00 34.95 32.14 2jwy s ARG 83 CO 0.18 0.37 0.14 0.42 0.02 0.00 0.00 175.30 176.43 2jwy s ILE 84 N -0.21 2.79 -0.44 1.52 1.09 0.70 -1.18 121.20 125.46 2jwy s ILE 84 Ca 0.31 -2.26 -0.19 0.00 -1.10 0.00 0.00 60.65 57.41 2jwy s ILE 84 Cb -0.18 -2.97 0.03 0.00 -1.06 0.00 0.00 42.46 38.27 2jwy s ILE 84 CO 0.17 -0.66 0.56 -1.10 -0.10 0.00 0.00 174.94 173.82 2jwy s GLN 85 N 0.95 3.19 0.17 2.79 1.11 -0.00 -1.36 119.66 126.51 2jwy s GLN 85 Ca 0.10 -0.57 -0.32 0.00 0.01 0.00 0.00 55.36 54.59 2jwy s GLN 85 Cb -0.21 -3.97 -0.10 0.00 -1.01 0.00 0.00 33.01 27.72 2jwy s GLN 85 CO -0.06 -0.97 1.57 0.20 0.01 0.00 0.00 175.29 176.03 2jwy s GLY 86 N 2.00 1.58 0.19 3.09 0.00 0.28 -0.49 107.32 113.96 2jwy s GLY 86 Ca 0.18 1.37 0.23 0.00 0.00 0.00 0.00 44.72 46.50 2jwy s GLY 86 CO 0.16 2.62 1.71 -2.21 0.00 0.00 0.00 173.10 175.39 2jwy n GLU 87 N 3.93 0.17 -4.26 2.90 2.13 -0.32 -4.65 120.64 120.54 2jwy n GLU 87 Ca 0.14 0.32 -0.33 0.00 0.66 0.00 0.00 57.16 57.95 2jwy n GLU 87 Cb 0.38 -1.78 -0.09 0.00 0.27 0.00 0.00 31.44 30.23 2jwy n GLU 87 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2jwy s SER 88 N -4.06 5.19 0.34 4.31 1.04 -1.26 -5.02 113.70 114.23 2jwy s SER 88 Ca 0.07 0.01 0.24 0.00 0.48 0.00 0.00 55.95 56.75 2jwy s SER 88 Cb 0.11 -1.38 0.53 0.00 0.10 0.00 0.00 66.02 65.38 2jwy s SER 88 CO 0.44 0.28 1.67 0.78 0.98 0.00 0.00 173.24 177.38 2jwy h ASN 89 N 4.31 0.00 -4.02 7.02 2.35 -1.99 -3.39 115.58 119.85 2jwy h ASN 89 Ca -0.49 -0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 54.75 2jwy h ASN 89 Cb 1.18 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.61 2jwy h ASN 89 CO 0.58 0.00 0.47 1.51 -1.65 0.00 0.00 177.43 178.34 2jwy s ASP 90 N -5.47 6.07 -0.12 5.81 -4.77 -1.26 -4.11 116.67 112.81 2jwy s ASP 90 Ca 0.08 2.26 -0.29 0.00 -3.30 0.00 0.00 52.55 51.30 2jwy s ASP 90 Cb 0.08 -2.60 -0.05 0.00 -1.09 0.00 0.00 42.92 39.27 2jwy s ASP 90 CO 0.64 -0.98 1.71 -2.16 0.70 0.00 0.00 175.17 175.08 2jwy s PRO 91 N -2.86 3.94 0.50 2.11 0.04 -1.26 -4.49 135.00 132.99 2jwy s PRO 91 Ca 0.66 2.01 -0.13 0.00 0.04 0.00 0.00 61.00 63.57 2jwy s PRO 91 Cb -0.27 -4.05 -0.07 0.00 0.04 0.00 0.00 34.50 30.15 2jwy s PRO 91 CO 0.32 -1.13 0.93 -0.51 0.04 0.00 0.00 177.00 176.65 2jwy s LEU 92 N 4.87 3.61 0.00 -3.56 1.43 -1.24 -4.96 118.68 118.83 2jwy s LEU 92 Ca 0.76 1.39 -0.14 0.00 -1.03 0.00 0.00 54.13 55.11 2jwy s LEU 92 Cb -0.31 -4.34 0.20 0.00 0.03 0.00 0.00 46.19 41.77 2jwy s LEU 92 CO 0.31 -0.59 0.93 -0.81 0.23 0.00 0.00 176.35 176.42 2jwy n PRO 93 N -1.76 -1.76 -1.90 1.29 -0.04 -1.26 -2.50 135.00 127.08 2jwy n PRO 93 Ca 0.05 -1.46 -0.31 0.00 -0.04 0.00 0.00 63.50 61.74 2jwy n PRO 93 Cb 0.54 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.88 2jwy n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwy s ALA 94 N -3.53 2.94 -0.04 0.55 0.00 -1.25 -4.13 121.76 116.30 2jwy s ALA 94 Ca 0.56 0.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.38 2jwy s ALA 94 Cb -0.03 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 20.00 2jwy s ALA 94 CO 0.41 -0.77 0.43 -0.59 0.00 0.00 0.00 175.76 175.24 2jwy s PHE 95 N -2.97 -0.35 0.16 0.00 -0.71 -1.23 -1.21 117.98 111.68 2jwy s PHE 95 Ca 0.57 0.60 0.03 0.00 -1.04 0.00 0.00 56.93 57.09 2jwy s PHE 95 Cb -0.12 0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 2jwy s PHE 95 CO 0.48 -0.44 -0.04 -1.54 -1.34 0.00 0.00 175.22 172.35 2jwy s SER 96 N -1.16 1.44 0.00 1.98 1.04 -0.62 -1.64 113.70 114.74 2jwy s SER 96 Ca -0.12 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2jwy s SER 96 Cb -0.04 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2jwy s SER 96 CO 0.06 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2jwy n GLY 97 N -0.22 1.34 3.01 7.32 0.00 0.09 -0.29 105.19 116.43 2jwy n GLY 97 Ca -0.08 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 2jwy n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 98 N -2.04 0.45 -0.11 2.61 2.01 0.01 -1.10 115.64 117.48 2jwy s THR 98 Ca 0.00 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2jwy s THR 98 Cb 0.00 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 72.05 2jwy s THR 98 CO 0.00 -0.18 -0.21 0.54 -0.69 0.00 0.00 174.62 174.08 2jwy s VAL 99 N -0.84 1.88 -0.44 3.82 0.11 0.47 -1.32 120.40 124.09 2jwy s VAL 99 Ca -0.05 -0.90 -0.22 0.00 -2.93 0.00 0.00 61.98 57.87 2jwy s VAL 99 Cb -0.07 -1.65 0.02 0.00 -1.53 0.00 0.00 36.38 33.16 2jwy s VAL 99 CO 0.00 0.52 0.73 -1.61 -3.33 0.00 0.00 175.10 171.41 2jwy s GLU 100 N 0.56 3.39 -0.13 1.54 0.41 0.73 -1.44 118.70 123.76 2jwy s GLU 100 Ca -0.14 -0.16 0.02 0.00 -0.41 0.00 0.00 54.97 54.27 2jwy s GLU 100 Cb -0.17 -3.93 0.01 0.00 -1.78 0.00 0.00 34.13 28.26 2jwy s GLU 100 CO 0.05 -1.05 -0.19 1.52 -0.49 0.00 0.00 175.26 175.09 2jwy s TYR 101 N 3.11 2.44 0.00 1.61 1.13 -0.36 -0.21 117.35 125.07 2jwy s TYR 101 Ca 0.27 -1.24 0.00 0.00 -1.41 0.00 0.00 57.07 54.70 2jwy s TYR 101 Cb -0.13 -1.69 0.00 0.00 -1.10 0.00 0.00 41.96 39.04 2jwy s TYR 101 CO 0.21 -0.59 0.00 0.41 -2.51 0.00 0.00 175.55 173.07 2jwy n GLY 102 N 4.19 2.49 3.39 5.49 0.00 -1.10 -0.96 105.19 118.70 2jwy n GLY 102 Ca -0.20 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 2jwy n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jwy s GLN 103 N 4.73 1.46 -0.17 1.61 -0.21 0.25 -0.25 119.66 127.09 2jwy s GLN 103 Ca 0.00 -1.72 -0.01 0.00 0.02 0.00 0.00 55.36 53.65 2jwy s GLN 103 Cb 0.00 -1.06 0.04 0.00 1.00 0.00 0.00 33.01 32.99 2jwy s GLN 103 CO 0.00 0.05 -0.04 0.42 -2.12 0.00 0.00 175.29 173.60 2jwy s ILE 104 N -3.06 1.03 -1.09 1.08 1.01 -1.26 -1.21 121.20 117.70 2jwy s ILE 104 Ca 0.28 -0.61 0.24 0.00 0.00 0.00 0.00 60.65 60.56 2jwy s ILE 104 Cb 0.03 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 2jwy s ILE 104 CO 0.10 0.10 1.31 0.00 0.00 0.00 0.00 174.94 176.44 2jwy n GLN 105 N 4.90 0.10 -2.54 2.79 10.64 -1.24 -4.97 117.38 127.05 2jwy n GLN 105 Ca -0.11 -0.07 -0.24 0.00 -1.83 0.00 0.00 57.00 54.75 2jwy n GLN 105 Cb 0.48 -1.50 0.12 0.00 -0.86 0.00 0.00 30.24 28.48 2jwy n GLN 105 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2jwy s GLY 106 N -2.95 1.76 0.00 2.61 0.00 -1.26 -4.93 107.32 102.55 2jwy s GLY 106 Ca 0.12 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.09 2jwy s GLY 106 CO 0.72 -1.13 0.00 -1.30 0.00 0.00 0.00 173.10 171.38 2jwy n THR 107 N -2.94 0.00 0.10 0.90 -2.24 0.88 -4.77 114.28 106.20 2jwy n THR 107 Ca 0.16 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.89 2jwy n THR 107 Cb 0.61 -1.71 0.08 0.00 -2.10 0.00 0.00 70.33 67.20 2jwy n THR 107 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jwy h ILE 108 N -0.40 1.48 0.04 2.28 1.08 -1.99 -3.32 117.51 116.69 2jwy h ILE 108 Ca 0.00 -2.40 -0.37 0.00 -0.39 0.00 0.00 64.86 61.71 2jwy h ILE 108 Cb 0.00 2.29 -0.05 0.00 -3.07 0.00 0.00 36.82 36.00 2jwy h ILE 108 CO 0.00 0.69 -2.10 -0.67 -0.69 0.00 0.00 178.15 175.38 2jwy n ASP 109 N -3.72 2.00 -4.07 1.72 2.03 -1.26 -4.74 116.55 108.52 2jwy n ASP 109 Ca -0.02 0.18 -0.34 0.00 0.52 0.00 0.00 54.79 55.13 2jwy n ASP 109 Cb 0.71 -0.75 -0.12 0.00 -0.72 0.00 0.00 41.12 40.24 2jwy n ASP 109 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jwy s ASN 110 N -6.95 5.01 0.04 1.67 4.22 -1.26 -5.09 114.94 112.59 2jwy s ASN 110 Ca -0.30 -2.39 0.09 0.00 -2.14 0.00 0.00 52.86 48.11 2jwy s ASN 110 Cb 0.09 -1.76 -0.03 0.00 1.28 0.00 0.00 41.25 40.83 2jwy s ASN 110 CO 0.63 -0.42 -0.25 0.72 -2.04 0.00 0.00 177.10 175.74 2jwy s PHE 111 N 0.61 2.17 -0.12 1.54 -0.71 -1.25 -0.09 117.98 120.13 2jwy s PHE 111 Ca 0.12 -0.40 0.03 0.00 -1.04 0.00 0.00 56.93 55.64 2jwy s PHE 111 Cb -0.22 -1.30 0.01 0.00 -1.21 0.00 0.00 43.02 40.29 2jwy s PHE 111 CO -0.04 0.10 -0.23 -0.65 -1.34 0.00 0.00 175.22 173.06 2jwy s GLN 112 N -1.16 3.02 -0.69 1.99 -0.21 -1.26 -4.91 119.66 116.44 2jwy s GLN 112 Ca 0.10 -0.86 -0.26 0.00 0.02 0.00 0.00 55.36 54.36 2jwy s GLN 112 Cb -0.10 -2.37 -0.00 0.00 1.00 0.00 0.00 33.01 31.54 2jwy s GLN 112 CO 0.02 0.06 1.64 -1.21 -2.12 0.00 0.00 175.29 173.68 2jwy s GLU 113 N 0.63 2.86 0.09 2.91 8.01 -1.26 -3.69 118.70 128.25 2jwy s GLU 113 Ca -0.12 0.19 0.04 0.00 0.01 0.00 0.00 54.97 55.10 2jwy s GLU 113 Cb -0.16 -4.38 -0.04 0.00 -4.31 0.00 0.00 34.13 25.24 2jwy s GLU 113 CO 0.02 -2.53 0.03 0.96 0.01 0.00 0.00 175.26 173.75 2jwy s ILE 114 N 7.77 4.22 -1.53 -1.63 -4.36 -0.35 -4.59 121.20 120.73 2jwy s ILE 114 Ca 0.55 -0.93 0.00 0.00 -0.26 0.00 0.00 60.65 60.01 2jwy s ILE 114 Cb -0.10 -3.03 0.00 0.00 1.25 0.00 0.00 42.46 40.58 2jwy s ILE 114 CO 0.16 0.10 0.00 0.59 0.24 0.00 0.00 174.94 176.04 2jwy n ASN 115 N 0.46 -5.08 -4.74 4.36 3.02 -1.26 -0.59 115.26 111.43 2jwy n ASN 115 Ca -0.10 0.10 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 2jwy n ASN 115 Cb 0.52 -4.28 -0.06 0.00 -0.61 0.00 0.00 39.78 35.35 2jwy n ASN 115 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jwy s VAL 116 N -2.84 5.08 0.19 2.41 0.11 -1.26 -4.32 120.40 119.76 2jwy s VAL 116 Ca 0.00 1.08 0.10 0.00 -2.93 0.00 0.00 61.98 60.23 2jwy s VAL 116 Cb 0.00 -3.86 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 2jwy s VAL 116 CO 0.00 0.37 -0.15 -1.10 -3.33 0.00 0.00 175.10 170.89 2jwy s GLN 117 N 0.25 1.85 -0.14 1.54 1.11 -0.13 -4.91 119.66 119.23 2jwy s GLN 117 Ca 0.28 -1.37 -0.04 0.00 0.01 0.00 0.00 55.36 54.24 2jwy s GLN 117 Cb -0.16 -2.04 -0.03 0.00 -1.01 0.00 0.00 33.01 29.77 2jwy s GLN 117 CO 0.13 0.42 -0.01 0.54 0.01 0.00 0.00 175.29 176.38 2jwy s ASN 118 N -2.78 5.06 0.01 5.90 2.20 -1.26 -1.22 114.94 122.85 2jwy s ASN 118 Ca 0.23 -0.02 0.07 0.00 -0.94 0.00 0.00 52.86 52.21 2jwy s ASN 118 Cb -0.08 -1.72 -0.02 0.00 -2.00 0.00 0.00 41.25 37.43 2jwy s ASN 118 CO 0.13 0.23 -0.23 -1.58 -2.94 0.00 0.00 177.10 172.71 2jwy s GLN 119 N 0.02 1.71 -0.62 3.55 0.74 -0.52 -4.93 119.66 119.61 2jwy s GLN 119 Ca 0.02 -0.90 -0.24 0.00 0.05 0.00 0.00 55.36 54.29 2jwy s GLN 119 Cb -0.13 -1.74 0.05 0.00 1.10 0.00 0.00 33.01 32.29 2jwy s GLN 119 CO 0.02 0.46 1.01 -0.51 -0.55 0.00 0.00 175.29 175.73 2jwy s LEU 120 N -0.84 4.05 0.05 3.68 1.43 -1.26 -0.39 118.68 125.40 2jwy s LEU 120 Ca 0.09 -0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 52.42 2jwy s LEU 120 Cb -0.09 -2.65 -0.06 0.00 0.03 0.00 0.00 46.19 43.42 2jwy s LEU 120 CO 0.00 -1.41 0.52 0.27 0.23 0.00 0.00 176.35 175.96 2jwy s ILE 121 N 4.29 4.83 0.06 -0.59 -4.36 -0.26 -4.94 121.20 120.24 2jwy s ILE 121 Ca 0.28 1.08 0.05 0.00 -0.26 0.00 0.00 60.65 61.81 2jwy s ILE 121 Cb -0.13 -3.83 -0.03 0.00 1.25 0.00 0.00 42.46 39.72 2jwy s ILE 121 CO 0.15 0.55 -0.14 0.20 0.24 0.00 0.00 174.94 175.94 2jwy s ASN 122 N -1.13 1.69 0.02 4.36 0.02 -1.26 -0.73 114.94 117.91 2jwy s ASN 122 Ca 0.28 -0.56 0.01 0.00 -1.02 0.00 0.00 52.86 51.57 2jwy s ASN 122 Cb -0.18 -0.07 -0.01 0.00 0.02 0.00 0.00 41.25 41.00 2jwy s ASN 122 CO 0.17 -0.03 -0.05 0.00 0.02 0.00 0.00 177.10 177.21 2jwy s ALA 123 N -1.12 0.40 1.05 0.60 0.00 -0.65 -5.02 121.76 117.03 2jwy s ALA 123 Ca -0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 2jwy s ALA 123 Cb -0.09 -0.01 0.22 0.00 0.00 0.00 0.00 23.12 23.23 2jwy s ALA 123 CO 0.02 0.02 1.07 -2.14 0.00 0.00 0.00 175.76 174.73 2jwy s PRO 124 N -0.79 0.02 -0.01 0.00 0.02 -1.26 -3.53 135.00 129.44 2jwy s PRO 124 Ca -0.05 0.84 -0.30 0.00 0.02 0.00 0.00 61.00 61.51 2jwy s PRO 124 Cb -0.06 -1.66 -0.03 0.00 0.02 0.00 0.00 34.50 32.77 2jwy s PRO 124 CO -0.00 -3.09 1.06 0.00 -0.33 0.00 0.00 177.00 174.63 2jwy s ALA 125 N -2.69 3.28 -1.36 -1.55 0.00 -1.26 -4.53 121.76 113.65 2jwy s ALA 125 Ca 0.67 0.60 -0.16 0.00 0.00 0.00 0.00 51.96 53.06 2jwy s ALA 125 Cb -0.22 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.56 2jwy s ALA 125 CO 0.61 -0.38 1.95 0.43 0.00 0.00 0.00 175.76 178.36 2jwy n SER 126 N 4.19 4.43 0.14 0.00 7.64 -1.04 -4.71 113.62 124.26 2jwy n SER 126 Ca 0.08 -2.88 -0.01 0.00 1.01 0.00 0.00 58.87 57.07 2jwy n SER 126 Cb 0.49 -1.70 0.23 0.00 -1.01 0.00 0.00 64.21 62.21 2jwy n SER 126 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2jwy h VAL 127 N 4.92 1.36 -2.66 0.44 2.07 -1.93 -3.28 116.25 117.17 2jwy h VAL 127 Ca 0.50 -1.75 -0.47 0.00 0.82 0.00 0.00 66.70 65.79 2jwy h VAL 127 Cb 0.77 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2jwy h VAL 127 CO 1.64 0.51 -0.26 -0.76 0.02 0.00 0.00 177.57 178.72 2jwy s LEU 128 N -7.93 4.10 0.08 2.57 1.43 -1.26 -4.91 118.68 112.76 2jwy s LEU 128 Ca -0.03 0.36 0.09 0.00 -1.03 0.00 0.00 54.13 53.52 2jwy s LEU 128 Cb 0.13 -3.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 2jwy s LEU 128 CO 0.76 -0.22 -0.24 0.00 0.23 0.00 0.00 176.35 176.87 2jwy s ALA 129 N -2.20 2.11 0.82 4.21 0.00 -1.26 -4.32 121.76 121.13 2jwy s ALA 129 Ca 0.38 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 2jwy s ALA 129 Cb -0.10 -0.38 0.10 0.00 0.00 0.00 0.00 23.12 22.74 2jwy s ALA 129 CO 0.34 0.48 1.18 -2.14 0.00 0.00 0.00 175.76 175.62 2jwy s PRO 130 N -1.56 1.73 -0.96 0.00 0.02 -1.26 -4.27 135.00 128.70 2jwy s PRO 130 Ca 0.11 -0.06 -0.24 0.00 0.02 0.00 0.00 61.00 60.83 2jwy s PRO 130 Cb -0.10 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.47 2jwy s PRO 130 CO 0.03 -1.71 1.60 0.45 -0.33 0.00 0.00 177.00 177.05 2jwy s SER 131 N -4.63 6.05 -0.64 2.53 0.15 -1.26 -4.89 113.70 111.01 2jwy s SER 131 Ca 0.64 -1.13 0.03 0.00 0.70 0.00 0.00 55.95 56.20 2jwy s SER 131 Cb -0.09 -2.57 0.16 0.00 -1.71 0.00 0.00 66.02 61.81 2jwy s SER 131 CO 0.49 -1.91 0.42 -0.62 1.20 0.00 0.00 173.24 172.82 2jwy s ASP 132 N 5.90 4.75 0.19 5.45 2.15 -1.26 -0.56 116.67 133.29 2jwy s ASP 132 Ca 0.53 -3.45 0.04 0.00 0.43 0.00 0.00 52.55 50.11 2jwy s ASP 132 Cb -0.03 -1.68 -0.03 0.00 -0.30 0.00 0.00 42.92 40.88 2jwy s ASP 132 CO -0.05 -0.17 0.25 -0.69 -0.17 0.00 0.00 175.17 174.34 2jwy s VAL 133 N -0.90 4.96 -0.24 1.11 1.01 -0.46 -4.97 120.40 120.91 2jwy s VAL 133 Ca 0.21 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2jwy s VAL 133 Cb -0.14 -3.60 0.13 0.00 0.00 0.00 0.00 36.38 32.77 2jwy s VAL 133 CO -0.09 -0.19 0.35 1.51 0.00 0.00 0.00 175.10 176.69 2jwy s ASP 134 N -3.45 0.51 -0.09 3.32 -4.77 -1.26 -0.22 116.67 110.71 2jwy s ASP 134 Ca 0.33 0.06 0.01 0.00 -3.30 0.00 0.00 52.55 49.65 2jwy s ASP 134 Cb -0.10 0.96 -0.02 0.00 -1.09 0.00 0.00 42.92 42.67 2jwy s ASP 134 CO 0.27 -0.31 -0.12 0.27 0.70 0.00 0.00 175.17 175.97 2jwy s ILE 135 N 2.50 3.19 -0.16 2.11 -4.36 0.22 -4.91 121.20 119.79 2jwy s ILE 135 Ca 0.11 -0.64 -0.29 0.00 -0.26 0.00 0.00 60.65 59.57 2jwy s ILE 135 Cb -0.15 -2.30 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 2jwy s ILE 135 CO -0.17 0.56 1.33 -2.16 0.24 0.00 0.00 174.94 174.74 2jwy s PRO 136 N -0.23 4.19 -0.25 0.37 0.04 -1.26 -0.06 135.00 137.80 2jwy s PRO 136 Ca 0.01 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 62.65 2jwy s PRO 136 Cb -0.13 -3.81 -0.05 0.00 0.04 0.00 0.00 34.50 30.55 2jwy s PRO 136 CO 0.03 -0.78 0.22 -1.17 0.04 0.00 0.00 177.00 175.35 2jwy s LEU 137 N 3.69 4.09 -0.42 -3.56 0.20 0.45 -4.92 118.68 118.20 2jwy s LEU 137 Ca 0.58 0.16 -0.10 0.00 0.69 0.00 0.00 54.13 55.46 2jwy s LEU 137 Cb -0.23 -2.20 0.07 0.00 -0.43 0.00 0.00 46.19 43.40 2jwy s LEU 137 CO 0.18 -0.01 0.28 -1.58 -0.29 0.00 0.00 176.35 174.93 2jwy s GLN 138 N 1.37 2.67 -0.12 1.98 0.74 -1.26 -2.04 119.66 123.00 2jwy s GLN 138 Ca 0.10 -1.42 -0.18 0.00 0.05 0.00 0.00 55.36 53.90 2jwy s GLN 138 Cb -0.15 -3.83 -0.04 0.00 1.10 0.00 0.00 33.01 30.09 2jwy s GLN 138 CO 0.07 -0.95 0.49 -0.51 -0.55 0.00 0.00 175.29 173.84 2jwy s LEU 139 N 1.46 4.28 0.00 3.68 1.43 0.52 -4.99 118.68 125.06 2jwy s LEU 139 Ca 0.03 0.83 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 2jwy s LEU 139 Cb -0.23 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 2jwy s LEU 139 CO 0.03 -0.00 0.03 -0.54 0.23 0.00 0.00 176.35 176.10 2jwy s LYS 140 N 0.62 2.88 -1.16 1.70 1.02 -1.26 -1.51 119.74 122.03 2jwy s LYS 140 Ca 0.26 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.68 2jwy s LYS 140 Cb -0.15 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 2jwy s LYS 140 CO 0.11 0.63 0.00 0.41 -0.92 0.00 0.00 175.35 175.58 2jwy n GLY 141 N 1.29 0.26 3.44 -3.33 0.00 -0.05 -4.87 105.19 101.93 2jwy n GLY 141 Ca -0.14 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 2jwy n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jwy s ILE 142 N -2.59 -0.60 0.29 -0.61 2.07 -1.26 -5.03 121.20 113.47 2jwy s ILE 142 Ca 0.00 0.08 -0.17 0.00 -1.41 0.00 0.00 60.65 59.15 2jwy s ILE 142 Cb 0.00 -0.81 -0.09 0.00 0.13 0.00 0.00 42.46 41.69 2jwy s ILE 142 CO 0.00 0.03 0.74 -0.44 -1.91 0.00 0.00 174.94 173.37 2jwy s SER 143 N 2.43 6.89 0.41 4.50 0.01 -1.26 -2.75 113.70 123.93 2jwy s SER 143 Ca -0.05 1.35 0.14 0.00 1.31 0.00 0.00 55.95 58.70 2jwy s SER 143 Cb -0.11 -2.40 0.99 0.00 0.21 0.00 0.00 66.02 64.71 2jwy s SER 143 CO -0.16 -0.13 1.92 1.62 0.41 0.00 0.00 173.24 176.91 2jwy h VAL 144 N 2.24 0.83 -0.09 3.43 3.04 -1.91 0.15 116.25 123.94 2jwy h VAL 144 Ca -0.48 -0.17 0.03 0.00 -1.01 0.00 0.00 66.70 65.07 2jwy h VAL 144 Cb 1.18 0.30 -0.00 0.00 -2.01 0.00 0.00 31.29 30.76 2jwy h VAL 144 CO 0.65 0.09 0.07 -0.78 -1.01 0.00 0.00 177.57 176.59 2jwy h ASP 145 N 0.49 0.00 -0.39 3.17 1.82 -1.97 -2.32 116.42 117.21 2jwy h ASP 145 Ca 0.37 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.01 2jwy h ASP 145 Cb 0.74 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.75 2jwy h ASP 145 CO -0.13 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.50 2jwy n GLN 146 N -4.37 2.89 -2.33 0.28 1.13 0.46 -4.98 117.38 110.46 2jwy n GLN 146 Ca -0.01 -2.19 -0.43 0.00 -1.94 0.00 0.00 57.00 52.43 2jwy n GLN 146 Cb 0.18 -1.36 -0.02 0.00 0.11 0.00 0.00 30.24 29.15 2jwy n GLN 146 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2jwy s LEU 147 N -1.14 3.87 -0.14 1.08 1.43 -0.74 -4.74 118.68 118.30 2jwy s LEU 147 Ca 0.28 1.31 -0.09 0.00 -1.03 0.00 0.00 54.13 54.60 2jwy s LEU 147 Cb 0.16 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2jwy s LEU 147 CO 0.17 -1.15 -0.12 1.23 0.23 0.00 0.00 176.35 176.72 2jwy h GLY 148 N 11.18 0.00 -3.46 -3.19 0.00 -0.96 -3.45 103.07 103.20 2jwy h GLY 148 Ca -0.28 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 2jwy h GLY 148 CO 1.03 0.00 -0.25 -0.11 0.00 0.00 0.00 176.54 177.21 2jwy s PHE 149 N -2.15 -0.04 -0.25 5.60 -0.71 -0.86 -4.48 117.98 115.08 2jwy s PHE 149 Ca -0.14 -0.22 0.01 0.00 -1.04 0.00 0.00 56.93 55.54 2jwy s PHE 149 Cb 0.02 0.08 0.07 0.00 -1.21 0.00 0.00 43.02 41.98 2jwy s PHE 149 CO 0.22 -0.56 -0.02 0.08 -1.34 0.00 0.00 175.22 173.60 2jwy s VAL 150 N -3.23 1.48 -0.36 -2.49 1.01 0.12 -2.71 120.40 114.23 2jwy s VAL 150 Ca -0.00 -1.33 -0.06 0.00 0.00 0.00 0.00 61.98 60.58 2jwy s VAL 150 Cb 0.01 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.61 2jwy s VAL 150 CO -0.08 -0.23 0.13 -0.60 0.00 0.00 0.00 175.10 174.33 2jwy s ARG 151 N 1.39 2.56 -0.03 2.72 3.52 0.71 -0.37 118.95 129.45 2jwy s ARG 151 Ca -0.02 -1.28 -0.23 0.00 -0.13 0.00 0.00 55.73 54.06 2jwy s ARG 151 Cb -0.19 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 2jwy s ARG 151 CO -0.09 -0.74 0.70 0.42 -0.81 0.00 0.00 175.30 174.78 2jwy s ILE 152 N 1.38 4.94 0.35 4.11 -1.09 -0.70 -0.19 121.20 129.99 2jwy s ILE 152 Ca -0.00 1.46 -0.17 0.00 -2.23 0.00 0.00 60.65 59.71 2jwy s ILE 152 Cb -0.20 -4.04 0.06 0.00 -1.58 0.00 0.00 42.46 36.70 2jwy s ILE 152 CO 0.02 0.31 0.84 -1.38 -1.23 0.00 0.00 174.94 173.50 2jwy s HIS 153 N 0.40 0.11 -1.62 3.97 -3.43 -0.43 -1.45 115.29 112.83 2jwy s HIS 153 Ca 0.37 -0.73 0.00 0.00 -0.80 0.00 0.00 55.06 53.89 2jwy s HIS 153 Cb -0.19 0.81 0.00 0.00 -1.43 0.00 0.00 32.58 31.78 2jwy s HIS 153 CO 0.19 -1.45 0.00 -0.25 -2.00 0.00 0.00 174.74 171.23 2jwy n ASP 154 N -1.38 -4.84 -4.65 7.38 8.00 -1.26 -0.81 116.55 119.00 2jwy n ASP 154 Ca -0.07 0.38 -0.42 0.00 0.71 0.00 0.00 54.79 55.38 2jwy n ASP 154 Cb 0.60 -3.69 -0.03 0.00 -0.02 0.00 0.00 41.12 37.98 2jwy n ASP 154 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jwy s ILE 155 N -2.57 3.44 0.10 0.53 -1.09 -1.25 -4.16 121.20 116.20 2jwy s ILE 155 Ca 0.00 0.51 0.05 0.00 -2.23 0.00 0.00 60.65 58.99 2jwy s ILE 155 Cb 0.00 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 2jwy s ILE 155 CO 0.00 -0.10 -0.13 0.00 -1.23 0.00 0.00 174.94 173.47 2jwy s GLN 156 N 4.52 0.93 -0.21 2.79 -2.07 0.60 -3.80 119.66 122.42 2jwy s GLN 156 Ca 0.79 -1.14 -0.29 0.00 -1.82 0.00 0.00 55.36 52.90 2jwy s GLN 156 Cb -0.33 -0.82 -0.01 0.00 -1.09 0.00 0.00 33.01 30.75 2jwy s GLN 156 CO 0.32 0.16 1.38 -1.25 -1.32 0.00 0.00 175.29 174.58 2jwy s PRO 157 N -2.40 4.03 -0.21 9.60 0.04 -1.26 -1.59 135.00 143.21 2jwy s PRO 157 Ca 0.05 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.61 2jwy s PRO 157 Cb -0.06 -3.88 -0.02 0.00 0.04 0.00 0.00 34.50 30.59 2jwy s PRO 157 CO 0.02 -0.97 -0.03 0.54 0.04 0.00 0.00 177.00 176.60 2jwy s VAL 158 N 4.17 3.61 0.34 -0.36 0.11 -0.35 -4.95 120.40 122.97 2jwy s VAL 158 Ca 0.60 -0.42 -0.17 0.00 -2.93 0.00 0.00 61.98 59.05 2jwy s VAL 158 Cb -0.22 -2.63 0.06 0.00 -1.53 0.00 0.00 36.38 32.06 2jwy s VAL 158 CO 0.22 0.42 0.83 0.00 -3.33 0.00 0.00 175.10 173.24 2jwy s MET 159 N 1.26 2.03 0.22 1.54 0.23 -1.26 -3.86 119.30 119.46 2jwy s MET 159 Ca 0.03 -1.28 -0.32 0.00 -1.03 0.00 0.00 55.69 53.09 2jwy s MET 159 Cb -0.14 0.58 -0.12 0.00 -1.53 0.00 0.00 34.83 33.62 2jwy s MET 159 CO -0.00 -0.95 1.69 1.14 -2.03 0.00 0.00 175.02 174.87 2jwy s GLN 160 N -2.47 4.13 -1.01 3.16 -2.07 -1.26 -4.87 119.66 115.26 2jwy s GLN 160 Ca 0.16 2.59 -0.23 0.00 -1.82 0.00 0.00 55.36 56.05 2jwy s GLN 160 Cb -0.05 -3.07 -0.03 0.00 -1.09 0.00 0.00 33.01 28.78 2jwy s GLN 160 CO 0.10 -0.72 1.83 -0.51 -1.32 0.00 0.00 175.29 174.66 2jwy s LEU 161 N 0.84 3.26 -0.07 2.60 1.02 -1.26 -4.95 118.68 120.12 2jwy s LEU 161 Ca 0.72 -1.16 -0.29 0.00 0.02 0.00 0.00 54.13 53.42 2jwy s LEU 161 Cb -0.49 -2.57 -0.02 0.00 0.02 0.00 0.00 46.19 43.13 2jwy s LEU 161 CO 0.35 -2.44 0.95 -1.61 0.02 0.00 0.00 176.35 173.62 2jwy s GLU 162 N 6.28 4.46 -0.13 1.70 2.02 -1.26 -4.98 118.70 126.78 2jwy s GLU 162 Ca 0.64 1.32 -0.32 0.00 0.02 0.00 0.00 54.97 56.63 2jwy s GLU 162 Cb -0.03 -3.51 -0.09 0.00 0.10 0.00 0.00 34.13 30.59 2jwy s GLU 162 CO 0.01 -0.20 2.04 0.72 0.02 0.00 0.00 175.26 177.85 2jwy n HIS 163 N 4.56 2.17 -2.32 1.61 8.25 -1.26 -4.89 115.22 123.33 2jwy n HIS 163 Ca 0.07 -0.09 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2jwy n HIS 163 Cb 0.50 -2.70 -0.03 0.00 1.12 0.00 0.00 29.99 28.88 2jwy n HIS 163 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jwy s HIS 164 N 5.80 3.36 -0.67 4.41 0.09 -1.26 -4.99 115.29 122.03 2jwy s HIS 164 Ca 0.97 1.18 -0.09 0.00 -0.00 0.00 0.00 55.06 57.11 2jwy s HIS 164 Cb -0.56 -3.52 0.17 0.00 -0.00 0.00 0.00 32.58 28.67 2jwy s HIS 164 CO 0.45 -1.69 0.55 -1.01 -0.00 0.00 0.00 174.74 173.04 2jwy s HIS 165 N 1.00 3.54 -0.07 1.40 3.76 -1.26 -5.06 115.29 118.61 2jwy s HIS 165 Ca 0.61 -2.19 -0.30 0.00 -0.15 0.00 0.00 55.06 53.02 2jwy s HIS 165 Cb -0.32 -3.53 -0.02 0.00 1.11 0.00 0.00 32.58 29.81 2jwy s HIS 165 CO 0.30 -0.94 1.03 -3.38 -0.85 0.00 0.00 174.74 170.90 2jwy s HIS 166 N 0.39 3.52 -0.20 1.40 -3.43 -1.26 -4.39 115.29 111.32 2jwy s HIS 166 Ca 0.14 1.57 -0.02 0.00 -0.80 0.00 0.00 55.06 55.95 2jwy s HIS 166 Cb -0.18 -3.20 0.00 0.00 -1.43 0.00 0.00 32.58 27.77 2jwy s HIS 166 CO -0.05 -0.32 0.08 1.58 -2.00 0.00 0.00 174.74 174.04 2jwy n HIS 167 N 4.71 -2.27 1.10 0.38 -0.00 -1.26 -5.35 115.22 112.54 2jwy n HIS 167 Ca 0.08 0.98 0.09 0.00 -0.00 0.00 0.00 57.72 58.87 2jwy n HIS 167 Cb 0.49 -2.98 0.52 0.00 -0.00 0.00 0.00 29.99 28.02 2jwy n HIS 167 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95