#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwy n VAL 2 N 0.00 0.00 -2.20 2.03 0.24 -1.26 -4.64 118.33 112.50 2jwy n VAL 2 Ca 0.00 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.34 61.93 2jwy n VAL 2 Cb 0.00 -0.29 -0.04 0.00 -1.47 0.00 0.00 33.84 32.04 2jwy n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jwy n GLN 3 N -1.11 2.20 -3.96 7.34 3.00 -1.26 -4.94 117.38 118.66 2jwy n GLN 3 Ca 0.15 -2.74 -0.29 0.00 -0.01 0.00 0.00 57.00 54.11 2jwy n GLN 3 Cb 0.25 -3.61 -0.04 0.00 0.00 0.00 0.00 30.24 26.85 2jwy n GLN 3 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2jwy s GLN 4 N 5.53 3.34 -1.13 -1.09 -2.07 -1.26 -5.01 119.66 117.96 2jwy s GLN 4 Ca 0.62 -0.56 -0.17 0.00 -1.82 0.00 0.00 55.36 53.43 2jwy s GLN 4 Cb 0.02 -2.95 -0.06 0.00 -1.09 0.00 0.00 33.01 28.93 2jwy s GLN 4 CO 0.11 0.56 2.11 0.43 -1.32 0.00 0.00 175.29 177.19 2jwy n SER 5 N -0.04 3.46 -4.59 12.60 7.64 -1.26 -4.92 113.62 126.52 2jwy n SER 5 Ca -0.06 -2.74 -0.41 0.00 1.01 0.00 0.00 58.87 56.67 2jwy n SER 5 Cb 0.52 -1.39 -0.07 0.00 -1.01 0.00 0.00 64.21 62.26 2jwy n SER 5 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2jwy s GLU 6 N 3.99 3.86 0.03 1.43 2.12 -1.26 -5.06 118.70 123.81 2jwy s GLU 6 Ca 0.52 0.13 -0.00 0.00 0.36 0.00 0.00 54.97 55.98 2jwy s GLU 6 Cb 0.14 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 2jwy s GLU 6 CO 0.01 -0.52 0.15 0.54 -0.54 0.00 0.00 175.26 174.90 2jwy s VAL 7 N 2.42 5.10 -0.35 3.70 0.11 -1.26 -5.01 120.40 125.10 2jwy s VAL 7 Ca 0.21 -0.42 0.08 0.00 -2.93 0.00 0.00 61.98 58.93 2jwy s VAL 7 Cb -0.15 -3.43 0.70 0.00 -1.53 0.00 0.00 36.38 31.97 2jwy s VAL 7 CO 0.11 0.22 1.81 0.54 -3.33 0.00 0.00 175.10 174.45 2jwy n ARG 8 N 0.65 3.15 -1.51 1.54 1.74 -1.26 -4.99 116.66 115.99 2jwy n ARG 8 Ca -0.09 -3.07 -0.48 0.00 -0.77 0.00 0.00 57.85 53.44 2jwy n ARG 8 Cb 0.52 -2.17 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 2jwy n ARG 8 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2jwy n GLN 9 N -0.52 1.40 -2.02 5.56 7.27 -1.26 -4.85 117.38 122.96 2jwy n GLN 9 Ca 0.45 0.40 -0.30 0.00 0.07 0.00 0.00 57.00 57.62 2jwy n GLN 9 Cb 1.43 -2.69 -0.04 0.00 2.41 0.00 0.00 30.24 31.34 2jwy n GLN 9 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 2jwy s MET 10 N 6.09 2.54 0.06 3.69 -2.45 -1.26 -4.96 119.30 123.00 2jwy s MET 10 Ca 1.06 0.03 -0.20 0.00 -1.25 0.00 0.00 55.69 55.33 2jwy s MET 10 Cb -0.70 -4.85 -0.06 0.00 1.25 0.00 0.00 34.83 30.47 2jwy s MET 10 CO 0.45 -3.22 0.59 0.15 1.05 0.00 0.00 175.02 174.04 2jwy s LYS 11 N 7.10 4.26 -1.17 4.11 -0.14 -1.26 -4.99 119.74 127.65 2jwy s LYS 11 Ca 0.70 0.77 -0.22 0.00 -1.36 0.00 0.00 55.97 55.87 2jwy s LYS 11 Cb -0.09 -3.27 -0.03 0.00 -1.68 0.00 0.00 37.83 32.76 2jwy s LYS 11 CO 0.06 0.56 1.85 -1.58 -0.76 0.00 0.00 175.35 175.48 2jwy s HIS 12 N -0.87 2.20 -0.14 3.18 5.65 -1.26 -4.85 115.29 119.21 2jwy s HIS 12 Ca 0.30 -0.18 -0.06 0.00 0.25 0.00 0.00 55.06 55.36 2jwy s HIS 12 Cb -0.19 -4.26 0.06 0.00 -1.18 0.00 0.00 32.58 27.00 2jwy s HIS 12 CO 0.19 -1.48 0.31 -1.12 -0.65 0.00 0.00 174.74 171.99 2jwy s SER 13 N 5.94 -0.17 0.17 9.88 0.01 -1.26 -5.14 113.70 123.13 2jwy s SER 13 Ca 0.63 0.69 -0.31 0.00 1.31 0.00 0.00 55.95 58.28 2jwy s SER 13 Cb -0.00 0.69 -0.09 0.00 0.21 0.00 0.00 66.02 66.83 2jwy s SER 13 CO 0.09 -0.20 1.43 0.54 0.41 0.00 0.00 173.24 175.50 2jwy s VAL 14 N 1.76 2.99 -0.09 3.43 0.11 -1.26 -5.02 120.40 122.33 2jwy s VAL 14 Ca -0.06 0.75 -0.02 0.00 -2.93 0.00 0.00 61.98 59.73 2jwy s VAL 14 Cb -0.10 -3.48 0.03 0.00 -1.53 0.00 0.00 36.38 31.30 2jwy s VAL 14 CO -0.10 0.08 0.02 -0.55 -3.33 0.00 0.00 175.10 171.22 2jwy s SER 15 N 0.82 1.71 -0.41 3.54 0.15 -1.26 -5.12 113.70 113.13 2jwy s SER 15 Ca 0.63 -0.17 -0.23 0.00 0.70 0.00 0.00 55.95 56.88 2jwy s SER 15 Cb -0.39 -0.40 0.02 0.00 -1.71 0.00 0.00 66.02 63.53 2jwy s SER 15 CO 0.35 -0.23 0.79 0.42 1.20 0.00 0.00 173.24 175.77 2jwy s THR 16 N 2.00 4.68 0.77 6.45 -4.23 -1.26 -5.06 115.64 119.00 2jwy s THR 16 Ca 0.04 0.67 -0.09 0.00 -1.18 0.00 0.00 61.69 61.13 2jwy s THR 16 Cb -0.13 -4.27 0.08 0.00 1.34 0.00 0.00 72.50 69.53 2jwy s THR 16 CO -0.05 -0.58 1.10 -0.76 -0.54 0.00 0.00 174.62 173.79 2jwy s LEU 17 N 3.22 2.71 0.56 4.79 1.02 -1.26 -5.06 118.68 124.65 2jwy s LEU 17 Ca 0.31 0.51 -0.18 0.00 0.02 0.00 0.00 54.13 54.79 2jwy s LEU 17 Cb -0.13 -3.03 -0.05 0.00 0.02 0.00 0.00 46.19 43.00 2jwy s LEU 17 CO 0.20 -1.83 1.09 0.21 0.02 0.00 0.00 176.35 176.04 2jwy s ASN 18 N -4.59 5.78 -0.67 2.29 3.04 -1.26 -4.89 114.94 114.64 2jwy s ASN 18 Ca 0.62 2.00 -0.26 0.00 0.04 0.00 0.00 52.86 55.26 2jwy s ASN 18 Cb -0.10 -2.56 -0.12 0.00 -1.54 0.00 0.00 41.25 36.94 2jwy s ASN 18 CO 0.47 -1.17 2.42 0.00 -3.04 0.00 0.00 177.10 175.78 2jwy n GLN 19 N -1.60 0.74 -1.98 0.43 6.02 -1.26 -4.92 117.38 114.82 2jwy n GLN 19 Ca 0.10 -0.47 -0.41 0.00 -0.01 0.00 0.00 57.00 56.21 2jwy n GLN 19 Cb 0.52 -3.52 -0.02 0.00 1.02 0.00 0.00 30.24 28.24 2jwy n GLN 19 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2jwy s GLU 20 N 8.63 4.25 1.13 -1.09 2.12 -1.26 -5.00 118.70 127.49 2jwy s GLU 20 Ca 0.96 2.34 -0.18 0.00 0.36 0.00 0.00 54.97 58.46 2jwy s GLU 20 Cb -0.18 -3.09 0.26 0.00 0.26 0.00 0.00 34.13 31.38 2jwy s GLU 20 CO 0.17 -0.43 1.16 -1.64 -0.54 0.00 0.00 175.26 173.98 2jwy s MET 21 N -0.63 -0.68 0.92 4.30 -1.94 -1.26 -5.04 119.30 114.98 2jwy s MET 21 Ca 0.58 -0.11 -0.12 0.00 -1.71 0.00 0.00 55.69 54.33 2jwy s MET 21 Cb -0.43 -1.66 0.14 0.00 2.01 0.00 0.00 34.83 34.89 2jwy s MET 21 CO 0.46 -3.34 1.13 0.95 -0.01 0.00 0.00 175.02 174.21 2jwy s THR 22 N -3.21 2.04 1.07 2.05 -4.23 -1.26 -5.07 115.64 107.03 2jwy s THR 22 Ca 0.71 0.01 -0.18 0.00 -1.18 0.00 0.00 61.69 61.06 2jwy s THR 22 Cb -0.09 -2.72 0.25 0.00 1.34 0.00 0.00 72.50 71.28 2jwy s THR 22 CO 0.55 -0.02 1.27 -1.10 -0.54 0.00 0.00 174.62 174.78 2jwy s GLN 23 N -5.23 -0.22 0.00 3.99 -0.21 -1.26 -5.11 119.66 111.63 2jwy s GLN 23 Ca 0.64 -0.38 -0.09 0.00 0.02 0.00 0.00 55.36 55.55 2jwy s GLN 23 Cb -0.15 -1.74 0.01 0.00 1.00 0.00 0.00 33.01 32.12 2jwy s GLN 23 CO 0.54 -2.99 0.17 -1.17 -2.12 0.00 0.00 175.29 169.72 2jwy s LEU 24 N -6.31 1.43 0.19 2.90 2.96 -1.26 -5.13 118.68 113.46 2jwy s LEU 24 Ca 0.75 -0.17 -0.33 0.00 -0.22 0.00 0.00 54.13 54.16 2jwy s LEU 24 Cb -0.04 0.79 -0.14 0.00 0.50 0.00 0.00 46.19 47.30 2jwy s LEU 24 CO 0.54 -0.40 1.48 -3.20 -1.32 0.00 0.00 176.35 173.46 2jwy n ASN 25 N 1.37 2.78 -0.17 3.68 2.85 -1.26 -4.81 115.26 119.71 2jwy n ASN 25 Ca -0.22 1.11 -0.02 0.00 -0.11 0.00 0.00 54.58 55.34 2jwy n ASN 25 Cb 0.56 -1.40 0.06 0.00 1.24 0.00 0.00 39.78 40.23 2jwy n ASN 25 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2jwy h GLN 26 N 5.06 0.07 -0.45 1.20 1.08 -2.00 0.11 115.11 120.18 2jwy h GLN 26 Ca -0.45 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.75 2jwy h GLN 26 Cb 1.27 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.66 2jwy h GLN 26 CO 0.82 0.05 0.29 1.05 -0.95 0.00 0.00 178.83 180.09 2jwy h GLU 27 N 0.07 0.57 -0.43 1.46 4.11 -1.90 -1.98 114.58 116.48 2jwy h GLU 27 Ca 0.26 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.66 2jwy h GLU 27 Cb 0.40 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2jwy h GLU 27 CO -0.47 0.38 0.29 1.15 0.07 0.00 0.00 179.01 180.42 2jwy h THR 28 N 0.59 1.11 -0.12 -1.06 2.02 -1.59 0.57 112.91 114.42 2jwy h THR 28 Ca 0.17 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2jwy h THR 28 Cb -0.05 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2jwy h THR 28 CO -0.05 0.11 0.05 0.58 0.37 0.00 0.00 175.52 176.58 2jwy h VAL 29 N 0.59 1.13 -0.54 3.16 2.07 -0.34 0.28 116.25 122.61 2jwy h VAL 29 Ca 0.16 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2jwy h VAL 29 Cb -0.07 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2jwy h VAL 29 CO -0.03 0.12 0.22 0.11 0.02 0.00 0.00 177.57 178.00 2jwy h LYS 30 N 0.05 0.77 -0.17 1.57 6.56 -0.66 0.92 116.57 125.60 2jwy h LYS 30 Ca 0.04 -0.11 -0.01 0.00 -1.06 0.00 0.00 60.65 59.51 2jwy h LYS 30 Cb 0.14 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 2jwy h LYS 30 CO -0.00 0.63 0.09 0.82 -2.06 0.00 0.00 179.45 178.92 2jwy h ILE 31 N 0.76 1.12 -0.53 1.86 2.04 -0.71 0.22 117.51 122.27 2jwy h ILE 31 Ca 0.18 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2jwy h ILE 31 Cb 0.14 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2jwy h ILE 31 CO -0.02 0.11 0.35 0.74 0.00 0.00 0.00 178.15 179.33 2jwy h THR 32 N 0.17 1.14 -0.32 -0.27 2.02 -0.40 -0.51 112.91 114.73 2jwy h THR 32 Ca 0.06 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 2jwy h THR 32 Cb 0.10 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2jwy h THR 32 CO -0.01 0.14 -0.16 -0.61 0.37 0.00 0.00 175.52 175.25 2jwy h GLN 33 N 0.72 0.67 0.30 6.66 4.15 -0.51 -2.67 115.11 124.42 2jwy h GLN 33 Ca 0.19 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.32 2jwy h GLN 33 Cb -0.07 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 2jwy h GLN 33 CO -0.04 0.88 -0.31 0.37 -1.93 0.00 0.00 178.83 177.80 2jwy h GLN 34 N 0.43 -0.62 -0.48 1.69 -0.00 0.22 -0.85 115.11 115.50 2jwy h GLN 34 Ca 0.07 0.04 0.08 0.00 -0.00 0.00 0.00 58.65 58.84 2jwy h GLN 34 Cb 0.69 0.14 -0.06 0.00 0.00 0.00 0.00 27.48 28.24 2jwy h GLN 34 CO 0.05 -0.41 0.11 -0.91 0.00 0.00 0.00 178.83 177.66 2jwy h ASN 35 N -0.65 0.04 -0.16 -0.69 2.35 -1.18 0.46 115.58 115.77 2jwy h ASN 35 Ca -0.01 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2jwy h ASN 35 Cb 0.59 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2jwy h ASN 35 CO -0.07 0.05 0.08 0.03 -1.65 0.00 0.00 177.43 175.87 2jwy h ARG 36 N 0.25 0.22 -0.21 0.81 3.08 -1.32 -2.37 114.38 114.85 2jwy h ARG 36 Ca 0.24 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 2jwy h ARG 36 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2jwy h ARG 36 CO -0.30 0.26 -0.23 -0.07 -1.07 0.00 0.00 179.97 178.56 2jwy h LEU 37 N 0.13 0.38 -0.28 3.04 3.38 -0.80 -2.39 115.31 118.76 2jwy h LEU 37 Ca 0.05 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2jwy h LEU 37 Cb 0.11 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2jwy h LEU 37 CO -0.01 0.62 0.02 -1.13 0.09 0.00 0.00 178.44 178.04 2jwy h ASN 38 N 0.34 -0.06 0.18 -0.43 -0.73 0.21 0.31 115.58 115.40 2jwy h ASN 38 Ca 0.05 0.06 -0.09 0.00 1.87 0.00 0.00 56.30 58.19 2jwy h ASN 38 Cb 0.60 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 2jwy h ASN 38 CO 0.04 0.00 -0.34 0.00 -0.37 0.00 0.00 177.43 176.77 2jwy h ALA 39 N 1.23 1.21 0.00 1.57 0.00 -1.32 -2.64 119.26 119.31 2jwy h ALA 39 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jwy h ALA 39 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jwy h ALA 39 CO -0.21 0.53 0.00 1.63 0.00 0.00 0.00 179.25 181.20 2jwy n LYS 40 N -4.09 0.02 -3.09 0.00 5.02 -0.65 -4.78 118.16 110.59 2jwy n LYS 40 Ca -0.01 0.11 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 2jwy n LYS 40 Cb 0.42 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 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 -3.14 7.02 -0.09 4.39 0.15 0.01 -4.95 113.70 117.08 2jwy s SER 41 Ca 0.11 1.22 0.17 0.00 0.70 0.00 0.00 55.95 58.15 2jwy s SER 41 Cb 0.15 -2.40 -0.25 0.00 -1.71 0.00 0.00 66.02 61.81 2jwy s SER 41 CO 0.44 -0.02 0.23 -1.54 1.20 0.00 0.00 173.24 173.56 2jwy n SER 42 N 3.25 0.84 -4.31 5.45 3.41 -1.26 -4.82 113.62 116.18 2jwy n SER 42 Ca -0.03 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.11 2jwy n SER 42 Cb 0.51 1.39 -0.03 0.00 -0.26 0.00 0.00 64.21 65.82 2jwy n SER 42 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jwy s SER 43 N -4.57 6.51 0.67 4.04 0.15 -1.26 -5.01 113.70 114.23 2jwy s SER 43 Ca -0.07 -2.39 0.00 0.00 0.70 0.00 0.00 55.95 54.18 2jwy s SER 43 Cb 0.08 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2jwy s SER 43 CO 0.72 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 175.11 2jwy n GLY 44 N 4.38 0.11 3.44 9.45 0.00 -1.26 -4.69 105.19 116.63 2jwy n GLY 44 Ca 0.04 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 2.71 -0.38 1.61 -7.23 0.02 -4.83 120.40 112.31 2jwy s VAL 45 Ca 0.00 -1.20 -0.26 0.00 -1.81 0.00 0.00 61.98 58.70 2jwy s VAL 45 Cb 0.00 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.83 2jwy s VAL 45 CO 0.00 0.35 0.96 -0.31 -0.31 0.00 0.00 175.10 175.79 2jwy s TYR 46 N -0.91 3.05 -0.66 2.82 2.02 -1.26 -1.24 117.35 121.18 2jwy s TYR 46 Ca 0.14 0.78 -0.11 0.00 -0.37 0.00 0.00 57.07 57.51 2jwy s TYR 46 Cb -0.10 -3.76 0.17 0.00 -0.40 0.00 0.00 41.96 37.86 2jwy s TYR 46 CO 0.05 -0.89 0.56 -0.51 -1.57 0.00 0.00 175.55 173.19 2jwy s LEU 47 N 3.62 6.13 -0.13 -1.29 1.43 0.53 -4.83 118.68 124.13 2jwy s LEU 47 Ca 0.40 -2.38 -0.29 0.00 -1.03 0.00 0.00 54.13 50.82 2jwy s LEU 47 Cb -0.11 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 2jwy s LEU 47 CO 0.20 -0.62 1.33 -0.76 0.23 0.00 0.00 176.35 176.73 2jwy s LEU 48 N 0.66 4.22 0.64 1.79 1.02 -1.26 -0.79 118.68 124.95 2jwy s LEU 48 Ca 0.12 1.81 0.35 0.00 0.02 0.00 0.00 54.13 56.43 2jwy s LEU 48 Cb -0.19 -3.54 1.94 0.00 0.02 0.00 0.00 46.19 44.41 2jwy s LEU 48 CO -0.04 -0.77 2.16 1.55 0.02 0.00 0.00 176.35 179.27 2jwy h PRO 49 N 8.34 0.00 0.00 1.29 0.13 -1.89 0.21 132.00 140.08 2jwy h PRO 49 Ca -0.30 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 2jwy h PRO 49 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2jwy h PRO 49 CO 0.96 0.00 -0.38 0.78 -0.23 0.00 0.00 178.00 179.13 2jwy h GLY 50 N 0.00 0.00 0.36 1.56 0.00 -1.88 -3.36 103.07 99.75 2jwy h GLY 50 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.99 2jwy h GLY 50 CO -0.00 0.00 -2.16 0.00 0.00 0.00 0.00 176.54 174.38 2jwy n ALA 51 N -2.16 1.08 -0.68 3.60 0.00 0.48 -4.82 120.51 118.02 2jwy n ALA 51 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2jwy n ALA 51 Cb 0.60 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2jwy n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jwy n LYS 52 N -3.46 -0.43 -2.21 0.00 5.02 0.23 -4.82 118.16 112.49 2jwy n LYS 52 Ca -0.38 0.11 -0.34 0.00 -2.02 0.00 0.00 58.31 55.68 2jwy n LYS 52 Cb 1.01 -4.34 0.00 0.00 -0.02 0.00 0.00 35.03 31.69 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 -1.36 3.30 0.21 -0.18 -4.23 -1.26 -3.87 115.64 108.25 2jwy s THR 53 Ca 0.00 0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 60.98 2jwy s THR 53 Cb 0.00 -3.29 -0.08 0.00 1.34 0.00 0.00 72.50 70.47 2jwy s THR 53 CO 0.00 -0.22 1.18 -2.16 -0.54 0.00 0.00 174.62 172.88 2jwy s PRO 54 N -3.45 4.52 -0.01 3.99 0.04 -1.26 -4.57 135.00 134.26 2jwy s PRO 54 Ca 0.71 1.87 0.08 0.00 0.04 0.00 0.00 61.00 63.70 2jwy s PRO 54 Cb -0.22 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 2jwy s PRO 54 CO 0.29 -0.02 -0.25 0.00 0.04 0.00 0.00 177.00 177.05 2jwy s ALA 55 N -0.34 2.12 -0.16 8.56 0.00 0.27 -4.94 121.76 127.27 2jwy s ALA 55 Ca 0.51 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.18 2jwy s ALA 55 Cb -0.33 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2jwy s ALA 55 CO 0.38 0.52 0.46 0.50 0.00 0.00 0.00 175.76 177.61 2jwy s ARG 56 N -0.68 4.26 -0.07 0.00 3.52 -1.26 -1.58 118.95 123.14 2jwy s ARG 56 Ca 0.10 0.36 0.01 0.00 -0.13 0.00 0.00 55.73 56.07 2jwy s ARG 56 Cb -0.10 -3.49 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 2jwy s ARG 56 CO -0.01 0.04 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.27 2jwy s LEU 57 N 1.03 1.38 -0.70 -0.88 2.96 0.23 -4.94 118.68 117.77 2jwy s LEU 57 Ca 0.23 -0.23 -0.20 0.00 -0.22 0.00 0.00 54.13 53.71 2jwy s LEU 57 Cb -0.15 -0.68 0.10 0.00 0.50 0.00 0.00 46.19 45.96 2jwy s LEU 57 CO 0.09 -0.04 0.90 -0.70 -1.32 0.00 0.00 176.35 175.28 2jwy s GLU 58 N 1.04 3.20 0.52 1.98 2.12 -1.26 -1.36 118.70 124.94 2jwy s GLU 58 Ca -0.08 -1.24 0.01 0.00 0.36 0.00 0.00 54.97 54.02 2jwy s GLU 58 Cb -0.14 -4.38 0.10 0.00 0.26 0.00 0.00 34.13 29.96 2jwy s GLU 58 CO -0.00 -1.70 0.72 -1.13 -0.54 0.00 0.00 175.26 172.61 2jwy n SER 59 N 6.89 1.08 0.10 -1.70 3.41 -0.40 -4.96 113.62 118.04 2jwy n SER 59 Ca 0.00 -1.89 -0.01 0.00 -0.26 0.00 0.00 58.87 56.72 2jwy n SER 59 Cb 0.45 -0.45 0.27 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.25 0.00 4.33 4.20 -1.96 -3.15 115.11 118.78 2jwy h GLN 60 Ca -0.24 -0.10 -0.25 0.00 0.06 0.00 0.00 58.65 58.13 2jwy h GLN 60 Cb 0.91 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.64 2jwy h GLN 60 CO 0.27 0.55 -1.31 -0.84 -0.67 0.00 0.00 178.83 176.82 2jwy h ILE 61 N 0.22 1.34 0.00 2.54 3.07 -1.95 -3.50 117.51 119.23 2jwy h ILE 61 Ca 0.03 -3.11 0.00 0.00 1.55 0.00 0.00 64.86 63.33 2jwy h ILE 61 Cb 0.68 2.66 0.00 0.00 -0.27 0.00 0.00 36.82 39.89 2jwy h ILE 61 CO 0.05 0.76 0.00 0.61 -1.05 0.00 0.00 178.15 178.52 2jwy n GLY 62 N 1.44 -2.48 3.56 0.16 0.00 -1.19 -4.97 105.19 101.70 2jwy n GLY 62 Ca -0.07 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.23 4.44 0.43 2.61 2.01 -1.26 -1.27 115.64 120.37 2jwy s THR 63 Ca 0.00 0.65 0.06 0.00 0.31 0.00 0.00 61.69 62.71 2jwy s THR 63 Cb 0.00 -4.47 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 2jwy s THR 63 CO 0.00 -0.91 0.11 -1.48 -0.69 0.00 0.00 174.62 171.65 2jwy s LEU 64 N 3.84 2.90 -0.12 4.42 0.05 -0.47 -1.90 118.68 127.39 2jwy s LEU 64 Ca 0.36 -1.27 -0.04 0.00 0.05 0.00 0.00 54.13 53.23 2jwy s LEU 64 Cb -0.10 -1.14 0.05 0.00 -2.05 0.00 0.00 46.19 42.95 2jwy s LEU 64 CO 0.25 -0.59 0.10 -0.60 -0.55 0.00 0.00 176.35 174.95 2jwy s ARG 65 N -3.86 0.02 0.22 1.48 3.52 0.20 -0.60 118.95 119.93 2jwy s ARG 65 Ca 0.34 0.14 0.06 0.00 -0.13 0.00 0.00 55.73 56.13 2jwy s ARG 65 Cb 0.05 -1.23 -0.03 0.00 -1.56 0.00 0.00 34.95 32.18 2jwy s ARG 65 CO 0.18 -0.53 0.24 -1.64 -0.81 0.00 0.00 175.30 172.74 2jwy s MET 66 N 2.18 3.12 0.10 5.12 -1.94 -0.61 -0.31 119.30 126.95 2jwy s MET 66 Ca 0.03 -0.89 -0.21 0.00 -1.71 0.00 0.00 55.69 52.91 2jwy s MET 66 Cb -0.14 -2.71 0.05 0.00 2.01 0.00 0.00 34.83 34.04 2jwy s MET 66 CO -0.07 0.44 0.51 -1.54 -0.01 0.00 0.00 175.02 174.35 2jwy s SER 67 N -3.68 -0.42 -0.24 3.03 1.04 -1.05 -0.56 113.70 111.81 2jwy s SER 67 Ca 0.33 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.70 2jwy s SER 67 Cb -0.09 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.56 2jwy s SER 67 CO 0.26 -0.83 -0.03 -0.76 0.98 0.00 0.00 173.24 172.86 2jwy s LEU 68 N -2.45 3.14 0.17 2.42 1.43 -1.25 -2.58 118.68 119.56 2jwy s LEU 68 Ca -0.01 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2jwy s LEU 68 Cb 0.00 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 2jwy s LEU 68 CO -0.08 -0.08 0.02 0.68 0.23 0.00 0.00 176.35 177.12 2jwy s VAL 69 N 1.43 0.56 -1.42 -1.59 -7.23 -1.06 -4.67 120.40 106.43 2jwy s VAL 69 Ca 0.04 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.13 2jwy s VAL 69 Cb -0.15 -2.15 0.04 0.00 0.56 0.00 0.00 36.38 34.67 2jwy s VAL 69 CO -0.03 -0.43 1.12 0.59 -0.31 0.00 0.00 175.10 176.04 2jwy n ASN 70 N -0.23 -5.85 -4.61 4.85 3.02 -1.26 -0.36 115.26 110.81 2jwy n ASN 70 Ca -0.06 -0.62 -0.43 0.00 -0.03 0.00 0.00 54.58 53.44 2jwy n ASN 70 Cb 0.64 -4.64 -0.03 0.00 -0.61 0.00 0.00 39.78 35.14 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 -3.31 3.64 0.04 2.41 1.01 -1.26 -4.27 121.20 119.46 2jwy s ILE 71 Ca 0.61 0.69 0.01 0.00 0.00 0.00 0.00 60.65 61.97 2jwy s ILE 71 Cb -0.28 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 2jwy s ILE 71 CO 0.76 -0.41 -0.06 0.42 0.00 0.00 0.00 174.94 175.65 2jwy s THR 72 N 5.89 0.42 0.51 2.92 -4.23 0.18 -5.00 115.64 116.33 2jwy s THR 72 Ca 0.73 -1.14 -0.22 0.00 -1.18 0.00 0.00 61.69 59.88 2jwy s THR 72 Cb -0.22 -0.65 -0.06 0.00 1.34 0.00 0.00 72.50 72.91 2jwy s THR 72 CO 0.31 -0.48 1.24 -2.16 -0.54 0.00 0.00 174.62 172.99 2jwy s PRO 73 N -1.85 3.45 0.41 3.99 0.04 -1.26 0.24 135.00 140.02 2jwy s PRO 73 Ca -0.09 1.95 0.07 0.00 0.04 0.00 0.00 61.00 62.97 2jwy s PRO 73 Cb -0.08 -2.30 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 2jwy s PRO 73 CO -0.01 -0.86 0.15 0.34 0.04 0.00 0.00 177.00 176.66 2jwy s ASP 74 N -1.23 4.32 0.27 6.66 2.15 0.07 -4.51 116.67 124.40 2jwy s ASP 74 Ca 0.68 -1.13 -0.01 0.00 0.43 0.00 0.00 52.55 52.52 2jwy s ASP 74 Cb -0.33 -0.47 0.46 0.00 -0.30 0.00 0.00 42.92 42.29 2jwy s ASP 74 CO 0.39 -0.52 1.84 0.00 -0.17 0.00 0.00 175.17 176.72 2jwy h ALA 75 N 1.50 1.39 0.00 3.66 0.00 -1.97 -3.34 119.26 120.50 2jwy h ALA 75 Ca -0.43 0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.23 2jwy h ALA 75 Cb 1.25 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2jwy h ALA 75 CO 0.72 0.27 -1.90 -3.47 0.00 0.00 0.00 179.25 174.87 2jwy n ASP 76 N -4.61 1.87 0.00 0.00 2.03 -1.26 -5.08 116.55 109.50 2jwy n ASP 76 Ca 0.16 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.55 2jwy n ASP 76 Cb 0.28 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 2jwy n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jwy n GLY 77 N 2.31 2.35 3.06 0.27 0.00 -1.20 -3.04 105.19 108.95 2jwy n GLY 77 Ca -0.30 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 2.01 -0.12 -0.27 2.61 2.01 0.42 -0.75 115.64 121.54 2jwy s THR 78 Ca 0.00 0.17 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 2jwy s THR 78 Cb 0.00 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 2jwy s THR 78 CO 0.00 0.07 0.23 0.42 -0.69 0.00 0.00 174.62 174.65 2jwy s THR 79 N 1.52 5.28 0.04 -0.82 -4.23 0.14 0.28 115.64 117.86 2jwy s THR 79 Ca -0.07 0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.73 2jwy s THR 79 Cb -0.11 -3.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 2jwy s THR 79 CO -0.09 0.24 -0.06 -1.48 -0.54 0.00 0.00 174.62 172.69 2jwy s LEU 80 N 1.72 2.28 -0.39 4.79 0.05 -0.79 -0.65 118.68 125.69 2jwy s LEU 80 Ca 0.09 -0.59 -0.26 0.00 0.05 0.00 0.00 54.13 53.42 2jwy s LEU 80 Cb -0.16 -0.08 0.02 0.00 -2.05 0.00 0.00 46.19 43.93 2jwy s LEU 80 CO 0.10 -0.26 0.97 -0.89 -0.55 0.00 0.00 176.35 175.71 2jwy s THR 81 N -1.65 4.52 -0.45 5.48 2.01 0.52 -0.09 115.64 125.98 2jwy s THR 81 Ca -0.09 1.19 -0.20 0.00 0.31 0.00 0.00 61.69 62.89 2jwy s THR 81 Cb -0.08 -4.39 0.03 0.00 0.01 0.00 0.00 72.50 68.07 2jwy s THR 81 CO -0.01 -0.63 0.63 -0.22 -0.69 0.00 0.00 174.62 173.70 2jwy s LEU 82 N 3.65 4.58 -0.25 4.42 1.98 0.17 -2.55 118.68 130.68 2jwy s LEU 82 Ca 0.40 -0.44 -0.10 0.00 -2.89 0.00 0.00 54.13 51.10 2jwy s LEU 82 Cb -0.11 -2.67 -0.05 0.00 0.66 0.00 0.00 46.19 44.03 2jwy s LEU 82 CO 0.21 -0.79 0.15 -0.13 -1.89 0.00 0.00 176.35 173.90 2jwy s ARG 83 N 2.76 3.97 -0.49 1.98 0.52 -1.07 -0.88 118.95 125.74 2jwy s ARG 83 Ca 0.21 -0.32 -0.14 0.00 -0.52 0.00 0.00 55.73 54.96 2jwy s ARG 83 Cb -0.15 -3.52 0.10 0.00 0.52 0.00 0.00 34.95 31.90 2jwy s ARG 83 CO 0.18 -0.04 0.40 0.42 0.02 0.00 0.00 175.30 176.28 2jwy s ILE 84 N 1.31 4.90 -0.16 1.52 1.09 0.16 -2.54 121.20 127.48 2jwy s ILE 84 Ca 0.07 -1.39 -0.08 0.00 -1.10 0.00 0.00 60.65 58.14 2jwy s ILE 84 Cb -0.14 -4.06 -0.04 0.00 -1.06 0.00 0.00 42.46 37.15 2jwy s ILE 84 CO 0.06 -0.70 0.12 -1.58 -0.10 0.00 0.00 174.94 172.73 2jwy s GLN 85 N 1.55 3.80 -0.17 2.79 0.74 0.57 -0.73 119.66 128.21 2jwy s GLN 85 Ca 0.04 -0.21 -0.29 0.00 0.05 0.00 0.00 55.36 54.94 2jwy s GLN 85 Cb -0.26 -3.27 -0.00 0.00 1.10 0.00 0.00 33.01 30.58 2jwy s GLN 85 CO 0.03 0.51 1.04 0.20 -0.55 0.00 0.00 175.29 176.53 2jwy s GLY 86 N -0.26 1.99 0.32 2.59 0.00 0.84 0.62 107.32 113.42 2jwy s GLY 86 Ca 0.10 0.30 0.15 0.00 0.00 0.00 0.00 44.72 45.27 2jwy s GLY 86 CO 0.01 2.09 1.65 -2.09 0.00 0.00 0.00 173.10 174.76 2jwy h GLU 87 N 7.34 0.00 0.00 2.90 4.57 -1.68 -3.45 114.58 124.25 2jwy h GLU 87 Ca -0.25 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.69 2jwy h GLU 87 Cb 1.10 0.00 0.07 0.00 -0.16 0.00 0.00 28.75 29.76 2jwy h GLU 87 CO 0.92 0.51 0.15 -1.13 -1.18 0.00 0.00 179.01 178.28 2jwy n SER 88 N -3.62 0.37 -1.05 1.04 3.41 -1.25 -5.01 113.62 107.51 2jwy n SER 88 Ca -0.00 -1.43 0.11 0.00 -0.26 0.00 0.00 58.87 57.28 2jwy n SER 88 Cb 0.58 -0.45 0.20 0.00 -0.26 0.00 0.00 64.21 64.28 2jwy n SER 88 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jwy n ASN 89 N -3.22 3.32 -4.91 4.04 3.02 -1.26 -4.71 115.26 111.55 2jwy n ASN 89 Ca 0.09 -1.95 -0.28 0.00 -0.03 0.00 0.00 54.58 52.41 2jwy n ASN 89 Cb 0.31 -0.25 -0.04 0.00 -0.61 0.00 0.00 39.78 39.20 2jwy n ASN 89 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2jwy s ASP 90 N -1.33 6.19 0.24 6.41 1.01 -1.26 -4.41 116.67 123.51 2jwy s ASP 90 Ca 0.36 0.15 -0.30 0.00 0.71 0.00 0.00 52.55 53.47 2jwy s ASP 90 Cb 0.21 -1.84 -0.09 0.00 1.01 0.00 0.00 42.92 42.21 2jwy s ASP 90 CO 0.28 0.10 1.12 -2.16 0.21 0.00 0.00 175.17 174.72 2jwy s PRO 91 N -2.92 4.60 -0.26 8.23 0.04 -1.26 -3.84 135.00 139.59 2jwy s PRO 91 Ca 0.34 1.80 -0.12 0.00 0.04 0.00 0.00 61.00 63.05 2jwy s PRO 91 Cb -0.12 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 2jwy s PRO 91 CO 0.27 0.13 0.26 -0.51 0.04 0.00 0.00 177.00 177.18 2jwy s LEU 92 N -0.99 4.07 1.05 -3.56 1.43 -1.13 -4.97 118.68 114.57 2jwy s LEU 92 Ca 0.47 0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 2jwy s LEU 92 Cb -0.32 -2.25 0.21 0.00 0.03 0.00 0.00 46.19 43.87 2jwy s LEU 92 CO 0.39 -0.06 1.09 -2.16 0.23 0.00 0.00 176.35 175.84 2jwy s PRO 93 N 1.59 0.04 0.22 1.29 0.04 -1.26 -0.29 135.00 136.63 2jwy s PRO 93 Ca 0.11 0.43 -0.32 0.00 0.04 0.00 0.00 61.00 61.26 2jwy s PRO 93 Cb -0.15 -1.70 -0.12 0.00 0.04 0.00 0.00 34.50 32.57 2jwy s PRO 93 CO 0.09 -2.97 1.65 0.00 0.04 0.00 0.00 177.00 175.80 2jwy n ALA 94 N -4.33 2.38 -2.86 8.56 0.00 -1.25 -4.59 120.51 118.41 2jwy n ALA 94 Ca 0.06 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.80 2jwy n ALA 94 Cb 0.57 -2.46 -0.08 0.00 0.00 0.00 0.00 19.45 17.48 2jwy n ALA 94 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2jwy s PHE 95 N 0.77 0.05 0.14 0.00 -0.71 -1.11 -1.74 117.98 115.38 2jwy s PHE 95 Ca 0.73 -0.27 0.11 0.00 -1.04 0.00 0.00 56.93 56.45 2jwy s PHE 95 Cb -0.55 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.20 2jwy s PHE 95 CO 0.38 -0.43 -0.23 -1.54 -1.34 0.00 0.00 175.22 172.05 2jwy s SER 96 N -2.09 3.52 0.02 1.98 1.04 0.28 -0.94 113.70 117.51 2jwy s SER 96 Ca -0.05 -0.73 -0.02 0.00 0.48 0.00 0.00 55.95 55.64 2jwy s SER 96 Cb -0.01 -0.33 -0.02 0.00 0.10 0.00 0.00 66.02 65.77 2jwy s SER 96 CO -0.04 0.16 0.01 -0.83 0.98 0.00 0.00 173.24 173.52 2jwy s GLY 97 N -2.26 0.20 -0.41 7.32 0.00 -0.16 -0.98 107.32 111.02 2jwy s GLY 97 Ca 0.17 -0.49 -0.15 0.00 0.00 0.00 0.00 44.72 44.25 2jwy s GLY 97 CO 0.08 -0.58 0.30 -1.59 0.00 0.00 0.00 173.10 171.31 2jwy s THR 98 N -1.50 5.25 -0.30 0.90 2.01 -0.41 -0.76 115.64 120.83 2jwy s THR 98 Ca -0.15 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 2jwy s THR 98 Cb -0.09 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2jwy s THR 98 CO -0.01 -0.31 0.17 0.54 -0.69 0.00 0.00 174.62 174.32 2jwy s VAL 99 N 1.68 4.93 0.31 3.82 0.11 -0.43 -2.11 120.40 128.71 2jwy s VAL 99 Ca 0.05 -0.13 -0.19 0.00 -2.93 0.00 0.00 61.98 58.78 2jwy s VAL 99 Cb -0.19 -3.43 -0.09 0.00 -1.53 0.00 0.00 36.38 31.14 2jwy s VAL 99 CO 0.10 0.16 0.80 -1.61 -3.33 0.00 0.00 175.10 171.22 2jwy s GLU 100 N 1.69 4.21 -0.21 1.54 0.41 0.26 -1.61 118.70 124.98 2jwy s GLU 100 Ca 0.06 0.91 -0.15 0.00 -0.41 0.00 0.00 54.97 55.38 2jwy s GLU 100 Cb -0.16 -2.60 0.06 0.00 -1.78 0.00 0.00 34.13 29.65 2jwy s GLU 100 CO 0.08 0.23 0.53 1.52 -0.49 0.00 0.00 175.26 177.13 2jwy s TYR 101 N -1.80 -0.73 0.00 1.61 1.13 0.78 0.39 117.35 118.73 2jwy s TYR 101 Ca 0.51 1.58 0.00 0.00 -1.41 0.00 0.00 57.07 57.75 2jwy s TYR 101 Cb -0.13 0.34 0.00 0.00 -1.10 0.00 0.00 41.96 41.07 2jwy s TYR 101 CO 0.19 -0.37 0.00 0.41 -2.51 0.00 0.00 175.55 173.27 2jwy n GLY 102 N 3.73 2.35 3.33 5.49 0.00 -0.62 -1.42 105.19 118.04 2jwy n GLY 102 Ca -0.19 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 2.70 1.24 -0.34 1.61 -0.21 0.43 -0.93 119.66 124.15 2jwy s GLN 103 Ca 0.00 -1.26 -0.00 0.00 0.02 0.00 0.00 55.36 54.12 2jwy s GLN 103 Cb 0.00 -1.55 0.08 0.00 1.00 0.00 0.00 33.01 32.54 2jwy s GLN 103 CO 0.00 0.36 0.07 0.42 -2.12 0.00 0.00 175.29 174.01 2jwy s ILE 104 N -1.24 2.80 -0.45 1.08 1.01 -1.26 -1.39 121.20 121.74 2jwy s ILE 104 Ca 0.10 -1.89 0.23 0.00 0.00 0.00 0.00 60.65 59.09 2jwy s ILE 104 Cb -0.09 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.57 2jwy s ILE 104 CO 0.05 -0.42 1.19 0.06 0.00 0.00 0.00 174.94 175.82 2jwy h GLN 105 N 7.88 0.00 0.00 2.79 3.07 -1.96 -3.48 115.11 123.42 2jwy h GLN 105 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.60 2jwy h GLN 105 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.60 2jwy h GLN 105 CO 0.57 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.90 2jwy n GLY 106 N 1.26 0.69 3.26 0.06 0.00 -1.26 -4.94 105.19 104.26 2jwy n GLY 106 Ca 0.02 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.95 2jwy n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jwy n THR 107 N 0.00 0.00 0.16 2.61 -2.24 0.36 -4.84 114.28 110.33 2jwy n THR 107 Ca 0.00 -1.99 0.02 0.00 -2.27 0.00 0.00 64.05 59.81 2jwy n THR 107 Cb 0.00 0.13 0.35 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.90 1.25 -0.29 2.28 1.08 -2.00 -2.72 117.51 118.00 2jwy h ILE 108 Ca -0.33 -1.17 -0.18 0.00 -0.39 0.00 0.00 64.86 62.79 2jwy h ILE 108 Cb 1.11 1.56 -0.00 0.00 -3.07 0.00 0.00 36.82 36.42 2jwy h ILE 108 CO 0.54 0.34 -0.51 0.44 -0.69 0.00 0.00 178.15 178.27 2jwy h ASP 109 N 0.09 0.92 -1.55 1.72 3.32 -2.05 -3.43 116.42 115.45 2jwy h ASP 109 Ca 0.01 -0.48 -0.07 0.00 0.02 0.00 0.00 57.03 56.52 2jwy h ASP 109 Cb 0.61 -0.26 -0.26 0.00 0.22 0.00 0.00 39.33 39.63 2jwy h ASP 109 CO 0.04 1.26 -0.41 0.54 -1.72 0.00 0.00 179.24 178.96 2jwy s ASN 110 N -6.92 -0.37 -0.02 6.45 4.22 -1.09 -5.16 114.94 112.06 2jwy s ASN 110 Ca -0.10 0.40 0.05 0.00 -2.14 0.00 0.00 52.86 51.07 2jwy s ASN 110 Cb 0.11 1.50 -0.01 0.00 1.28 0.00 0.00 41.25 44.13 2jwy s ASN 110 CO 0.88 -0.29 -0.18 0.72 -2.04 0.00 0.00 177.10 176.19 2jwy s PHE 111 N 2.66 1.64 -0.21 1.54 -0.71 -1.05 -0.48 117.98 121.37 2jwy s PHE 111 Ca 0.15 -0.33 -0.05 0.00 -1.04 0.00 0.00 56.93 55.66 2jwy s PHE 111 Cb -0.15 -1.06 -0.02 0.00 -1.21 0.00 0.00 43.02 40.58 2jwy s PHE 111 CO -0.19 -0.04 0.00 -0.65 -1.34 0.00 0.00 175.22 173.00 2jwy s GLN 112 N -0.38 3.58 -0.66 1.99 -0.21 -1.26 -4.90 119.66 117.83 2jwy s GLN 112 Ca 0.06 -0.53 -0.27 0.00 0.02 0.00 0.00 55.36 54.64 2jwy s GLN 112 Cb -0.07 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.84 2jwy s GLN 112 CO -0.00 -0.05 1.58 -1.21 -2.12 0.00 0.00 175.29 173.48 2jwy s GLU 113 N 1.17 2.93 0.22 2.91 2.02 -1.26 -3.60 118.70 123.08 2jwy s GLU 113 Ca 0.03 0.24 0.08 0.00 0.02 0.00 0.00 54.97 55.33 2jwy s GLU 113 Cb -0.14 -4.28 -0.04 0.00 0.10 0.00 0.00 34.13 29.77 2jwy s GLU 113 CO 0.01 -2.42 0.06 0.96 0.02 0.00 0.00 175.26 173.90 2jwy s ILE 114 N 7.40 3.91 -1.50 -1.63 -4.36 -0.49 -4.63 121.20 119.90 2jwy s ILE 114 Ca 0.52 -1.52 -0.02 0.00 -0.26 0.00 0.00 60.65 59.38 2jwy s ILE 114 Cb -0.11 -3.04 0.01 0.00 1.25 0.00 0.00 42.46 40.57 2jwy s ILE 114 CO 0.19 -0.24 0.15 0.59 0.24 0.00 0.00 174.94 175.87 2jwy n ASN 115 N -0.62 -5.22 -4.77 4.36 3.02 -1.26 -0.43 115.26 110.34 2jwy n ASN 115 Ca -0.08 -0.03 -0.36 0.00 -0.03 0.00 0.00 54.58 54.07 2jwy n ASN 115 Cb 0.57 -4.33 -0.07 0.00 -0.61 0.00 0.00 39.78 35.33 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 -2.94 5.32 0.32 2.41 0.11 -1.26 -4.37 120.40 120.00 2jwy s VAL 116 Ca 0.09 0.47 0.04 0.00 -2.93 0.00 0.00 61.98 59.65 2jwy s VAL 116 Cb -0.04 -3.58 -0.02 0.00 -1.53 0.00 0.00 36.38 31.21 2jwy s VAL 116 CO 0.11 0.46 0.32 0.00 -3.33 0.00 0.00 175.10 172.65 2jwy s GLN 117 N 0.02 1.75 0.36 1.54 0.00 -0.51 -4.93 119.66 117.89 2jwy s GLN 117 Ca 0.16 -1.91 0.04 0.00 -0.00 0.00 0.00 55.36 53.64 2jwy s GLN 117 Cb -0.13 0.35 -0.05 0.00 0.00 0.00 0.00 33.01 33.18 2jwy s GLN 117 CO 0.04 -0.66 0.07 0.54 0.00 0.00 0.00 175.29 175.28 2jwy s ASN 118 N -3.32 2.66 0.07 12.60 2.20 -1.26 -0.16 114.94 127.73 2jwy s ASN 118 Ca 0.38 -1.48 -0.17 0.00 -0.94 0.00 0.00 52.86 50.64 2jwy s ASN 118 Cb 0.02 0.12 0.03 0.00 -2.00 0.00 0.00 41.25 39.43 2jwy s ASN 118 CO 0.24 -0.72 0.40 -1.58 -2.94 0.00 0.00 177.10 172.51 2jwy s GLN 119 N -3.83 0.96 -0.40 3.55 0.74 -0.64 -4.96 119.66 115.08 2jwy s GLN 119 Ca 0.31 -0.48 -0.16 0.00 0.05 0.00 0.00 55.36 55.08 2jwy s GLN 119 Cb 0.06 0.42 0.01 0.00 1.10 0.00 0.00 33.01 34.61 2jwy s GLN 119 CO 0.14 -0.34 0.39 -0.51 -0.55 0.00 0.00 175.29 174.42 2jwy s LEU 120 N -2.25 4.79 -0.56 3.68 1.43 -1.26 -1.31 118.68 123.20 2jwy s LEU 120 Ca -0.03 -0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 52.29 2jwy s LEU 120 Cb 0.00 -2.33 0.10 0.00 0.03 0.00 0.00 46.19 44.00 2jwy s LEU 120 CO -0.05 -0.49 0.63 0.27 0.23 0.00 0.00 176.35 176.94 2jwy s ILE 121 N 2.01 4.94 -0.39 -0.59 -4.36 0.06 -4.91 121.20 117.96 2jwy s ILE 121 Ca 0.10 -1.03 -0.12 0.00 -0.26 0.00 0.00 60.65 59.35 2jwy s ILE 121 Cb -0.17 -4.41 0.04 0.00 1.25 0.00 0.00 42.46 39.17 2jwy s ILE 121 CO 0.12 -0.99 0.24 0.20 0.24 0.00 0.00 174.94 174.75 2jwy s ASN 122 N 3.42 5.80 0.17 4.36 -0.87 -1.26 -0.99 114.94 125.56 2jwy s ASN 122 Ca 0.10 -1.09 -0.02 0.00 -1.57 0.00 0.00 52.86 50.28 2jwy s ASN 122 Cb -0.25 -2.05 -0.05 0.00 -0.02 0.00 0.00 41.25 38.89 2jwy s ASN 122 CO 0.06 -0.44 0.37 0.00 -2.57 0.00 0.00 177.10 174.52 2jwy s ALA 123 N 1.56 3.84 1.15 0.60 0.00 -0.11 -4.99 121.76 123.80 2jwy s ALA 123 Ca 0.03 -0.74 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 2jwy s ALA 123 Cb -0.20 -2.02 0.28 0.00 0.00 0.00 0.00 23.12 21.17 2jwy s ALA 123 CO 0.06 0.56 1.21 -1.25 0.00 0.00 0.00 175.76 176.34 2jwy s PRO 124 N -3.02 -0.82 -0.53 0.00 0.04 -1.26 -2.75 135.00 126.66 2jwy s PRO 124 Ca 0.39 -0.33 -0.28 0.00 0.04 0.00 0.00 61.00 60.82 2jwy s PRO 124 Cb -0.12 -1.67 0.03 0.00 0.04 0.00 0.00 34.50 32.79 2jwy s PRO 124 CO 0.27 -3.40 1.13 0.00 0.04 0.00 0.00 177.00 175.05 2jwy s ALA 125 N -3.39 3.09 -0.83 8.56 0.00 -1.26 -3.86 121.76 124.08 2jwy s ALA 125 Ca 0.74 -0.70 -0.25 0.00 0.00 0.00 0.00 51.96 51.74 2jwy s ALA 125 Cb -0.05 -3.92 0.04 0.00 0.00 0.00 0.00 23.12 19.18 2jwy s ALA 125 CO 0.55 -2.42 1.31 -1.12 0.00 0.00 0.00 175.76 174.07 2jwy s SER 126 N 2.68 6.28 0.00 0.00 0.01 0.61 -4.83 113.70 118.44 2jwy s SER 126 Ca 0.44 -0.83 0.12 0.00 1.31 0.00 0.00 55.95 56.98 2jwy s SER 126 Cb -0.08 -2.55 0.45 0.00 0.21 0.00 0.00 66.02 64.05 2jwy s SER 126 CO 0.28 -1.69 1.33 0.52 0.41 0.00 0.00 173.24 174.09 2jwy n VAL 127 N 6.48 0.27 -4.12 3.43 0.31 -1.26 -2.85 118.33 120.59 2jwy n VAL 127 Ca 0.12 -0.30 -0.32 0.00 -0.01 0.00 0.00 64.34 63.83 2jwy n VAL 127 Cb 0.49 0.17 -0.07 0.00 -0.91 0.00 0.00 33.84 33.52 2jwy n VAL 127 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2jwy s LEU 128 N -1.20 3.78 -0.07 7.52 2.34 -1.26 -4.96 118.68 124.83 2jwy s LEU 128 Ca 0.22 0.06 0.01 0.00 0.06 0.00 0.00 54.13 54.48 2jwy s LEU 128 Cb 0.11 -2.30 0.02 0.00 -0.56 0.00 0.00 46.19 43.46 2jwy s LEU 128 CO 0.16 0.24 -0.09 0.00 -1.06 0.00 0.00 176.35 175.60 2jwy s ALA 129 N -1.24 1.12 0.67 1.48 0.00 -1.26 -3.01 121.76 119.51 2jwy s ALA 129 Ca 0.25 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 2jwy s ALA 129 Cb -0.12 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.39 2jwy s ALA 129 CO 0.16 -0.05 1.12 -1.25 0.00 0.00 0.00 175.76 175.74 2jwy s PRO 130 N 0.99 2.73 -0.23 0.00 0.04 -1.26 -5.04 135.00 132.23 2jwy s PRO 130 Ca -0.09 1.41 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 2jwy s PRO 130 Cb -0.15 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2jwy s PRO 130 CO -0.00 -1.31 0.67 0.45 0.04 0.00 0.00 177.00 176.84 2jwy s SER 131 N -2.57 6.66 -0.02 6.66 0.15 -1.17 -4.97 113.70 118.44 2jwy s SER 131 Ca 0.67 0.81 0.00 0.00 0.70 0.00 0.00 55.95 58.14 2jwy s SER 131 Cb -0.21 -2.36 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 2jwy s SER 131 CO 0.42 -0.36 0.01 1.51 1.20 0.00 0.00 173.24 176.02 2jwy s ASP 132 N 1.35 0.25 0.05 5.45 1.47 -1.26 -0.11 116.67 123.87 2jwy s ASP 132 Ca 0.29 0.00 0.04 0.00 1.18 0.00 0.00 52.55 54.05 2jwy s ASP 132 Cb -0.16 -0.14 -0.03 0.00 -0.34 0.00 0.00 42.92 42.26 2jwy s ASP 132 CO 0.09 -0.10 -0.11 -0.69 0.68 0.00 0.00 175.17 175.04 2jwy s VAL 133 N 0.96 0.82 -0.07 2.11 1.01 0.09 -5.00 120.40 120.32 2jwy s VAL 133 Ca -0.09 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.73 2jwy s VAL 133 Cb -0.12 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.45 2jwy s VAL 133 CO -0.02 -0.29 -0.05 1.51 0.00 0.00 0.00 175.10 176.25 2jwy s ASP 134 N -1.62 1.48 -0.02 3.32 -4.77 -1.26 0.38 116.67 114.18 2jwy s ASP 134 Ca -0.06 -0.18 0.03 0.00 -3.30 0.00 0.00 52.55 49.05 2jwy s ASP 134 Cb -0.10 -0.59 -0.00 0.00 -1.09 0.00 0.00 42.92 41.14 2jwy s ASP 134 CO 0.01 -0.09 -0.12 0.27 0.70 0.00 0.00 175.17 175.95 2jwy s ILE 135 N 1.29 0.94 -0.07 2.11 -4.36 -0.06 -4.98 121.20 116.07 2jwy s ILE 135 Ca -0.04 -0.48 -0.30 0.00 -0.26 0.00 0.00 60.65 59.57 2jwy s ILE 135 Cb -0.14 -0.81 -0.05 0.00 1.25 0.00 0.00 42.46 42.72 2jwy s ILE 135 CO -0.02 0.28 1.57 -2.16 0.24 0.00 0.00 174.94 174.84 2jwy s PRO 136 N -0.07 4.19 -0.62 0.37 0.04 -1.26 -0.65 135.00 137.00 2jwy s PRO 136 Ca 0.01 2.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 2jwy s PRO 136 Cb -0.07 -3.92 0.15 0.00 0.04 0.00 0.00 34.50 30.70 2jwy s PRO 136 CO 0.00 -0.81 0.60 -1.17 0.04 0.00 0.00 177.00 175.66 2jwy s LEU 137 N 3.86 6.23 -1.13 -3.56 0.20 0.87 -4.90 118.68 120.26 2jwy s LEU 137 Ca 0.69 -1.98 -0.16 0.00 0.69 0.00 0.00 54.13 53.37 2jwy s LEU 137 Cb -0.31 -2.22 0.14 0.00 -0.43 0.00 0.00 46.19 43.37 2jwy s LEU 137 CO 0.26 -0.82 1.39 -1.58 -0.29 0.00 0.00 176.35 175.32 2jwy s GLN 138 N 1.37 3.92 0.51 1.98 0.74 -1.26 -1.88 119.66 125.04 2jwy s GLN 138 Ca 0.08 -2.20 -0.23 0.00 0.05 0.00 0.00 55.36 53.06 2jwy s GLN 138 Cb -0.24 -5.10 -0.06 0.00 1.10 0.00 0.00 33.01 28.71 2jwy s GLN 138 CO 0.00 -1.86 1.32 -0.51 -0.55 0.00 0.00 175.29 173.70 2jwy s LEU 139 N 2.41 3.94 0.08 3.68 1.43 0.14 -4.84 118.68 125.52 2jwy s LEU 139 Ca 0.42 2.68 0.08 0.00 -1.03 0.00 0.00 54.13 56.28 2jwy s LEU 139 Cb -0.02 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.96 2jwy s LEU 139 CO -0.02 -1.35 -0.19 -0.54 0.23 0.00 0.00 176.35 174.48 2jwy s LYS 140 N -2.77 1.87 0.00 1.70 -0.14 -1.26 -0.44 119.74 118.70 2jwy s LYS 140 Ca 0.68 -1.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.18 2jwy s LYS 140 Cb -0.38 -2.12 0.00 0.00 -1.68 0.00 0.00 37.83 33.65 2jwy s LYS 140 CO 0.46 0.50 0.00 0.41 -0.76 0.00 0.00 175.35 175.97 2jwy n GLY 141 N 1.19 1.51 3.79 -3.33 0.00 -1.17 -4.78 105.19 102.40 2jwy n GLY 141 Ca -0.16 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.00 4.69 0.19 -0.61 2.07 -1.26 -4.74 121.20 121.54 2jwy s ILE 142 Ca 0.00 1.37 -0.08 0.00 -1.41 0.00 0.00 60.65 60.53 2jwy s ILE 142 Cb 0.00 -3.98 -0.07 0.00 0.13 0.00 0.00 42.46 38.55 2jwy s ILE 142 CO 0.00 0.50 0.48 -0.44 -1.91 0.00 0.00 174.94 173.57 2jwy s SER 143 N -0.84 6.58 0.26 4.50 0.01 -1.26 -2.99 113.70 119.97 2jwy s SER 143 Ca 0.32 0.79 -0.02 0.00 1.31 0.00 0.00 55.95 58.35 2jwy s SER 143 Cb -0.20 -2.17 0.50 0.00 0.21 0.00 0.00 66.02 64.36 2jwy s SER 143 CO 0.21 -0.01 1.78 1.62 0.41 0.00 0.00 173.24 177.25 2jwy h VAL 144 N 2.07 0.80 0.00 3.43 3.04 -1.91 0.21 116.25 123.89 2jwy h VAL 144 Ca -0.47 -0.24 -0.03 0.00 -1.01 0.00 0.00 66.70 64.95 2jwy h VAL 144 Cb 1.17 0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.47 2jwy h VAL 144 CO 0.70 0.13 -0.14 -0.78 -1.01 0.00 0.00 177.57 176.47 2jwy h ASP 145 N 0.71 0.00 -0.50 3.17 3.58 -1.98 -2.81 116.42 118.58 2jwy h ASP 145 Ca 0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.90 2jwy h ASP 145 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2jwy h ASP 145 CO -0.32 0.14 0.00 0.00 -2.88 0.00 0.00 179.24 176.18 2jwy n GLN 146 N -3.45 2.56 -2.33 0.28 1.13 0.58 -4.97 117.38 111.19 2jwy n GLN 146 Ca -0.01 -2.34 -0.42 0.00 -1.94 0.00 0.00 57.00 52.29 2jwy n GLN 146 Cb 0.31 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 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 -1.15 4.29 -0.18 1.08 1.43 -0.25 -4.74 118.68 119.15 2jwy s LEU 147 Ca 0.38 1.96 -0.16 0.00 -1.03 0.00 0.00 54.13 55.28 2jwy s LEU 147 Cb 0.21 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.81 2jwy s LEU 147 CO 0.28 -0.68 -0.32 0.61 0.23 0.00 0.00 176.35 176.47 2jwy n GLY 148 N 3.56 -0.48 3.09 -3.19 0.00 -0.11 -4.83 105.19 103.24 2jwy n GLY 148 Ca 0.13 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2jwy n GLY 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jwy s PHE 149 N -2.75 -0.05 -0.33 1.61 -0.71 -0.56 -4.26 117.98 110.94 2jwy s PHE 149 Ca -0.29 0.10 0.02 0.00 -1.04 0.00 0.00 56.93 55.73 2jwy s PHE 149 Cb 0.06 -0.00 0.10 0.00 -1.21 0.00 0.00 43.02 41.97 2jwy s PHE 149 CO 0.41 -0.22 0.07 0.08 -1.34 0.00 0.00 175.22 174.21 2jwy s VAL 150 N -0.85 1.74 -0.35 -2.49 1.01 0.03 -1.59 120.40 117.91 2jwy s VAL 150 Ca -0.09 -1.98 -0.13 0.00 0.00 0.00 0.00 61.98 59.78 2jwy s VAL 150 Cb -0.05 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 2jwy s VAL 150 CO 0.01 -0.62 0.24 -0.60 0.00 0.00 0.00 175.10 174.13 2jwy s ARG 151 N 1.18 3.39 -0.16 2.72 3.52 0.16 -0.35 118.95 129.40 2jwy s ARG 151 Ca 0.10 -0.72 -0.26 0.00 -0.13 0.00 0.00 55.73 54.72 2jwy s ARG 151 Cb -0.18 -3.81 -0.01 0.00 -1.56 0.00 0.00 34.95 29.39 2jwy s ARG 151 CO -0.14 -0.49 0.87 0.42 -0.81 0.00 0.00 175.30 175.14 2jwy s ILE 152 N 1.70 4.85 0.36 4.11 -1.09 -0.37 -0.57 121.20 130.19 2jwy s ILE 152 Ca 0.06 1.72 -0.08 0.00 -2.23 0.00 0.00 60.65 60.11 2jwy s ILE 152 Cb -0.18 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.55 2jwy s ILE 152 CO 0.10 0.01 0.60 -1.38 -1.23 0.00 0.00 174.94 173.04 2jwy s HIS 153 N 2.21 0.68 -0.65 3.97 -3.43 -0.90 -0.80 115.29 116.37 2jwy s HIS 153 Ca 0.40 -1.08 -0.08 0.00 -0.80 0.00 0.00 55.06 53.49 2jwy s HIS 153 Cb -0.17 0.29 0.01 0.00 -1.43 0.00 0.00 32.58 31.28 2jwy s HIS 153 CO 0.13 -1.31 0.65 -3.47 -2.00 0.00 0.00 174.74 168.74 2jwy n ASP 154 N -1.39 -7.09 -4.42 7.38 2.03 -1.26 -1.29 116.55 110.51 2jwy n ASP 154 Ca -0.03 -0.08 -0.38 0.00 0.52 0.00 0.00 54.79 54.82 2jwy n ASP 154 Cb 0.61 -4.32 -0.12 0.00 -0.72 0.00 0.00 41.12 36.57 2jwy n ASP 154 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jwy s ILE 155 N -2.74 4.47 -0.01 5.18 -1.09 -1.26 -1.98 121.20 123.77 2jwy s ILE 155 Ca 0.10 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 58.06 2jwy s ILE 155 Cb -0.02 -3.29 -0.01 0.00 -1.58 0.00 0.00 42.46 37.56 2jwy s ILE 155 CO 0.79 0.06 -0.10 0.00 -1.23 0.00 0.00 174.94 174.47 2jwy s GLN 156 N 1.59 0.79 0.44 2.79 -2.07 -0.15 -3.84 119.66 119.20 2jwy s GLN 156 Ca 0.04 -0.35 -0.23 0.00 -1.82 0.00 0.00 55.36 53.00 2jwy s GLN 156 Cb -0.17 -0.76 -0.08 0.00 -1.09 0.00 0.00 33.01 30.91 2jwy s GLN 156 CO 0.05 0.21 1.09 -1.25 -1.32 0.00 0.00 175.29 174.08 2jwy s PRO 157 N -0.24 3.94 -0.10 9.60 0.04 -1.26 -0.56 135.00 146.42 2jwy s PRO 157 Ca 0.04 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 2jwy s PRO 157 Cb -0.04 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 2jwy s PRO 157 CO -0.00 -0.36 -0.06 0.14 0.04 0.00 0.00 177.00 176.75 2jwy s VAL 158 N -1.66 3.70 -0.01 -0.36 -7.23 -0.71 -4.78 120.40 109.35 2jwy s VAL 158 Ca 0.62 -0.46 -0.00 0.00 -1.81 0.00 0.00 61.98 60.33 2jwy s VAL 158 Cb -0.24 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2jwy s VAL 158 CO 0.29 0.56 0.00 1.15 -0.31 0.00 0.00 175.10 176.79 2jwy n MET 159 N 2.80 -2.74 -4.15 4.82 0.00 -1.26 -4.85 117.12 111.73 2jwy n MET 159 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.21 2jwy n MET 159 Cb 0.53 -3.95 -0.08 0.00 0.00 0.00 0.00 33.22 29.72 2jwy n MET 159 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 2jwy s GLN 160 N -4.40 2.77 0.39 3.17 -2.07 -1.26 -5.11 119.66 113.16 2jwy s GLN 160 Ca 0.00 -0.69 -0.21 0.00 -1.82 0.00 0.00 55.36 52.64 2jwy s GLN 160 Cb -0.00 -2.67 -0.10 0.00 -1.09 0.00 0.00 33.01 29.15 2jwy s GLN 160 CO 0.01 0.58 0.92 -0.48 -1.32 0.00 0.00 175.29 175.00 2jwy s LEU 161 N -2.03 4.04 0.54 2.60 2.34 -1.26 -5.09 118.68 119.82 2jwy s LEU 161 Ca 0.24 1.67 0.05 0.00 0.06 0.00 0.00 54.13 56.15 2jwy s LEU 161 Cb -0.12 -4.36 0.05 0.00 -0.56 0.00 0.00 46.19 41.20 2jwy s LEU 161 CO 0.16 -0.27 0.74 -1.83 -1.06 0.00 0.00 176.35 174.09 2jwy s GLU 162 N -2.90 2.46 -0.21 1.48 -1.05 -1.26 -5.11 118.70 112.10 2jwy s GLU 162 Ca 0.58 -1.16 -0.06 0.00 -0.15 0.00 0.00 54.97 54.18 2jwy s GLU 162 Cb -0.11 -2.59 -0.03 0.00 -0.44 0.00 0.00 34.13 30.96 2jwy s GLU 162 CO 0.16 -0.71 0.04 -1.01 0.95 0.00 0.00 175.26 174.68 2jwy s HIS 163 N -2.66 3.09 -0.25 4.83 3.76 -1.26 -5.05 115.29 117.74 2jwy s HIS 163 Ca 0.59 -0.35 -0.33 0.00 -0.15 0.00 0.00 55.06 54.82 2jwy s HIS 163 Cb -0.09 -2.14 -0.10 0.00 1.11 0.00 0.00 32.58 31.37 2jwy s HIS 163 CO 0.38 -0.21 2.12 0.72 -0.85 0.00 0.00 174.74 176.89 2jwy n HIS 164 N 4.36 1.88 -1.89 1.40 -0.00 -1.26 -4.82 115.22 114.89 2jwy n HIS 164 Ca -0.17 0.11 -0.37 0.00 -0.00 0.00 0.00 57.72 57.29 2jwy n HIS 164 Cb 0.52 -2.61 -0.04 0.00 -0.00 0.00 0.00 29.99 27.85 2jwy n HIS 164 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jwy n HIS 165 N 9.54 2.98 -2.28 4.41 -0.00 -1.26 -4.89 115.22 123.73 2jwy n HIS 165 Ca 0.34 -2.00 -0.33 0.00 -0.00 0.00 0.00 57.72 55.72 2jwy n HIS 165 Cb 0.30 -2.37 -0.04 0.00 -0.00 0.00 0.00 29.99 27.88 2jwy n HIS 165 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jwy s HIS 166 N 7.15 2.15 -0.12 1.57 2.46 -1.26 -4.68 115.29 122.56 2jwy s HIS 166 Ca 0.60 -0.08 0.19 0.00 0.47 0.00 0.00 55.06 56.25 2jwy s HIS 166 Cb 0.06 -4.33 -0.25 0.00 -0.13 0.00 0.00 32.58 27.93 2jwy s HIS 166 CO 0.10 -1.78 0.44 1.58 -2.47 0.00 0.00 174.74 172.60 2jwy n HIS 167 N 11.73 0.26 0.29 3.88 -0.00 -1.26 -5.33 115.22 124.79 2jwy n HIS 167 Ca 0.38 0.08 0.03 0.00 -0.00 0.00 0.00 57.72 58.22 2jwy n HIS 167 Cb 0.48 -0.82 0.03 0.00 -0.00 0.00 0.00 29.99 29.68 2jwy n HIS 167 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06