#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 2.10 -0.26 1.12 -7.23 -1.26 -5.13 120.40 109.74 2jwy s VAL 2 Ca 0.00 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 2jwy s VAL 2 Cb 0.00 -2.59 0.13 0.00 0.56 0.00 0.00 36.38 34.47 2jwy s VAL 2 CO 0.00 0.00 0.30 -1.58 -0.31 0.00 0.00 175.10 173.51 2jwy s GLN 3 N -4.15 0.30 -0.48 4.82 2.00 -1.26 -5.11 119.66 115.78 2jwy s GLN 3 Ca 0.40 0.10 -0.10 0.00 -2.00 0.00 0.00 55.36 53.75 2jwy s GLN 3 Cb -0.01 -0.73 0.12 0.00 0.80 0.00 0.00 33.01 33.19 2jwy s GLN 3 CO 0.23 -0.86 0.36 -0.65 -0.50 0.00 0.00 175.29 173.88 2jwy s GLN 4 N 2.40 2.58 -0.78 1.67 -0.21 -1.26 -5.03 119.66 119.03 2jwy s GLN 4 Ca 0.09 -1.72 -0.19 0.00 0.02 0.00 0.00 55.36 53.56 2jwy s GLN 4 Cb -0.15 -3.98 0.12 0.00 1.00 0.00 0.00 33.01 30.00 2jwy s GLN 4 CO -0.24 -1.19 0.97 -1.12 -2.12 0.00 0.00 175.29 171.59 2jwy s SER 5 N 2.78 6.43 -0.01 5.90 0.01 -1.26 -5.01 113.70 122.54 2jwy s SER 5 Ca 0.05 -1.70 0.01 0.00 1.31 0.00 0.00 55.95 55.62 2jwy s SER 5 Cb -0.27 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2jwy s SER 5 CO 0.00 -1.14 -0.04 -1.61 0.41 0.00 0.00 173.24 170.86 2jwy s GLU 6 N 2.85 0.45 0.00 12.44 2.02 -1.26 -5.15 118.70 130.05 2jwy s GLU 6 Ca 0.25 -0.15 0.01 0.00 0.02 0.00 0.00 54.97 55.10 2jwy s GLU 6 Cb -0.12 -0.45 -0.00 0.00 0.10 0.00 0.00 34.13 33.65 2jwy s GLU 6 CO -0.01 0.06 -0.03 0.08 0.02 0.00 0.00 175.26 175.38 2jwy s VAL 7 N 0.11 0.21 -0.01 2.63 1.01 -1.26 -5.16 120.40 117.92 2jwy s VAL 7 Ca -0.01 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.87 2jwy s VAL 7 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 2jwy s VAL 7 CO -0.00 0.02 -0.22 0.00 0.00 0.00 0.00 175.10 174.90 2jwy s ARG 8 N -0.16 2.17 -0.25 2.72 3.03 -1.26 -5.12 118.95 120.07 2jwy s ARG 8 Ca -0.00 -0.90 -0.10 0.00 2.03 0.00 0.00 55.73 56.77 2jwy s ARG 8 Cb -0.02 -2.14 -0.04 0.00 -1.03 0.00 0.00 34.95 31.72 2jwy s ARG 8 CO -0.00 0.57 0.14 -0.65 -1.13 0.00 0.00 175.30 174.23 2jwy s GLN 9 N -0.83 3.90 -0.38 3.89 -1.52 -1.26 -5.07 119.66 118.39 2jwy s GLN 9 Ca 0.11 -0.35 -0.14 0.00 -1.95 0.00 0.00 55.36 53.02 2jwy s GLN 9 Cb -0.10 -3.51 0.00 0.00 -0.22 0.00 0.00 33.01 29.19 2jwy s GLN 9 CO 0.01 -0.09 0.29 -1.64 -0.25 0.00 0.00 175.29 173.60 2jwy s MET 10 N 1.46 3.23 -0.26 2.91 -1.94 -1.26 -5.05 119.30 118.38 2jwy s MET 10 Ca 0.07 -0.82 -0.11 0.00 -1.71 0.00 0.00 55.69 53.12 2jwy s MET 10 Cb -0.15 -3.90 0.10 0.00 2.01 0.00 0.00 34.83 32.89 2jwy s MET 10 CO 0.07 -0.62 0.60 0.21 -0.01 0.00 0.00 175.02 175.27 2jwy s LYS 11 N 1.75 0.56 -0.31 2.03 2.47 -1.26 -5.11 119.74 119.87 2jwy s LYS 11 Ca 0.06 1.25 -0.01 0.00 -1.56 0.00 0.00 55.97 55.71 2jwy s LYS 11 Cb -0.18 0.46 0.19 0.00 -1.46 0.00 0.00 37.83 36.84 2jwy s LYS 11 CO 0.11 -0.19 0.78 -1.58 0.16 0.00 0.00 175.35 174.63 2jwy s HIS 12 N 2.28 -1.28 -0.21 4.03 2.46 -1.26 -5.15 115.29 116.16 2jwy s HIS 12 Ca -0.07 0.65 -0.01 0.00 0.47 0.00 0.00 55.06 56.10 2jwy s HIS 12 Cb -0.09 0.22 0.01 0.00 -0.13 0.00 0.00 32.58 32.59 2jwy s HIS 12 CO -0.18 -0.77 -0.11 -1.54 -2.47 0.00 0.00 174.74 169.67 2jwy s SER 13 N 2.71 3.82 -0.05 9.88 1.04 -1.26 -5.10 113.70 124.74 2jwy s SER 13 Ca 0.17 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.99 2jwy s SER 13 Cb -0.06 -1.61 0.01 0.00 0.10 0.00 0.00 66.02 64.47 2jwy s SER 13 CO -0.22 -0.04 -0.10 0.54 0.98 0.00 0.00 173.24 174.40 2jwy s VAL 14 N 1.36 0.93 -0.29 5.02 0.11 -1.26 -5.12 120.40 121.14 2jwy s VAL 14 Ca 0.04 -0.39 -0.01 0.00 -2.93 0.00 0.00 61.98 58.69 2jwy s VAL 14 Cb -0.14 -0.85 0.09 0.00 -1.53 0.00 0.00 36.38 33.95 2jwy s VAL 14 CO -0.08 0.30 0.08 -0.94 -3.33 0.00 0.00 175.10 171.13 2jwy s SER 15 N 0.51 3.93 -0.41 3.54 1.04 -1.26 -5.10 113.70 115.96 2jwy s SER 15 Ca -0.10 -1.54 -0.17 0.00 0.48 0.00 0.00 55.95 54.63 2jwy s SER 15 Cb -0.13 -0.89 0.02 0.00 0.10 0.00 0.00 66.02 65.12 2jwy s SER 15 CO 0.02 -0.39 0.40 0.42 0.98 0.00 0.00 173.24 174.67 2jwy s THR 16 N 1.60 5.13 -0.35 2.02 -4.23 -1.26 -5.04 115.64 113.51 2jwy s THR 16 Ca 0.08 -0.35 -0.29 0.00 -1.18 0.00 0.00 61.69 59.95 2jwy s THR 16 Cb -0.17 -3.99 0.01 0.00 1.34 0.00 0.00 72.50 69.69 2jwy s THR 16 CO -0.22 -0.35 1.27 -0.76 -0.54 0.00 0.00 174.62 174.02 2jwy s LEU 17 N 2.03 3.79 0.27 4.79 2.01 -1.26 -5.00 118.68 125.32 2jwy s LEU 17 Ca 0.11 1.00 -0.28 0.00 0.01 0.00 0.00 54.13 54.97 2jwy s LEU 17 Cb -0.17 -3.54 -0.09 0.00 0.01 0.00 0.00 46.19 42.39 2jwy s LEU 17 CO 0.13 -1.15 0.93 0.54 1.01 0.00 0.00 176.35 177.81 2jwy s ASN 18 N 2.82 7.49 0.00 2.29 4.22 -1.26 -5.08 114.94 125.42 2jwy s ASN 18 Ca 0.55 1.88 0.00 0.00 -2.14 0.00 0.00 52.86 53.14 2jwy s ASN 18 Cb -0.14 -2.59 0.00 0.00 1.28 0.00 0.00 41.25 39.80 2jwy s ASN 18 CO 0.25 0.06 0.00 0.00 -2.04 0.00 0.00 177.10 175.37 2jwy n GLN 19 N 1.07 2.74 -2.74 3.55 3.00 -1.26 -5.07 117.38 118.66 2jwy n GLN 19 Ca -0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.64 2jwy n GLN 19 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.66 2jwy n GLN 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2jwy s GLU 20 N 1.50 4.24 0.37 -1.09 -1.05 -1.26 -5.09 118.70 116.32 2jwy s GLU 20 Ca 0.00 1.24 0.03 0.00 -0.15 0.00 0.00 54.97 56.09 2jwy s GLU 20 Cb 0.00 -2.34 -0.04 0.00 -0.44 0.00 0.00 34.13 31.31 2jwy s GLU 20 CO 0.00 -0.03 0.10 -1.64 0.95 0.00 0.00 175.26 174.64 2jwy s MET 21 N -2.88 1.79 0.49 -4.83 -1.94 -1.26 -5.16 119.30 105.51 2jwy s MET 21 Ca 0.60 -2.06 -0.09 0.00 -1.71 0.00 0.00 55.69 52.43 2jwy s MET 21 Cb -0.13 -0.67 -0.05 0.00 2.01 0.00 0.00 34.83 35.99 2jwy s MET 21 CO 0.18 -0.37 0.85 0.95 -0.01 0.00 0.00 175.02 176.62 2jwy s THR 22 N -3.29 4.80 -1.09 2.05 -4.23 -1.26 -4.99 115.64 107.63 2jwy s THR 22 Ca 0.29 0.55 -0.22 0.00 -1.18 0.00 0.00 61.69 61.13 2jwy s THR 22 Cb 0.05 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 70.11 2jwy s THR 22 CO 0.15 -0.79 1.63 0.00 -0.54 0.00 0.00 174.62 175.06 2jwy s GLN 23 N -4.49 3.48 -0.12 3.99 -2.07 -1.26 -4.96 119.66 114.23 2jwy s GLN 23 Ca 0.51 -1.25 0.00 0.00 -1.82 0.00 0.00 55.36 52.80 2jwy s GLN 23 Cb -0.10 -5.36 -0.02 0.00 -1.09 0.00 0.00 33.01 26.44 2jwy s GLN 23 CO 0.41 -2.51 -0.12 -1.17 -1.32 0.00 0.00 175.29 170.58 2jwy s LEU 24 N 5.90 2.78 0.00 2.60 2.96 -1.26 -4.94 118.68 126.73 2jwy s LEU 24 Ca 0.53 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 2jwy s LEU 24 Cb 0.00 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.07 2jwy s LEU 24 CO -0.02 0.20 0.01 0.59 -1.32 0.00 0.00 176.35 175.81 2jwy n ASN 25 N 3.32 -5.64 -0.19 3.68 3.02 -1.26 -3.83 115.26 114.36 2jwy n ASN 25 Ca -0.18 1.51 0.29 0.00 -0.03 0.00 0.00 54.58 56.18 2jwy n ASN 25 Cb 0.53 -3.80 0.73 0.00 -0.61 0.00 0.00 39.78 36.62 2jwy n ASN 25 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2jwy h GLN 26 N 4.23 0.00 0.77 3.52 7.50 -1.98 0.27 115.11 129.42 2jwy h GLN 26 Ca -0.03 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.08 2jwy h GLN 26 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.61 2jwy h GLN 26 CO 0.00 0.00 -0.43 1.49 -1.50 0.00 0.00 178.83 178.39 2jwy h GLU 27 N 0.00 -1.07 -0.36 1.46 4.81 -1.86 -0.66 114.58 116.90 2jwy h GLU 27 Ca 0.44 0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.76 2jwy h GLU 27 Cb 1.82 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 31.42 2jwy h GLU 27 CO -0.00 -0.71 0.24 1.15 -0.73 0.00 0.00 179.01 178.95 2jwy h THR 28 N -1.11 1.06 -0.39 0.32 2.02 -0.78 0.55 112.91 114.58 2jwy h THR 28 Ca -0.10 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2jwy h THR 28 Cb 0.88 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2jwy h THR 28 CO 0.13 0.08 0.23 0.58 0.37 0.00 0.00 175.52 176.92 2jwy h VAL 29 N 0.44 1.13 -0.41 3.16 2.07 -0.71 0.56 116.25 122.49 2jwy h VAL 29 Ca 0.14 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 2jwy h VAL 29 Cb 0.02 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2jwy h VAL 29 CO -0.03 0.13 -0.06 0.11 0.02 0.00 0.00 177.57 177.74 2jwy h LYS 30 N 0.51 0.69 -0.12 1.57 6.56 0.12 -0.16 116.57 125.74 2jwy h LYS 30 Ca 0.14 -0.19 -0.00 0.00 -1.06 0.00 0.00 60.65 59.53 2jwy h LYS 30 Cb 0.01 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.59 2jwy h LYS 30 CO -0.03 0.74 0.06 0.82 -2.06 0.00 0.00 179.45 178.99 2jwy h ILE 31 N 0.64 1.11 -0.79 1.86 2.04 -0.61 0.15 117.51 121.91 2jwy h ILE 31 Ca 0.12 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.70 2jwy h ILE 31 Cb 0.48 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 2jwy h ILE 31 CO 0.03 0.10 0.50 0.74 0.00 0.00 0.00 178.15 179.52 2jwy h THR 32 N 0.09 1.11 -0.16 -0.27 2.02 -0.72 -1.38 112.91 113.59 2jwy h THR 32 Ca 0.04 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 66.92 2jwy h THR 32 Cb 0.10 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 2jwy h THR 32 CO -0.01 0.18 -0.05 -0.61 0.37 0.00 0.00 175.52 175.40 2jwy h GLN 33 N 0.97 -0.02 -0.29 6.66 4.15 -0.73 -1.65 115.11 124.21 2jwy h GLN 33 Ca 0.32 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.79 2jwy h GLN 33 Cb 0.03 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 2jwy h GLN 33 CO -0.12 -0.01 0.03 0.37 -1.93 0.00 0.00 178.83 177.17 2jwy h GLN 34 N -0.02 0.13 -0.29 1.69 4.15 -0.15 -0.37 115.11 120.24 2jwy h GLN 34 Ca 0.08 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 2jwy h GLN 34 Cb 0.15 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 2jwy h GLN 34 CO -0.18 0.08 0.16 -0.91 -1.93 0.00 0.00 178.83 176.05 2jwy h ASN 35 N 0.13 0.35 -0.35 -0.69 2.35 -1.14 -0.44 115.58 115.80 2jwy h ASN 35 Ca 0.13 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 2jwy h ASN 35 Cb 0.16 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2jwy h ASN 35 CO -0.20 0.33 -0.02 0.03 -1.65 0.00 0.00 177.43 175.92 2jwy h ARG 36 N 0.35 0.73 -0.55 0.81 3.08 -1.04 0.97 114.38 118.73 2jwy h ARG 36 Ca 0.10 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 2jwy h ARG 36 Cb 0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2jwy h ARG 36 CO -0.02 0.76 0.02 -0.07 -1.07 0.00 0.00 179.97 179.59 2jwy h LEU 37 N 0.68 0.89 -1.19 3.04 3.38 -0.89 -2.50 115.31 118.72 2jwy h LEU 37 Ca 0.13 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2jwy h LEU 37 Cb 0.45 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2jwy h LEU 37 CO 0.02 0.94 -0.16 -1.13 0.09 0.00 0.00 178.44 178.20 2jwy h ASN 38 N 0.86 0.35 -0.69 -0.43 -0.73 -0.38 -0.14 115.58 114.43 2jwy h ASN 38 Ca 0.16 -0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 2jwy h ASN 38 Cb 0.48 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.95 2jwy h ASN 38 CO 0.02 0.54 0.38 0.00 -0.37 0.00 0.00 177.43 178.00 2jwy h ALA 39 N 1.50 0.88 0.00 1.57 0.00 -0.41 -2.16 119.26 120.64 2jwy h ALA 39 Ca 0.06 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2jwy h ALA 39 Cb 0.49 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2jwy h ALA 39 CO 0.03 0.39 -0.44 0.87 0.00 0.00 0.00 179.25 180.11 2jwy h LYS 40 N 0.94 0.00 -6.41 0.00 1.57 -1.23 -3.45 116.57 107.99 2jwy h LYS 40 Ca 0.24 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.48 2jwy h LYS 40 Cb 0.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.35 2jwy h LYS 40 CO -0.04 0.44 0.84 0.45 -0.57 0.00 0.00 179.45 180.57 2jwy s SER 41 N -6.45 6.81 0.00 0.86 0.15 -0.09 -4.90 113.70 110.09 2jwy s SER 41 Ca 0.01 2.20 0.02 0.00 0.70 0.00 0.00 55.95 58.89 2jwy s SER 41 Cb 0.10 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.91 2jwy s SER 41 CO 0.71 -0.74 1.02 -1.54 1.20 0.00 0.00 173.24 173.90 2jwy n SER 42 N 5.21 2.14 -1.62 5.45 3.41 -1.26 -4.75 113.62 122.20 2jwy n SER 42 Ca 0.13 -1.94 0.02 0.00 -0.26 0.00 0.00 58.87 56.82 2jwy n SER 42 Cb 0.43 -0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.39 2jwy n SER 42 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jwy n SER 43 N -0.25 1.42 0.00 4.04 7.64 -1.26 -5.12 113.62 120.08 2jwy n SER 43 Ca 0.02 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.50 2jwy n SER 43 Cb 0.27 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2jwy n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jwy n GLY 44 N -0.03 0.89 3.40 0.23 0.00 -1.26 -4.59 105.19 103.83 2jwy n GLY 44 Ca 0.10 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.09 2.79 -0.57 1.61 -7.23 -0.97 -4.89 120.40 109.05 2jwy s VAL 45 Ca 0.00 -0.80 -0.22 0.00 -1.81 0.00 0.00 61.98 59.15 2jwy s VAL 45 Cb 0.00 -2.10 0.06 0.00 0.56 0.00 0.00 36.38 34.90 2jwy s VAL 45 CO 0.00 0.57 0.84 -0.31 -0.31 0.00 0.00 175.10 175.89 2jwy s TYR 46 N -0.32 2.85 -0.60 2.82 2.02 -1.26 -0.82 117.35 122.04 2jwy s TYR 46 Ca 0.02 -0.37 -0.22 0.00 -0.37 0.00 0.00 57.07 56.14 2jwy s TYR 46 Cb -0.13 -3.97 0.07 0.00 -0.40 0.00 0.00 41.96 37.53 2jwy s TYR 46 CO 0.02 -1.33 0.85 -0.51 -1.57 0.00 0.00 175.55 173.01 2jwy s LEU 47 N 3.50 4.63 -0.26 -1.29 1.43 0.51 -4.85 118.68 122.34 2jwy s LEU 47 Ca 0.22 -0.94 -0.27 0.00 -1.03 0.00 0.00 54.13 52.12 2jwy s LEU 47 Cb -0.16 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.58 2jwy s LEU 47 CO 0.14 -1.24 0.93 -0.76 0.23 0.00 0.00 176.35 175.65 2jwy s LEU 48 N 3.52 4.07 0.60 1.79 1.02 -1.26 -0.17 118.68 128.24 2jwy s LEU 48 Ca 0.20 1.11 0.37 0.00 0.02 0.00 0.00 54.13 55.83 2jwy s LEU 48 Cb -0.18 -3.35 2.01 0.00 0.02 0.00 0.00 46.19 44.69 2jwy s LEU 48 CO 0.11 -0.64 2.13 1.55 0.02 0.00 0.00 176.35 179.52 2jwy h PRO 49 N 7.72 0.00 -0.00 1.29 0.13 -1.90 0.11 132.00 139.35 2jwy h PRO 49 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2jwy h PRO 49 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jwy h PRO 49 CO 0.94 0.00 -0.47 0.41 -0.23 0.00 0.00 178.00 178.64 2jwy n GLY 50 N -1.15 -1.04 3.18 1.56 0.00 -1.26 -4.67 105.19 101.80 2jwy n GLY 50 Ca -0.02 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.86 3.82 -1.03 4.61 0.00 0.37 -4.77 121.76 121.89 2jwy s ALA 51 Ca 0.14 -3.34 -0.25 0.00 0.00 0.00 0.00 51.96 48.51 2jwy s ALA 51 Cb 0.18 -2.98 -0.14 0.00 0.00 0.00 0.00 23.12 20.17 2jwy s ALA 51 CO 0.66 -2.18 2.10 0.21 0.00 0.00 0.00 175.76 176.56 2jwy s LYS 52 N -0.11 1.82 0.02 0.00 2.36 -1.26 -4.69 119.74 117.87 2jwy s LYS 52 Ca 0.18 -0.43 -0.26 0.00 -2.55 0.00 0.00 55.97 52.91 2jwy s LYS 52 Cb -0.16 -5.03 0.06 0.00 -1.05 0.00 0.00 37.83 31.66 2jwy s LYS 52 CO -0.06 -4.58 0.61 0.95 1.55 0.00 0.00 175.35 173.82 2jwy s THR 53 N 13.95 0.01 0.21 3.43 -4.23 -1.26 -5.07 115.64 122.68 2jwy s THR 53 Ca 0.78 -0.09 -0.16 0.00 -1.18 0.00 0.00 61.69 61.05 2jwy s THR 53 Cb -0.06 -0.98 -0.08 0.00 1.34 0.00 0.00 72.50 72.73 2jwy s THR 53 CO 0.12 -0.05 0.64 -2.16 -0.54 0.00 0.00 174.62 172.63 2jwy s PRO 54 N -2.07 4.05 -0.04 3.99 0.04 -1.26 -4.64 135.00 135.08 2jwy s PRO 54 Ca -0.07 0.62 0.05 0.00 0.04 0.00 0.00 61.00 61.64 2jwy s PRO 54 Cb -0.01 -2.81 -0.01 0.00 0.04 0.00 0.00 34.50 31.72 2jwy s PRO 54 CO 0.02 0.38 -0.20 0.00 0.04 0.00 0.00 177.00 177.24 2jwy s ALA 55 N -1.60 1.72 -0.12 8.56 0.00 0.01 -4.97 121.76 125.36 2jwy s ALA 55 Ca 0.43 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 2jwy s ALA 55 Cb -0.14 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2jwy s ALA 55 CO 0.20 0.34 0.71 0.50 0.00 0.00 0.00 175.76 177.50 2jwy s ARG 56 N -0.10 4.36 -0.19 0.00 3.52 -1.26 -0.76 118.95 124.52 2jwy s ARG 56 Ca -0.02 0.85 0.01 0.00 -0.13 0.00 0.00 55.73 56.44 2jwy s ARG 56 Cb -0.11 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.80 2jwy s ARG 56 CO 0.02 -0.08 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.08 2jwy s LEU 57 N 1.33 2.25 -0.66 -0.88 2.96 0.63 -4.96 118.68 119.35 2jwy s LEU 57 Ca 0.36 -0.74 -0.23 0.00 -0.22 0.00 0.00 54.13 53.30 2jwy s LEU 57 Cb -0.17 -1.43 0.07 0.00 0.50 0.00 0.00 46.19 45.16 2jwy s LEU 57 CO 0.15 -0.04 0.97 -0.70 -1.32 0.00 0.00 176.35 175.41 2jwy s GLU 58 N 1.30 3.12 0.00 1.98 2.12 -1.26 -1.85 118.70 124.10 2jwy s GLU 58 Ca 0.03 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.55 2jwy s GLU 58 Cb -0.14 -4.22 0.00 0.00 0.26 0.00 0.00 34.13 30.03 2jwy s GLU 58 CO -0.11 -1.82 0.00 -1.13 -0.54 0.00 0.00 175.26 171.66 2jwy n SER 59 N 7.74 0.00 0.16 -1.70 3.41 0.49 -4.96 113.62 118.75 2jwy n SER 59 Ca -0.04 -0.80 0.03 0.00 -0.26 0.00 0.00 58.87 57.81 2jwy n SER 59 Cb 0.45 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.00 0.00 4.33 4.20 -1.95 -3.16 115.11 118.53 2jwy h GLN 60 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2jwy h GLN 60 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2jwy h GLN 60 CO 0.00 0.47 -0.90 -0.84 -0.67 0.00 0.00 178.83 176.89 2jwy h ILE 61 N 0.00 0.62 0.00 2.54 3.07 -1.96 -3.49 117.51 118.30 2jwy h ILE 61 Ca -0.00 -2.00 0.00 0.00 1.55 0.00 0.00 64.86 64.41 2jwy h ILE 61 Cb 1.16 2.18 0.00 0.00 -0.27 0.00 0.00 36.82 39.89 2jwy h ILE 61 CO 0.06 0.35 0.00 0.61 -1.05 0.00 0.00 178.15 178.13 2jwy n GLY 62 N 1.29 0.32 3.67 0.16 0.00 -1.19 -5.02 105.19 104.41 2jwy n GLY 62 Ca -0.03 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.72 5.12 0.32 2.61 2.01 -1.26 -0.38 115.64 121.34 2jwy s THR 63 Ca 0.00 0.94 0.04 0.00 0.31 0.00 0.00 61.69 62.98 2jwy s THR 63 Cb 0.00 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2jwy s THR 63 CO 0.00 0.19 0.17 -1.48 -0.69 0.00 0.00 174.62 172.81 2jwy s LEU 64 N 1.52 1.73 -0.11 4.42 -0.00 -0.77 -3.84 118.68 121.63 2jwy s LEU 64 Ca 0.24 -1.60 -0.01 0.00 -0.00 0.00 0.00 54.13 52.76 2jwy s LEU 64 Cb -0.15 0.20 0.03 0.00 -0.00 0.00 0.00 46.19 46.26 2jwy s LEU 64 CO 0.10 -0.91 -0.05 -0.60 -0.00 0.00 0.00 176.35 174.89 2jwy s ARG 65 N -3.76 1.20 0.18 1.48 3.52 0.53 -0.27 118.95 121.84 2jwy s ARG 65 Ca 0.35 -0.17 0.08 0.00 -0.13 0.00 0.00 55.73 55.85 2jwy s ARG 65 Cb 0.04 -1.45 -0.04 0.00 -1.56 0.00 0.00 34.95 31.94 2jwy s ARG 65 CO 0.18 -0.31 -0.03 -1.64 -0.81 0.00 0.00 175.30 172.69 2jwy s MET 66 N 1.79 2.28 0.26 5.12 -1.94 0.06 0.70 119.30 127.58 2jwy s MET 66 Ca 0.04 -1.18 -0.22 0.00 -1.71 0.00 0.00 55.69 52.62 2jwy s MET 66 Cb -0.13 -2.28 0.03 0.00 2.01 0.00 0.00 34.83 34.46 2jwy s MET 66 CO -0.07 0.44 0.75 0.45 -0.01 0.00 0.00 175.02 176.58 2jwy s SER 67 N -2.96 -0.26 -0.17 3.03 0.15 -0.78 -0.81 113.70 111.90 2jwy s SER 67 Ca 0.27 -0.57 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 2jwy s SER 67 Cb -0.09 0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 64.91 2jwy s SER 67 CO 0.18 -1.28 -0.12 -0.76 1.20 0.00 0.00 173.24 172.46 2jwy s LEU 68 N -2.92 2.64 0.19 3.45 1.43 -1.26 -2.00 118.68 120.22 2jwy s LEU 68 Ca 0.11 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2jwy s LEU 68 Cb -0.05 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2jwy s LEU 68 CO 0.06 0.06 -0.01 0.68 0.23 0.00 0.00 176.35 177.37 2jwy s VAL 69 N 0.95 0.87 -1.63 -1.59 -7.23 -0.87 -4.90 120.40 106.00 2jwy s VAL 69 Ca -0.02 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2jwy s VAL 69 Cb -0.15 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2jwy s VAL 69 CO -0.01 -0.43 0.00 0.59 -0.31 0.00 0.00 175.10 174.94 2jwy n ASN 70 N -0.31 -5.29 -4.57 4.85 3.02 -1.26 -0.27 115.26 111.42 2jwy n ASN 70 Ca -0.06 0.06 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 2jwy n ASN 70 Cb 0.63 -4.37 -0.03 0.00 -0.61 0.00 0.00 39.78 35.41 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 -2.87 3.37 0.03 2.41 1.01 -1.26 -4.39 121.20 119.50 2jwy s ILE 71 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.96 2jwy s ILE 71 Cb 0.00 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 2jwy s ILE 71 CO 0.00 -0.59 -0.04 0.42 0.00 0.00 0.00 174.94 174.73 2jwy s THR 72 N 8.40 0.24 0.94 2.92 -4.23 0.13 -5.01 115.64 119.04 2jwy s THR 72 Ca 0.76 -1.19 -0.12 0.00 -1.18 0.00 0.00 61.69 59.96 2jwy s THR 72 Cb -0.18 -0.67 0.07 0.00 1.34 0.00 0.00 72.50 73.06 2jwy s THR 72 CO 0.27 -0.61 0.62 -2.65 -0.54 0.00 0.00 174.62 171.71 2jwy n PRO 73 N 1.17 -0.33 -3.76 3.99 -0.02 -1.26 -0.47 135.00 134.32 2jwy n PRO 73 Ca -0.21 -0.05 -0.10 0.00 -2.02 0.00 0.00 63.50 61.13 2jwy n PRO 73 Cb 0.57 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 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 -2.18 -0.05 0.16 2.55 2.15 0.41 -4.36 116.67 115.35 2jwy s ASP 74 Ca 0.60 -0.51 -0.16 0.00 0.43 0.00 0.00 52.55 52.91 2jwy s ASP 74 Cb -0.22 0.41 0.03 0.00 -0.30 0.00 0.00 42.92 42.83 2jwy s ASP 74 CO 0.65 -0.80 1.81 0.00 -0.17 0.00 0.00 175.17 176.66 2jwy h ALA 75 N 2.56 0.52 0.02 3.66 0.00 -1.97 -2.93 119.26 121.13 2jwy h ALA 75 Ca -0.34 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.31 2jwy h ALA 75 Cb 1.23 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2jwy h ALA 75 CO 0.51 -0.05 -1.22 -0.44 0.00 0.00 0.00 179.25 178.06 2jwy h ASP 76 N 0.53 0.08 0.00 0.00 5.19 -1.98 -3.50 116.42 116.74 2jwy h ASP 76 Ca 0.15 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2jwy h ASP 76 Cb -0.04 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.45 2jwy h ASP 76 CO -0.05 1.08 0.00 0.61 -3.12 0.00 0.00 179.24 177.76 2jwy n GLY 77 N 1.44 -1.58 2.95 2.75 0.00 -1.11 -1.06 105.19 108.59 2jwy n GLY 77 Ca -0.06 0.74 -0.14 0.00 0.00 0.00 0.00 46.02 46.56 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 0.77 -0.16 -0.09 2.61 2.01 0.35 -0.44 115.64 120.69 2jwy s THR 78 Ca 0.00 0.23 -0.12 0.00 0.31 0.00 0.00 61.69 62.12 2jwy s THR 78 Cb 0.00 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 2jwy s THR 78 CO 0.00 0.10 0.28 0.42 -0.69 0.00 0.00 174.62 174.72 2jwy s THR 79 N 1.68 5.28 0.04 -0.82 -4.23 0.38 -0.47 115.64 117.51 2jwy s THR 79 Ca -0.04 0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 60.92 2jwy s THR 79 Cb -0.11 -3.58 -0.01 0.00 1.34 0.00 0.00 72.50 70.14 2jwy s THR 79 CO -0.07 0.54 0.14 -1.48 -0.54 0.00 0.00 174.62 173.21 2jwy s LEU 80 N -0.62 1.63 -0.40 4.79 0.05 -0.37 -0.69 118.68 123.08 2jwy s LEU 80 Ca 0.18 -0.50 -0.18 0.00 0.05 0.00 0.00 54.13 53.69 2jwy s LEU 80 Cb -0.14 0.75 0.01 0.00 -2.05 0.00 0.00 46.19 44.77 2jwy s LEU 80 CO 0.07 -0.55 0.47 -0.89 -0.55 0.00 0.00 176.35 174.90 2jwy s THR 81 N -2.73 5.05 -0.47 5.48 2.01 0.62 -0.77 115.64 124.83 2jwy s THR 81 Ca -0.04 -0.09 -0.26 0.00 0.31 0.00 0.00 61.69 61.62 2jwy s THR 81 Cb -0.00 -4.01 0.03 0.00 0.01 0.00 0.00 72.50 68.52 2jwy s THR 81 CO -0.05 -0.35 0.94 -0.22 -0.69 0.00 0.00 174.62 174.24 2jwy s LEU 82 N 2.26 3.99 -0.20 4.42 1.98 0.47 -2.06 118.68 129.55 2jwy s LEU 82 Ca 0.15 0.11 -0.13 0.00 -2.89 0.00 0.00 54.13 51.37 2jwy s LEU 82 Cb -0.16 -3.20 -0.05 0.00 0.66 0.00 0.00 46.19 43.45 2jwy s LEU 82 CO 0.14 -1.07 0.26 -0.13 -1.89 0.00 0.00 176.35 173.67 2jwy s ARG 83 N 3.80 4.18 -0.44 1.98 0.52 -0.84 -0.89 118.95 127.26 2jwy s ARG 83 Ca 0.37 -0.01 -0.02 0.00 -0.52 0.00 0.00 55.73 55.55 2jwy s ARG 83 Cb -0.10 -3.48 0.12 0.00 0.52 0.00 0.00 34.95 32.01 2jwy s ARG 83 CO 0.26 0.13 0.23 0.42 0.02 0.00 0.00 175.30 176.36 2jwy s ILE 84 N 0.82 3.25 0.75 1.52 1.09 0.11 -1.87 121.20 126.87 2jwy s ILE 84 Ca 0.14 -2.27 -0.08 0.00 -1.10 0.00 0.00 60.65 57.34 2jwy s ILE 84 Cb -0.13 -3.22 0.16 0.00 -1.06 0.00 0.00 42.46 38.21 2jwy s ILE 84 CO 0.04 -0.72 1.03 0.00 -0.10 0.00 0.00 174.94 175.19 2jwy n GLN 85 N 4.34 -0.61 -3.77 2.79 6.02 0.22 -0.00 117.38 126.36 2jwy n GLN 85 Ca 0.00 -2.08 -0.13 0.00 -0.01 0.00 0.00 57.00 54.79 2jwy n GLN 85 Cb 0.41 -0.91 -0.13 0.00 1.02 0.00 0.00 30.24 30.63 2jwy n GLN 85 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2jwy s GLY 86 N -5.18 -0.12 0.61 1.08 0.00 0.09 -0.35 107.32 103.46 2jwy s GLY 86 Ca 0.62 0.68 0.33 0.00 0.00 0.00 0.00 44.72 46.36 2jwy s GLY 86 CO 0.43 0.78 2.24 0.83 0.00 0.00 0.00 173.10 177.38 2jwy h GLU 87 N 6.50 0.00 -6.43 2.90 3.07 -1.88 -3.43 114.58 115.30 2jwy h GLU 87 Ca -0.33 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.00 2jwy h GLU 87 Cb 1.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 2jwy h GLU 87 CO 0.39 0.00 0.21 -1.54 -1.40 0.00 0.00 179.01 176.68 2jwy s SER 88 N -5.76 7.33 0.19 1.42 1.04 -1.26 -4.96 113.70 111.70 2jwy s SER 88 Ca -0.05 1.59 -0.05 0.00 0.48 0.00 0.00 55.95 57.92 2jwy s SER 88 Cb 0.14 -2.51 0.12 0.00 0.10 0.00 0.00 66.02 63.88 2jwy s SER 88 CO 0.50 0.06 1.57 0.78 0.98 0.00 0.00 173.24 177.13 2jwy h ASN 89 N 5.22 0.79 -4.03 7.02 2.35 -1.99 -3.35 115.58 121.60 2jwy h ASN 89 Ca -0.45 -0.33 -0.50 0.00 -0.55 0.00 0.00 56.30 54.47 2jwy h ASN 89 Cb 1.21 -0.22 0.06 0.00 0.05 0.00 0.00 38.32 39.41 2jwy h ASN 89 CO 0.70 1.06 0.45 -1.81 -1.65 0.00 0.00 177.43 176.17 2jwy s ASP 90 N -6.81 6.15 0.87 5.81 1.01 -1.26 -4.16 116.67 118.28 2jwy s ASP 90 Ca -0.09 2.19 -0.11 0.00 0.71 0.00 0.00 52.55 55.25 2jwy s ASP 90 Cb 0.12 -2.59 0.11 0.00 1.01 0.00 0.00 42.92 41.58 2jwy s ASP 90 CO 0.85 -0.92 1.10 -2.16 0.21 0.00 0.00 175.17 174.24 2jwy s PRO 91 N -2.89 1.45 0.06 8.23 0.04 -1.26 -4.42 135.00 136.21 2jwy s PRO 91 Ca 0.66 1.06 0.09 0.00 0.04 0.00 0.00 61.00 62.85 2jwy s PRO 91 Cb -0.25 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2jwy s PRO 91 CO 0.30 -2.17 -0.24 -0.51 0.04 0.00 0.00 177.00 174.41 2jwy s LEU 92 N -6.23 2.32 1.19 -3.56 1.43 -1.26 -5.00 118.68 107.57 2jwy s LEU 92 Ca 0.63 -0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 52.95 2jwy s LEU 92 Cb -0.19 -1.34 0.29 0.00 0.03 0.00 0.00 46.19 44.98 2jwy s LEU 92 CO 0.57 0.24 1.18 -2.16 0.23 0.00 0.00 176.35 176.41 2jwy s PRO 93 N -1.47 -1.14 0.59 1.29 0.04 -1.26 -1.20 135.00 131.85 2jwy s PRO 93 Ca 0.13 -0.30 -0.16 0.00 0.04 0.00 0.00 61.00 60.71 2jwy s PRO 93 Cb -0.10 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 2jwy s PRO 93 CO 0.04 -3.62 1.07 0.00 0.04 0.00 0.00 177.00 174.53 2jwy s ALA 94 N -3.26 2.70 0.21 8.56 0.00 -1.26 -4.53 121.76 124.18 2jwy s ALA 94 Ca 0.73 0.48 -0.19 0.00 0.00 0.00 0.00 51.96 52.98 2jwy s ALA 94 Cb -0.06 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.83 2jwy s ALA 94 CO 0.55 -0.84 0.58 -0.59 0.00 0.00 0.00 175.76 175.45 2jwy s PHE 95 N -2.33 -0.20 0.06 0.00 -0.71 -0.98 -1.56 117.98 112.26 2jwy s PHE 95 Ca 0.65 -0.14 -0.14 0.00 -1.04 0.00 0.00 56.93 56.26 2jwy s PHE 95 Cb -0.18 0.48 0.02 0.00 -1.21 0.00 0.00 43.02 42.14 2jwy s PHE 95 CO 0.35 -0.97 0.33 -1.12 -1.34 0.00 0.00 175.22 172.47 2jwy s SER 96 N -2.86 -0.15 0.26 1.98 0.01 0.19 -1.16 113.70 111.97 2jwy s SER 96 Ca 0.08 -0.21 -0.20 0.00 1.31 0.00 0.00 55.95 56.93 2jwy s SER 96 Cb -0.02 0.39 0.07 0.00 0.21 0.00 0.00 66.02 66.67 2jwy s SER 96 CO -0.03 -0.67 0.95 -0.83 0.41 0.00 0.00 173.24 173.07 2jwy s GLY 97 N -2.23 0.21 -0.14 3.44 0.00 -0.70 -0.43 107.32 107.47 2jwy s GLY 97 Ca -0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.15 2jwy s GLY 97 CO -0.05 1.45 0.05 -1.59 0.00 0.00 0.00 173.10 172.96 2jwy s THR 98 N -2.22 4.72 -0.11 0.90 2.01 0.31 -0.97 115.64 120.28 2jwy s THR 98 Ca 0.20 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 2jwy s THR 98 Cb -0.04 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 2jwy s THR 98 CO 0.08 0.54 -0.07 0.68 -0.69 0.00 0.00 174.62 175.16 2jwy s VAL 99 N -0.34 3.68 -0.26 3.82 -7.23 0.31 -1.46 120.40 118.91 2jwy s VAL 99 Ca 0.08 -0.46 -0.09 0.00 -1.81 0.00 0.00 61.98 59.71 2jwy s VAL 99 Cb -0.12 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2jwy s VAL 99 CO 0.02 0.55 0.12 -1.61 -0.31 0.00 0.00 175.10 173.86 2jwy s GLU 100 N -0.20 3.77 -0.04 4.82 0.41 0.36 -1.67 118.70 126.14 2jwy s GLU 100 Ca 0.03 -0.41 0.01 0.00 -0.41 0.00 0.00 54.97 54.18 2jwy s GLU 100 Cb -0.13 -3.45 0.02 0.00 -1.78 0.00 0.00 34.13 28.79 2jwy s GLU 100 CO 0.03 -0.18 -0.06 1.52 -0.49 0.00 0.00 175.26 176.08 2jwy s TYR 101 N 1.66 0.82 0.00 1.61 1.13 -0.45 0.22 117.35 122.34 2jwy s TYR 101 Ca 0.07 -0.24 0.00 0.00 -1.41 0.00 0.00 57.07 55.49 2jwy s TYR 101 Cb -0.15 -0.70 0.00 0.00 -1.10 0.00 0.00 41.96 40.01 2jwy s TYR 101 CO 0.06 -0.19 0.00 0.41 -2.51 0.00 0.00 175.55 173.32 2jwy n GLY 102 N 3.95 1.69 3.64 5.49 0.00 -1.21 -1.38 105.19 117.37 2jwy n GLY 102 Ca -0.25 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 1.36 2.34 -0.33 1.61 -0.21 0.51 -0.45 119.66 124.49 2jwy s GLN 103 Ca 0.00 -0.99 -0.02 0.00 0.02 0.00 0.00 55.36 54.37 2jwy s GLN 103 Cb 0.00 -2.39 0.07 0.00 1.00 0.00 0.00 33.01 31.68 2jwy s GLN 103 CO 0.00 0.50 0.06 0.42 -2.12 0.00 0.00 175.29 174.15 2jwy s ILE 104 N -1.39 3.03 -1.56 1.08 1.01 -1.26 -0.61 121.20 121.49 2jwy s ILE 104 Ca 0.25 -1.61 0.24 0.00 0.00 0.00 0.00 60.65 59.52 2jwy s ILE 104 Cb -0.11 -2.86 0.06 0.00 0.01 0.00 0.00 42.46 39.57 2jwy s ILE 104 CO 0.17 -0.29 1.30 0.00 0.00 0.00 0.00 174.94 176.12 2jwy n GLN 105 N 4.59 0.64 -1.12 2.79 10.64 -1.13 -4.97 117.38 128.82 2jwy n GLN 105 Ca -0.09 -0.45 -0.00 0.00 -1.83 0.00 0.00 57.00 54.62 2jwy n GLN 105 Cb 0.43 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 2jwy n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jwy n GLY 106 N 1.42 2.19 4.00 2.61 0.00 -1.26 -4.89 105.19 109.26 2jwy n GLY 106 Ca 0.09 -2.14 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 2jwy n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jwy s THR 107 N 0.76 2.55 0.45 2.61 -4.23 0.44 -4.77 115.64 113.45 2jwy s THR 107 Ca 0.00 -0.82 0.25 0.00 -1.18 0.00 0.00 61.69 59.95 2jwy s THR 107 Cb -0.00 -2.73 0.28 0.00 1.34 0.00 0.00 72.50 71.39 2jwy s THR 107 CO 0.00 0.00 2.09 0.40 -0.54 0.00 0.00 174.62 176.57 2jwy h ILE 108 N 0.14 0.68 0.19 2.99 1.08 -2.00 -2.41 117.51 118.18 2jwy h ILE 108 Ca -0.38 -0.46 -0.30 0.00 -0.39 0.00 0.00 64.86 63.33 2jwy h ILE 108 Cb 1.28 1.29 0.02 0.00 -3.07 0.00 0.00 36.82 36.34 2jwy h ILE 108 CO 0.45 0.11 -1.41 -0.78 -0.69 0.00 0.00 178.15 175.84 2jwy h ASP 109 N 0.00 0.63 -2.78 1.72 3.58 -1.99 -3.44 116.42 114.14 2jwy h ASP 109 Ca -0.00 -0.92 -0.54 0.00 0.42 0.00 0.00 57.03 55.98 2jwy h ASP 109 Cb 0.28 -0.20 -0.40 0.00 1.72 0.00 0.00 39.33 40.72 2jwy h ASP 109 CO 0.01 1.65 -0.79 0.54 -2.88 0.00 0.00 179.24 177.78 2jwy s ASN 110 N -7.29 3.46 0.13 2.28 4.22 -1.04 -5.14 114.94 111.56 2jwy s ASN 110 Ca -0.14 -1.50 0.09 0.00 -2.14 0.00 0.00 52.86 49.17 2jwy s ASN 110 Cb 0.04 -0.39 -0.04 0.00 1.28 0.00 0.00 41.25 42.13 2jwy s ASN 110 CO 0.87 -0.41 -0.16 0.72 -2.04 0.00 0.00 177.10 176.07 2jwy s PHE 111 N 1.86 2.55 -0.12 1.54 -0.71 -0.94 -0.42 117.98 121.73 2jwy s PHE 111 Ca 0.11 -0.26 0.00 0.00 -1.04 0.00 0.00 56.93 55.74 2jwy s PHE 111 Cb -0.18 -1.33 0.02 0.00 -1.21 0.00 0.00 43.02 40.33 2jwy s PHE 111 CO -0.29 0.42 -0.10 -0.65 -1.34 0.00 0.00 175.22 173.26 2jwy s GLN 112 N -2.31 1.84 -0.60 1.99 -0.21 -1.26 -4.88 119.66 114.24 2jwy s GLN 112 Ca 0.20 -0.38 -0.28 0.00 0.02 0.00 0.00 55.36 54.92 2jwy s GLN 112 Cb -0.10 -1.78 0.02 0.00 1.00 0.00 0.00 33.01 32.15 2jwy s GLN 112 CO 0.11 -0.24 1.31 -1.21 -2.12 0.00 0.00 175.29 173.14 2jwy s GLU 113 N 1.57 3.36 0.13 2.91 8.01 -1.26 -2.84 118.70 130.58 2jwy s GLU 113 Ca 0.04 0.26 0.04 0.00 0.01 0.00 0.00 54.97 55.32 2jwy s GLU 113 Cb -0.13 -4.09 -0.04 0.00 -4.31 0.00 0.00 34.13 25.56 2jwy s GLU 113 CO -0.09 -1.89 0.13 0.96 0.01 0.00 0.00 175.26 174.38 2jwy s ILE 114 N 5.62 4.55 -1.62 -1.63 -4.36 0.22 -4.45 121.20 119.53 2jwy s ILE 114 Ca 0.46 -0.95 0.00 0.00 -0.26 0.00 0.00 60.65 59.90 2jwy s ILE 114 Cb -0.09 -3.28 0.00 0.00 1.25 0.00 0.00 42.46 40.34 2jwy s ILE 114 CO 0.23 -0.03 0.00 0.59 0.24 0.00 0.00 174.94 175.98 2jwy n ASN 115 N -0.08 -5.21 -4.80 4.36 3.02 -1.26 -0.36 115.26 110.94 2jwy n ASN 115 Ca -0.08 0.12 -0.38 0.00 -0.03 0.00 0.00 54.58 54.20 2jwy n ASN 115 Cb 0.54 -4.41 -0.06 0.00 -0.61 0.00 0.00 39.78 35.24 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 -2.85 5.00 0.22 2.41 0.11 -1.26 -4.49 120.40 119.55 2jwy s VAL 116 Ca 0.00 0.96 -0.02 0.00 -2.93 0.00 0.00 61.98 59.99 2jwy s VAL 116 Cb 0.00 -3.79 -0.03 0.00 -1.53 0.00 0.00 36.38 31.03 2jwy s VAL 116 CO 0.00 0.50 0.21 0.00 -3.33 0.00 0.00 175.10 172.48 2jwy s GLN 117 N -0.60 1.33 0.42 1.54 0.00 -0.48 -4.96 119.66 116.91 2jwy s GLN 117 Ca 0.26 -1.61 0.08 0.00 -0.00 0.00 0.00 55.36 54.08 2jwy s GLN 117 Cb -0.17 0.31 -0.03 0.00 0.00 0.00 0.00 33.01 33.12 2jwy s GLN 117 CO 0.14 -0.47 0.33 0.54 0.00 0.00 0.00 175.29 175.83 2jwy s ASN 118 N -3.16 4.90 -0.11 12.60 4.22 -1.26 -1.35 114.94 130.79 2jwy s ASN 118 Ca 0.36 -0.82 -0.30 0.00 -2.14 0.00 0.00 52.86 49.96 2jwy s ASN 118 Cb 0.05 -0.55 0.09 0.00 1.28 0.00 0.00 41.25 42.12 2jwy s ASN 118 CO 0.13 -0.63 0.81 -1.58 -2.04 0.00 0.00 177.10 173.80 2jwy s GLN 119 N -4.08 0.86 -0.17 3.55 0.74 -0.67 -4.95 119.66 114.94 2jwy s GLN 119 Ca 0.46 0.25 -0.17 0.00 0.05 0.00 0.00 55.36 55.95 2jwy s GLN 119 Cb -0.02 0.41 -0.04 0.00 1.10 0.00 0.00 33.01 34.46 2jwy s GLN 119 CO 0.27 -0.26 0.45 -0.51 -0.55 0.00 0.00 175.29 174.68 2jwy s LEU 120 N -1.07 4.19 -0.06 3.68 1.43 -1.26 -0.53 118.68 125.06 2jwy s LEU 120 Ca -0.07 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 2jwy s LEU 120 Cb -0.00 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 2jwy s LEU 120 CO 0.06 -0.07 -0.09 0.27 0.23 0.00 0.00 176.35 176.75 2jwy s ILE 121 N 1.15 3.50 -0.07 -0.59 -4.36 -0.15 -4.99 121.20 115.69 2jwy s ILE 121 Ca 0.22 -0.56 0.03 0.00 -0.26 0.00 0.00 60.65 60.09 2jwy s ILE 121 Cb -0.15 -2.41 0.00 0.00 1.25 0.00 0.00 42.46 41.15 2jwy s ILE 121 CO 0.09 0.60 -0.18 0.20 0.24 0.00 0.00 174.94 175.89 2jwy s ASN 122 N -0.79 2.34 -0.05 4.36 -0.87 -1.26 -1.73 114.94 116.95 2jwy s ASN 122 Ca 0.12 -0.41 0.05 0.00 -1.57 0.00 0.00 52.86 51.05 2jwy s ASN 122 Cb -0.11 -0.99 -0.00 0.00 -0.02 0.00 0.00 41.25 40.13 2jwy s ASN 122 CO 0.01 0.11 -0.19 0.00 -2.57 0.00 0.00 177.10 174.46 2jwy s ALA 123 N 0.41 1.67 0.97 0.60 0.00 -0.31 -4.96 121.76 120.14 2jwy s ALA 123 Ca -0.14 -0.77 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 2jwy s ALA 123 Cb -0.16 -0.54 0.17 0.00 0.00 0.00 0.00 23.12 22.59 2jwy s ALA 123 CO 0.05 0.31 1.09 -2.14 0.00 0.00 0.00 175.76 175.07 2jwy s PRO 124 N -0.01 0.65 -0.03 0.00 0.02 -1.26 -2.33 135.00 132.04 2jwy s PRO 124 Ca -0.04 0.64 -0.26 0.00 0.02 0.00 0.00 61.00 61.37 2jwy s PRO 124 Cb -0.12 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 2jwy s PRO 124 CO 0.02 -2.61 0.80 0.00 -0.33 0.00 0.00 177.00 174.88 2jwy s ALA 125 N -2.93 3.28 -0.71 -1.55 0.00 -1.26 -4.37 121.76 114.22 2jwy s ALA 125 Ca 0.65 0.29 -0.27 0.00 0.00 0.00 0.00 51.96 52.63 2jwy s ALA 125 Cb -0.19 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 19.87 2jwy s ALA 125 CO 0.58 -0.12 1.30 -1.12 0.00 0.00 0.00 175.76 176.39 2jwy s SER 126 N 0.76 6.16 0.37 0.00 0.01 -0.34 -4.87 113.70 115.79 2jwy s SER 126 Ca 0.42 -0.33 0.18 0.00 1.31 0.00 0.00 55.95 57.53 2jwy s SER 126 Cb -0.19 -2.56 0.67 0.00 0.21 0.00 0.00 66.02 64.15 2jwy s SER 126 CO 0.22 -1.81 1.73 1.62 0.41 0.00 0.00 173.24 175.41 2jwy h VAL 127 N 6.09 0.93 -1.92 3.43 3.04 -1.95 -3.35 116.25 122.51 2jwy h VAL 127 Ca -0.28 -1.54 -0.62 0.00 -1.01 0.00 0.00 66.70 63.26 2jwy h VAL 127 Cb 1.06 1.93 -0.13 0.00 -2.01 0.00 0.00 31.29 32.13 2jwy h VAL 127 CO 1.26 0.38 -0.67 -0.76 -1.01 0.00 0.00 177.57 176.77 2jwy s LEU 128 N -7.14 2.76 0.14 3.16 1.43 -1.26 -4.96 118.68 112.81 2jwy s LEU 128 Ca -0.00 -1.19 0.05 0.00 -1.03 0.00 0.00 54.13 51.96 2jwy s LEU 128 Cb 0.11 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 2jwy s LEU 128 CO 0.69 -0.22 0.10 0.00 0.23 0.00 0.00 176.35 177.16 2jwy s ALA 129 N -2.61 3.52 0.83 4.21 0.00 -1.26 -4.53 121.76 121.92 2jwy s ALA 129 Ca 0.33 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 2jwy s ALA 129 Cb 0.03 -1.34 0.14 0.00 0.00 0.00 0.00 23.12 21.95 2jwy s ALA 129 CO 0.17 0.56 1.17 -1.25 0.00 0.00 0.00 175.76 176.41 2jwy s PRO 130 N -2.90 1.37 -0.76 0.00 0.04 -1.26 -5.05 135.00 126.44 2jwy s PRO 130 Ca 0.30 -0.46 -0.26 0.00 0.04 0.00 0.00 61.00 60.62 2jwy s PRO 130 Cb -0.10 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.41 2jwy s PRO 130 CO 0.22 -1.84 1.59 -1.12 0.04 0.00 0.00 177.00 175.88 2jwy s SER 131 N -4.74 5.79 -0.06 6.66 0.01 -1.26 -4.91 113.70 115.19 2jwy s SER 131 Ca 0.68 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 57.55 2jwy s SER 131 Cb -0.07 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.64 2jwy s SER 131 CO 0.49 -2.08 -0.01 -1.81 0.41 0.00 0.00 173.24 170.23 2jwy s ASP 132 N 5.93 1.36 0.12 2.44 1.01 -1.26 -0.73 116.67 125.53 2jwy s ASP 132 Ca 0.52 -0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.72 2jwy s ASP 132 Cb -0.08 -0.43 -0.04 0.00 1.01 0.00 0.00 42.92 43.38 2jwy s ASP 132 CO 0.11 -0.15 -0.08 -0.69 0.21 0.00 0.00 175.17 174.56 2jwy s VAL 133 N 1.65 0.90 -0.07 -1.27 1.01 1.00 -4.97 120.40 118.65 2jwy s VAL 133 Ca 0.00 -1.96 -0.10 0.00 0.00 0.00 0.00 61.98 59.93 2jwy s VAL 133 Cb -0.13 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2jwy s VAL 133 CO -0.04 -0.80 0.25 1.51 0.00 0.00 0.00 175.10 176.02 2jwy s ASP 134 N -3.04 -0.21 0.01 3.32 1.47 -1.26 0.07 116.67 117.03 2jwy s ASP 134 Ca 0.13 0.34 -0.00 0.00 1.18 0.00 0.00 52.55 54.19 2jwy s ASP 134 Cb 0.04 0.44 -0.01 0.00 -0.34 0.00 0.00 42.92 43.04 2jwy s ASP 134 CO -0.02 -0.19 -0.01 0.27 0.68 0.00 0.00 175.17 175.89 2jwy s ILE 135 N -0.33 0.09 0.34 2.11 -4.36 -0.06 -4.98 121.20 114.00 2jwy s ILE 135 Ca -0.04 -0.71 -0.26 0.00 -0.26 0.00 0.00 60.65 59.37 2jwy s ILE 135 Cb -0.03 -0.22 -0.09 0.00 1.25 0.00 0.00 42.46 43.36 2jwy s ILE 135 CO 0.01 -0.39 1.00 -2.16 0.24 0.00 0.00 174.94 173.64 2jwy s PRO 136 N -1.16 4.46 -0.19 0.37 0.04 -1.26 -0.39 135.00 136.87 2jwy s PRO 136 Ca -0.13 1.45 -0.04 0.00 0.04 0.00 0.00 61.00 62.32 2jwy s PRO 136 Cb -0.08 -2.78 0.06 0.00 0.04 0.00 0.00 34.50 31.75 2jwy s PRO 136 CO -0.01 0.14 0.08 -1.17 0.04 0.00 0.00 177.00 176.08 2jwy s LEU 137 N -2.15 0.59 -0.65 -3.56 0.20 0.05 -4.88 118.68 108.28 2jwy s LEU 137 Ca 0.52 -0.74 -0.18 0.00 0.69 0.00 0.00 54.13 54.41 2jwy s LEU 137 Cb -0.22 -0.34 0.12 0.00 -0.43 0.00 0.00 46.19 45.32 2jwy s LEU 137 CO 0.27 -0.35 0.74 -1.58 -0.29 0.00 0.00 176.35 175.15 2jwy s GLN 138 N 2.06 3.16 0.03 1.98 0.74 -1.26 -1.23 119.66 125.14 2jwy s GLN 138 Ca 0.02 -1.52 -0.30 0.00 0.05 0.00 0.00 55.36 53.60 2jwy s GLN 138 Cb -0.16 -4.35 -0.05 0.00 1.10 0.00 0.00 33.01 29.54 2jwy s GLN 138 CO -0.12 -1.53 1.21 -0.51 -0.55 0.00 0.00 175.29 173.80 2jwy s LEU 139 N 2.33 4.35 -0.07 3.68 1.43 0.38 -4.89 118.68 125.89 2jwy s LEU 139 Ca 0.14 1.99 -0.03 0.00 -1.03 0.00 0.00 54.13 55.20 2jwy s LEU 139 Cb -0.21 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2jwy s LEU 139 CO 0.03 -0.51 0.07 -0.54 0.23 0.00 0.00 176.35 175.63 2jwy s LYS 140 N 1.38 3.14 -1.04 1.70 1.02 -1.26 -0.50 119.74 124.18 2jwy s LYS 140 Ca 0.59 -0.36 -0.03 0.00 0.02 0.00 0.00 55.97 56.19 2jwy s LYS 140 Cb -0.29 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 2jwy s LYS 140 CO 0.28 0.70 0.37 0.41 -0.92 0.00 0.00 175.35 176.19 2jwy n GLY 141 N 1.75 -0.12 3.62 -3.33 0.00 -0.22 -4.91 105.19 101.98 2jwy n GLY 141 Ca -0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.94 -0.36 0.36 -0.61 2.07 -1.26 -5.06 121.20 113.40 2jwy s ILE 142 Ca 0.19 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.35 2jwy s ILE 142 Cb -0.08 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.45 2jwy s ILE 142 CO 0.23 0.00 0.69 -0.44 -1.91 0.00 0.00 174.94 173.51 2jwy s SER 143 N 2.08 6.48 0.31 4.50 0.01 -1.26 -2.94 113.70 122.87 2jwy s SER 143 Ca -0.08 0.96 0.05 0.00 1.31 0.00 0.00 55.95 58.19 2jwy s SER 143 Cb -0.07 -2.25 0.67 0.00 0.21 0.00 0.00 66.02 64.58 2jwy s SER 143 CO -0.19 -0.33 1.83 1.62 0.41 0.00 0.00 173.24 176.58 2jwy h VAL 144 N 1.14 0.84 0.00 3.43 3.04 -1.93 0.13 116.25 122.90 2jwy h VAL 144 Ca -0.47 -0.29 -0.07 0.00 -1.01 0.00 0.00 66.70 64.85 2jwy h VAL 144 Cb 1.19 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 2jwy h VAL 144 CO 0.64 0.16 -0.34 -0.78 -1.01 0.00 0.00 177.57 176.24 2jwy h ASP 145 N 0.86 0.00 0.38 3.17 3.58 -2.01 -2.52 116.42 119.88 2jwy h ASP 145 Ca 0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.96 2jwy h ASP 145 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2jwy h ASP 145 CO -0.28 0.34 -0.04 0.00 -2.88 0.00 0.00 179.24 176.38 2jwy n GLN 146 N -3.80 0.65 -2.26 0.28 1.13 0.43 -4.84 117.38 108.98 2jwy n GLN 146 Ca -0.01 -0.10 -0.42 0.00 -1.94 0.00 0.00 57.00 54.52 2jwy n GLN 146 Cb 0.42 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.25 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 -2.41 4.26 -0.22 1.08 1.43 -0.95 -4.36 118.68 117.50 2jwy s LEU 147 Ca 0.33 1.96 -0.08 0.00 -1.03 0.00 0.00 54.13 55.30 2jwy s LEU 147 Cb 0.21 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.78 2jwy s LEU 147 CO 0.44 -0.79 -0.27 0.61 0.23 0.00 0.00 176.35 176.58 2jwy n GLY 148 N 3.76 -0.34 3.32 -3.19 0.00 0.41 -4.87 105.19 104.27 2jwy n GLY 148 Ca 0.14 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.41 0.02 -0.37 1.61 -0.71 -1.08 -4.44 117.98 110.59 2jwy s PHE 149 Ca -0.31 -0.38 0.01 0.00 -1.04 0.00 0.00 56.93 55.21 2jwy s PHE 149 Cb 0.11 0.13 0.12 0.00 -1.21 0.00 0.00 43.02 42.17 2jwy s PHE 149 CO 0.41 -0.69 0.18 0.08 -1.34 0.00 0.00 175.22 173.86 2jwy s VAL 150 N -3.86 0.97 -0.51 -2.49 1.01 0.75 -3.31 120.40 112.95 2jwy s VAL 150 Ca 0.07 -1.96 -0.24 0.00 0.00 0.00 0.00 61.98 59.86 2jwy s VAL 150 Cb 0.03 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.74 2jwy s VAL 150 CO -0.08 -0.83 0.89 -0.60 0.00 0.00 0.00 175.10 174.48 2jwy s ARG 151 N 0.97 3.37 0.04 2.72 3.52 0.13 -0.36 118.95 129.34 2jwy s ARG 151 Ca 0.15 -0.19 -0.24 0.00 -0.13 0.00 0.00 55.73 55.32 2jwy s ARG 151 Cb -0.22 -4.01 -0.06 0.00 -1.56 0.00 0.00 34.95 29.11 2jwy s ARG 151 CO -0.09 -1.35 0.72 0.42 -0.81 0.00 0.00 175.30 174.18 2jwy s ILE 152 N 3.70 4.76 0.36 4.11 -1.09 -0.00 -0.49 121.20 132.56 2jwy s ILE 152 Ca 0.31 1.52 -0.17 0.00 -2.23 0.00 0.00 60.65 60.08 2jwy s ILE 152 Cb -0.12 -4.06 0.06 0.00 -1.58 0.00 0.00 42.46 36.76 2jwy s ILE 152 CO 0.21 0.39 0.83 -1.38 -1.23 0.00 0.00 174.94 173.76 2jwy s HIS 153 N -0.16 0.12 -1.60 3.97 -3.43 -0.54 -2.29 115.29 111.37 2jwy s HIS 153 Ca 0.36 -0.77 0.00 0.00 -0.80 0.00 0.00 55.06 53.85 2jwy s HIS 153 Cb -0.20 0.83 0.00 0.00 -1.43 0.00 0.00 32.58 31.78 2jwy s HIS 153 CO 0.21 -1.48 0.00 -0.25 -2.00 0.00 0.00 174.74 171.22 2jwy n ASP 154 N -1.43 -4.86 -4.55 7.38 8.00 -1.26 -0.53 116.55 119.30 2jwy n ASP 154 Ca -0.08 0.29 -0.32 0.00 0.71 0.00 0.00 54.79 55.39 2jwy n ASP 154 Cb 0.60 -3.81 -0.04 0.00 -0.02 0.00 0.00 41.12 37.85 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 -2.64 3.18 0.12 0.53 -1.09 -1.26 -4.23 121.20 115.81 2jwy s ILE 155 Ca 0.00 0.02 0.08 0.00 -2.23 0.00 0.00 60.65 58.52 2jwy s ILE 155 Cb 0.00 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.40 2jwy s ILE 155 CO 0.00 -0.43 -0.14 0.00 -1.23 0.00 0.00 174.94 173.14 2jwy s GLN 156 N 7.81 1.94 0.47 2.79 -2.07 0.43 -3.45 119.66 127.59 2jwy s GLN 156 Ca 0.83 -1.14 -0.21 0.00 -1.82 0.00 0.00 55.36 53.02 2jwy s GLN 156 Cb -0.14 -2.19 -0.08 0.00 -1.09 0.00 0.00 33.01 29.52 2jwy s GLN 156 CO 0.18 0.48 1.09 -1.25 -1.32 0.00 0.00 175.29 174.47 2jwy s PRO 157 N -2.28 3.77 -0.06 9.60 0.04 -1.26 -0.63 135.00 144.19 2jwy s PRO 157 Ca 0.20 1.54 0.01 0.00 0.04 0.00 0.00 61.00 62.79 2jwy s PRO 157 Cb -0.10 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.22 2jwy s PRO 157 CO 0.12 -0.49 -0.04 0.54 0.04 0.00 0.00 177.00 177.17 2jwy s VAL 158 N -1.76 0.59 0.00 -0.36 0.11 -0.60 -4.81 120.40 113.56 2jwy s VAL 158 Ca 0.66 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 2jwy s VAL 158 Cb -0.22 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 2jwy s VAL 158 CO 0.26 0.25 0.00 1.15 -3.33 0.00 0.00 175.10 173.43 2jwy n MET 159 N 4.28 0.00 -1.55 1.54 0.00 -1.26 -4.08 117.12 116.05 2jwy n MET 159 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.17 2jwy n MET 159 Cb 0.51 0.00 0.07 0.00 0.00 0.00 0.00 33.22 33.80 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 -1.56 2.51 -0.28 3.17 0.00 -1.26 -4.97 119.66 117.28 2jwy s GLN 160 Ca 0.00 1.38 -0.29 0.00 -0.00 0.00 0.00 55.36 56.45 2jwy s GLN 160 Cb 0.00 -1.91 -0.00 0.00 0.00 0.00 0.00 33.01 31.09 2jwy s GLN 160 CO 0.00 -1.47 1.30 -0.51 0.00 0.00 0.00 175.29 174.61 2jwy s LEU 161 N -5.24 3.92 -0.04 2.60 1.43 -1.26 -5.02 118.68 115.07 2jwy s LEU 161 Ca 0.66 1.27 0.07 0.00 -1.03 0.00 0.00 54.13 55.10 2jwy s LEU 161 Cb -0.21 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 2jwy s LEU 161 CO 0.46 -1.05 -0.25 -1.61 0.23 0.00 0.00 176.35 174.14 2jwy s GLU 162 N 4.10 2.31 -0.01 1.70 2.02 -1.26 -5.13 118.70 122.43 2jwy s GLU 162 Ca 0.56 -0.90 -0.15 0.00 0.02 0.00 0.00 54.97 54.50 2jwy s GLU 162 Cb -0.17 -2.11 -0.06 0.00 0.10 0.00 0.00 34.13 31.89 2jwy s GLU 162 CO 0.22 0.50 0.42 -1.58 0.02 0.00 0.00 175.26 174.84 2jwy s HIS 163 N -0.45 3.71 -0.15 1.61 5.65 -1.26 -5.09 115.29 119.32 2jwy s HIS 163 Ca 0.05 0.99 0.01 0.00 0.25 0.00 0.00 55.06 56.36 2jwy s HIS 163 Cb -0.11 -2.32 0.02 0.00 -1.18 0.00 0.00 32.58 28.99 2jwy s HIS 163 CO 0.01 0.60 -0.16 -1.01 -0.65 0.00 0.00 174.74 173.53 2jwy s HIS 164 N -0.93 2.35 -0.86 3.88 0.09 -1.26 -5.07 115.29 113.49 2jwy s HIS 164 Ca 0.24 -1.33 -0.21 0.00 -0.00 0.00 0.00 55.06 53.76 2jwy s HIS 164 Cb -0.17 -1.69 0.09 0.00 -0.00 0.00 0.00 32.58 30.81 2jwy s HIS 164 CO 0.13 -0.69 1.17 -1.58 -0.00 0.00 0.00 174.74 173.77 2jwy s HIS 165 N 1.36 2.79 -0.01 1.40 2.46 -1.26 -5.02 115.29 117.02 2jwy s HIS 165 Ca 0.04 -0.92 -0.29 0.00 0.47 0.00 0.00 55.06 54.36 2jwy s HIS 165 Cb -0.13 -4.41 -0.03 0.00 -0.13 0.00 0.00 32.58 27.88 2jwy s HIS 165 CO -0.10 -1.69 0.93 -1.58 -2.47 0.00 0.00 174.74 169.83 2jwy s HIS 166 N 3.85 3.65 -0.09 3.88 2.46 -1.26 -4.48 115.29 123.29 2jwy s HIS 166 Ca 0.33 1.62 -0.00 0.00 0.47 0.00 0.00 55.06 57.48 2jwy s HIS 166 Cb -0.07 -3.06 0.00 0.00 -0.13 0.00 0.00 32.58 29.31 2jwy s HIS 166 CO -0.02 0.01 0.00 0.72 -2.47 0.00 0.00 174.74 172.98 2jwy n HIS 167 N 3.87 -1.23 0.54 3.88 8.25 -1.26 -5.36 115.22 123.91 2jwy n HIS 167 Ca 0.05 0.55 0.06 0.00 -0.26 0.00 0.00 57.72 58.12 2jwy n HIS 167 Cb 0.51 -2.27 0.05 0.00 1.12 0.00 0.00 29.99 29.41 2jwy n HIS 167 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59