#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwn s ILE 17 N 0.00 4.80 0.00 1.39 -1.09 0.15 -4.18 121.20 122.27 2nwn s ILE 17 Ca 0.00 2.00 0.00 0.00 -2.23 0.00 0.00 60.65 60.42 2nwn s ILE 17 Cb 0.00 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 2nwn s ILE 17 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 2nwn n GLY 18 N 3.12 1.63 7.00 6.18 0.00 -1.26 -2.30 105.19 119.56 2nwn n GLY 18 Ca 0.08 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2nwn n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nwn n GLY 19 N 0.00 1.36 3.41 -0.02 0.00 -1.26 -4.91 105.19 103.77 2nwn n GLY 19 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 2nwn n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2nwn s GLU 20 N 0.00 1.23 0.53 1.61 -1.05 -0.41 -5.00 118.70 115.60 2nwn s GLU 20 Ca 0.00 -1.02 -0.09 0.00 -0.15 0.00 0.00 54.97 53.71 2nwn s GLU 20 Cb 0.00 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 34.08 2nwn s GLU 20 CO 0.00 -0.48 0.89 -0.06 0.95 0.00 0.00 175.26 176.56 2nwn s PHE 21 N -3.92 3.57 0.37 4.83 0.40 -1.26 -1.41 117.98 120.55 2nwn s PHE 21 Ca 0.13 1.07 -0.12 0.00 -0.60 0.00 0.00 56.93 57.41 2nwn s PHE 21 Cb 0.02 -2.51 0.04 0.00 0.51 0.00 0.00 43.02 41.07 2nwn s PHE 21 CO -0.02 -0.42 0.69 -0.08 0.70 0.00 0.00 175.22 176.09 2nwn s THR 22 N -2.85 0.00 0.27 0.64 -1.32 -0.20 -4.80 115.64 107.38 2nwn s THR 22 Ca 0.52 -1.18 0.11 0.00 -1.21 0.00 0.00 61.69 59.92 2nwn s THR 22 Cb -0.11 -2.77 -0.05 0.00 -1.51 0.00 0.00 72.50 68.06 2nwn s THR 22 CO 0.45 0.00 -0.17 0.42 -2.21 0.00 0.00 174.62 173.12 2nwn s THR 23 N -2.60 2.26 0.58 5.08 -4.23 -1.26 -4.05 115.64 111.42 2nwn s THR 23 Ca 0.20 -2.33 0.28 0.00 -1.18 0.00 0.00 61.69 58.66 2nwn s THR 23 Cb -0.04 -2.29 0.37 0.00 1.34 0.00 0.00 72.50 71.88 2nwn s THR 23 CO 0.14 -0.41 2.01 -0.29 -0.54 0.00 0.00 174.62 175.52 2nwn h ILE 24 N 2.30 0.46 -0.87 2.99 6.09 -1.88 -1.74 117.51 124.85 2nwn h ILE 24 Ca -0.40 0.00 0.18 0.00 -1.37 0.00 0.00 64.86 63.27 2nwn h ILE 24 Cb 1.25 0.74 -0.07 0.00 0.47 0.00 0.00 36.82 39.21 2nwn h ILE 24 CO 0.62 0.00 0.58 -0.33 -3.07 0.00 0.00 178.15 175.95 2nwn h GLU 25 N 0.00 0.45 0.00 2.19 3.07 -1.85 0.11 114.58 118.56 2nwn h GLU 25 Ca 0.15 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2nwn h GLU 25 Cb 0.81 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2nwn h GLU 25 CO -0.00 0.30 0.00 0.09 -1.40 0.00 0.00 179.01 178.00 2nwn n ASN 26 N -4.52 0.79 -3.09 1.42 3.02 -0.65 -3.92 115.26 108.31 2nwn n ASN 26 Ca 0.18 0.59 -0.18 0.00 -0.03 0.00 0.00 54.58 55.15 2nwn n ASN 26 Cb 0.62 -0.80 -0.02 0.00 -0.61 0.00 0.00 39.78 38.97 2nwn n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nwn n GLN 27 N -2.26 0.88 0.02 3.52 1.13 0.18 -4.99 117.38 115.86 2nwn n GLN 27 Ca 0.05 -2.99 0.01 0.00 -1.94 0.00 0.00 57.00 52.13 2nwn n GLN 27 Cb 0.39 -1.44 0.07 0.00 0.11 0.00 0.00 30.24 29.37 2nwn n GLN 27 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2nwn n PRO 28 N 0.78 0.02 0.00 -1.09 -0.04 -0.01 -1.19 135.00 133.46 2nwn n PRO 28 Ca 0.20 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 64.23 2nwn n PRO 28 Cb 0.62 -1.61 0.04 0.00 -0.04 0.00 0.00 33.50 32.51 2nwn n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2nwn n TRP 29 N -1.54 0.00 -2.15 0.54 2.14 -1.07 -0.59 117.44 114.77 2nwn n TRP 29 Ca -0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 2nwn n TRP 29 Cb 0.06 -0.08 -0.03 0.00 -0.81 0.00 0.00 31.31 30.46 2nwn n TRP 29 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 2nwn s PHE 30 N -2.86 2.92 -0.11 -2.67 2.19 -0.33 0.19 117.98 117.30 2nwn s PHE 30 Ca 0.12 0.78 -0.03 0.00 0.33 0.00 0.00 56.93 58.13 2nwn s PHE 30 Cb 0.17 -3.72 -0.03 0.00 -1.31 0.00 0.00 43.02 38.12 2nwn s PHE 30 CO 0.74 -2.68 -0.00 0.00 1.83 0.00 0.00 175.22 175.11 2nwn s ALA 31 N 1.96 3.22 -0.27 11.12 0.00 -0.25 -4.31 121.76 133.22 2nwn s ALA 31 Ca 0.66 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 2nwn s ALA 31 Cb -0.35 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2nwn s ALA 31 CO 0.29 0.45 0.08 0.00 0.00 0.00 0.00 175.76 176.58 2nwn s ALA 32 N -0.42 3.12 -0.17 0.00 0.00 -0.42 -0.75 121.76 123.12 2nwn s ALA 32 Ca 0.08 -1.29 -0.05 0.00 0.00 0.00 0.00 51.96 50.69 2nwn s ALA 32 Cb -0.12 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 2nwn s ALA 32 CO 0.02 -0.71 0.01 0.42 0.00 0.00 0.00 175.76 175.50 2nwn s ILE 33 N 1.56 4.33 0.22 0.00 1.01 -0.72 -0.46 121.20 127.14 2nwn s ILE 33 Ca 0.05 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.57 2nwn s ILE 33 Cb -0.16 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 2nwn s ILE 33 CO 0.03 0.48 -0.11 -0.31 0.00 0.00 0.00 174.94 175.03 2nwn s TYR 34 N 0.35 1.75 -0.04 3.97 4.12 0.13 -1.35 117.35 126.28 2nwn s TYR 34 Ca -0.01 -0.63 0.06 0.00 0.02 0.00 0.00 57.07 56.52 2nwn s TYR 34 Cb -0.13 -0.87 -0.01 0.00 -1.52 0.00 0.00 41.96 39.42 2nwn s TYR 34 CO 0.02 0.31 -0.24 0.50 0.02 0.00 0.00 175.55 176.16 2nwn s ARG 35 N -3.68 2.25 0.06 -0.62 3.52 -0.93 -0.40 118.95 119.16 2nwn s ARG 35 Ca 0.24 -0.86 -0.36 0.00 -0.13 0.00 0.00 55.73 54.62 2nwn s ARG 35 Cb 0.01 -2.00 -0.15 0.00 -1.56 0.00 0.00 34.95 31.25 2nwn s ARG 35 CO 0.08 0.42 1.50 0.54 -0.81 0.00 0.00 175.30 177.03 2nwn n ARG 36 N 2.80 1.56 0.00 5.12 1.74 0.70 -0.46 116.66 128.12 2nwn n ARG 36 Ca -0.17 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 2nwn n ARG 36 Cb 0.52 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 2nwn n ARG 36 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2nwn n SER 37 N 3.38 0.00 -3.19 0.55 7.64 -1.26 -4.95 113.62 115.80 2nwn n SER 37 Ca 0.19 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.90 2nwn n SER 37 Cb 0.22 -0.27 0.01 0.00 -1.01 0.00 0.00 64.21 63.17 2nwn n SER 37 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2nwn n VAL 38 N 0.22 -8.04 -3.93 0.44 0.31 0.39 -4.90 118.33 102.82 2nwn n VAL 38 Ca 0.00 0.32 -0.10 0.00 -0.01 0.00 0.00 64.34 64.55 2nwn n VAL 38 Cb 0.00 -5.68 -0.12 0.00 -0.91 0.00 0.00 33.84 27.12 2nwn n VAL 38 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2nwn s THR 39 N -2.46 0.06 0.38 2.52 -4.23 -1.11 -4.97 115.64 105.83 2nwn s THR 39 Ca 0.20 -0.49 -0.27 0.00 -1.18 0.00 0.00 61.69 59.95 2nwn s THR 39 Cb -0.04 -0.15 -0.09 0.00 1.34 0.00 0.00 72.50 73.56 2nwn s THR 39 CO 0.81 -0.27 1.32 -0.47 -0.54 0.00 0.00 174.62 175.47 2nwn s TYR 40 N -0.78 2.87 -0.02 3.99 5.04 -1.26 -2.19 117.35 124.99 2nwn s TYR 40 Ca -0.09 1.39 -0.06 0.00 -2.44 0.00 0.00 57.07 55.87 2nwn s TYR 40 Cb -0.05 -3.70 -0.02 0.00 0.35 0.00 0.00 41.96 38.54 2nwn s TYR 40 CO -0.01 -2.09 -0.12 0.28 -1.34 0.00 0.00 175.55 172.27 2nwn n VAL 41 N 0.34 1.07 -3.79 3.14 0.31 -0.46 -4.88 118.33 114.06 2nwn n VAL 41 Ca 0.02 0.28 -0.04 0.00 -0.01 0.00 0.00 64.34 64.59 2nwn n VAL 41 Cb 0.43 -1.78 -0.01 0.00 -0.91 0.00 0.00 33.84 31.56 2nwn n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nwn n GLY 43 N -0.49 1.18 2.98 0.00 0.00 -0.71 -1.75 105.19 106.39 2nwn n GLY 43 Ca -0.05 -2.11 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 2nwn n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nwn n GLY 44 N -2.10 1.14 2.82 -0.02 0.00 0.07 -3.76 105.19 103.34 2nwn n GLY 44 Ca 0.16 -1.19 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 2nwn n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nwn s SER 45 N -2.67 0.38 -0.37 1.61 0.01 -0.30 -1.09 113.70 111.27 2nwn s SER 45 Ca 0.13 -0.02 -0.29 0.00 1.31 0.00 0.00 55.95 57.08 2nwn s SER 45 Cb -0.04 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.01 2nwn s SER 45 CO 0.09 -0.10 1.18 -0.22 0.41 0.00 0.00 173.24 174.60 2nwn s LEU 46 N 0.97 3.80 -0.03 2.44 2.96 0.13 -0.68 118.68 128.26 2nwn s LEU 46 Ca -0.10 0.89 0.20 0.00 -0.22 0.00 0.00 54.13 54.90 2nwn s LEU 46 Cb -0.13 -3.54 -0.30 0.00 0.50 0.00 0.00 46.19 42.71 2nwn s LEU 46 CO -0.02 -1.10 0.47 2.30 -1.32 0.00 0.00 176.35 176.69 2nwn n ILE 47 N 6.37 0.00 -3.56 6.68 -5.35 -0.73 -0.45 119.36 122.32 2nwn n ILE 47 Ca 0.13 -0.43 -0.11 0.00 -0.27 0.00 0.00 62.75 62.07 2nwn n ILE 47 Cb 0.48 0.11 -0.03 0.00 -1.74 0.00 0.00 39.64 38.45 2nwn n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2nwn s SER 48 N -4.20 -0.37 0.32 7.28 1.04 -1.14 -4.61 113.70 112.02 2nwn s SER 48 Ca -0.06 -0.21 0.10 0.00 0.48 0.00 0.00 55.95 56.25 2nwn s SER 48 Cb 0.13 0.53 0.90 0.00 0.10 0.00 0.00 66.02 67.69 2nwn s SER 48 CO 0.83 -0.92 1.71 -0.65 0.98 0.00 0.00 173.24 175.19 2nwn h PRO 49 N 2.20 0.49 -0.03 4.02 0.11 -1.95 -1.54 132.00 135.31 2nwn h PRO 49 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2nwn h PRO 49 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2nwn h PRO 49 CO 0.42 0.32 -0.07 0.00 -0.21 0.00 0.00 178.00 178.47 2nwn s TRP 51 N -1.98 1.61 -0.08 0.00 0.52 -0.58 -1.11 118.94 117.32 2nwn s TRP 51 Ca 0.25 -0.59 0.02 0.00 0.02 0.00 0.00 56.10 55.80 2nwn s TRP 51 Cb 0.19 -1.15 -0.02 0.00 -1.15 0.00 0.00 33.47 31.33 2nwn s TRP 51 CO 0.33 -0.28 -0.15 0.08 0.02 0.00 0.00 176.95 176.95 2nwn s VAL 52 N 0.56 3.00 -0.06 4.03 1.01 -0.62 -1.77 120.40 126.54 2nwn s VAL 52 Ca -0.14 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2nwn s VAL 52 Cb -0.16 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2nwn s VAL 52 CO 0.04 0.57 -0.08 -0.51 0.00 0.00 0.00 175.10 175.12 2nwn s ILE 53 N -0.30 3.63 0.00 2.22 2.07 0.14 -0.68 121.20 128.28 2nwn s ILE 53 Ca 0.02 -0.51 0.00 0.00 -1.41 0.00 0.00 60.65 58.75 2nwn s ILE 53 Cb -0.13 -2.48 0.00 0.00 0.13 0.00 0.00 42.46 39.99 2nwn s ILE 53 CO 0.03 0.59 0.00 -0.24 -1.91 0.00 0.00 174.94 173.41 2nwn n SER 54 N 2.21 0.00 -4.46 4.50 2.88 0.11 -1.15 113.62 117.71 2nwn n SER 54 Ca -0.18 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.03 2nwn n SER 54 Cb 0.53 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.86 2nwn n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nwn s ALA 55 N -1.50 2.66 0.29 -1.46 0.00 -1.26 -0.63 121.76 119.85 2nwn s ALA 55 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2nwn s ALA 55 Cb 0.00 -0.99 0.44 0.00 0.00 0.00 0.00 23.12 22.56 2nwn s ALA 55 CO 0.00 0.52 1.80 1.15 0.00 0.00 0.00 175.76 179.23 2nwn h THR 56 N 4.47 1.23 -0.02 0.00 2.02 -1.74 -2.88 112.91 115.99 2nwn h THR 56 Ca -0.44 -0.96 0.01 0.00 0.77 0.00 0.00 66.41 65.79 2nwn h THR 56 Cb 1.16 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2nwn h THR 56 CO 0.51 0.33 0.06 1.12 0.37 0.00 0.00 175.52 177.91 2nwn h HIS 57 N 0.62 0.00 0.00 3.16 2.07 -1.93 0.57 115.15 119.64 2nwn h HIS 57 Ca 0.12 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.61 2nwn h HIS 57 Cb 0.43 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 2nwn h HIS 57 CO 0.02 0.00 -0.17 0.00 -3.07 0.00 0.00 177.93 174.71 2nwn n PHE 59 N -3.41 0.00 -0.39 0.00 3.72 -0.19 -4.83 117.46 112.36 2nwn n PHE 59 Ca -0.00 0.00 0.31 0.00 -0.05 0.00 0.00 57.45 57.71 2nwn n PHE 59 Cb 0.36 0.00 0.58 0.00 -0.94 0.00 0.00 39.48 39.49 2nwn n PHE 59 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 2nwn h ILE 60 N 0.00 0.24 0.00 4.37 6.09 -1.08 0.27 117.51 127.40 2nwn h ILE 60 Ca 0.00 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 2nwn h ILE 60 Cb 0.00 0.03 0.00 0.00 0.47 0.00 0.00 36.82 37.32 2nwn h ILE 60 CO 0.00 0.04 -0.26 0.44 -3.07 0.00 0.00 178.15 175.30 2nwn h ASP 60 N 0.20 0.00 -1.93 2.19 5.19 -1.87 -3.38 116.42 116.82 2nwn h ASP 60 Ca 0.75 -0.06 -0.54 0.00 -0.62 0.00 0.00 57.03 56.57 2nwn h ASP 60 Cb 2.15 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 41.28 2nwn h ASP 60 CO -0.43 0.03 -1.10 -1.22 -3.12 0.00 0.00 179.24 173.40 2nwn n TYR 60 N -2.45 -0.42 0.17 4.55 4.02 0.89 -4.99 117.16 118.93 2nwn n TYR 60 Ca 0.04 -3.52 0.11 0.00 -0.01 0.00 0.00 57.90 54.52 2nwn n TYR 60 Cb 0.47 -0.29 0.59 0.00 -0.02 0.00 0.00 39.34 40.09 2nwn n TYR 60 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2nwn h PRO 60 N 3.90 0.00 -6.15 -0.72 0.11 -1.62 -3.44 132.00 124.08 2nwn h PRO 60 Ca 0.07 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.60 2nwn h PRO 60 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 2nwn h PRO 60 CO 0.46 0.00 1.36 0.21 -0.21 0.00 0.00 178.00 179.82 2nwn s LYS 61 N -3.56 3.36 0.55 1.05 2.20 -1.26 -4.83 119.74 117.25 2nwn s LYS 61 Ca -0.02 1.84 0.37 0.00 -0.36 0.00 0.00 55.97 57.79 2nwn s LYS 61 Cb 0.06 -4.26 1.90 0.00 -1.51 0.00 0.00 37.83 34.02 2nwn s LYS 61 CO 0.20 -1.84 2.11 1.57 -0.36 0.00 0.00 175.35 177.03 2nwn h LYS 62 N 13.47 0.00 0.00 4.03 2.10 -1.90 -2.69 116.57 131.58 2nwn h LYS 62 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 2nwn h LYS 62 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2nwn h LYS 62 CO 0.99 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 179.37 2nwn h GLU 62 N 0.00 0.00 -0.16 0.07 4.39 -1.88 -3.02 114.58 113.98 2nwn h GLU 62 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2nwn h GLU 62 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2nwn h GLU 62 CO 0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 2nwn n ASP 63 N -2.97 1.68 -4.69 1.42 8.00 -1.01 -4.88 116.55 114.08 2nwn n ASP 63 Ca 0.01 -1.70 -0.32 0.00 0.71 0.00 0.00 54.79 53.50 2nwn n ASP 63 Cb 0.33 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.25 2nwn n ASP 63 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2nwn s TYR 64 N -1.80 3.05 -0.07 1.24 1.51 -1.14 0.25 117.35 120.40 2nwn s TYR 64 Ca 0.33 0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.44 2nwn s TYR 64 Cb 0.18 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 2nwn s TYR 64 CO 0.27 0.47 -0.07 0.42 -1.11 0.00 0.00 175.55 175.53 2nwn s ILE 65 N -1.19 0.78 -0.08 2.71 1.01 0.47 -4.12 121.20 120.78 2nwn s ILE 65 Ca 0.23 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.68 2nwn s ILE 65 Cb -0.12 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 2nwn s ILE 65 CO 0.14 0.29 -0.18 -0.69 0.00 0.00 0.00 174.94 174.50 2nwn s VAL 66 N 1.09 2.64 0.07 2.92 1.01 -0.79 0.22 120.40 127.55 2nwn s VAL 66 Ca -0.08 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.15 2nwn s VAL 66 Cb -0.14 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 2nwn s VAL 66 CO -0.01 0.56 -0.26 -0.31 0.00 0.00 0.00 175.10 175.08 2nwn s TYR 67 N -0.16 2.31 0.05 5.22 2.02 0.39 -0.14 117.35 127.04 2nwn s TYR 67 Ca -0.02 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.34 2nwn s TYR 67 Cb -0.14 -1.35 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 2nwn s TYR 67 CO 0.04 0.18 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.50 2nwn s LEU 68 N -1.46 2.19 -0.60 -1.29 1.43 -0.66 -1.31 118.68 116.99 2nwn s LEU 68 Ca 0.12 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2nwn s LEU 68 Cb -0.10 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.26 2nwn s LEU 68 CO 0.03 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.33 2nwn n GLY 69 N 1.72 0.42 3.42 -3.19 0.00 -1.23 -1.11 105.19 105.22 2nwn n GLY 69 Ca -0.18 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 2nwn n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2nwn s ARG 70 N -3.59 3.55 -0.01 1.61 3.52 -1.26 -4.05 118.95 118.71 2nwn s ARG 70 Ca 0.00 -0.57 0.15 0.00 -0.13 0.00 0.00 55.73 55.18 2nwn s ARG 70 Cb 0.00 -2.92 -0.20 0.00 -1.56 0.00 0.00 34.95 30.27 2nwn s ARG 70 CO 0.00 0.09 0.49 0.43 -0.81 0.00 0.00 175.30 175.51 2nwn n SER 71 N 3.96 1.07 -4.35 -2.12 7.64 -1.26 -4.65 113.62 113.91 2nwn n SER 71 Ca -0.18 -0.45 -0.28 0.00 1.01 0.00 0.00 58.87 58.97 2nwn n SER 71 Cb 0.52 1.34 -0.14 0.00 -1.01 0.00 0.00 64.21 64.92 2nwn n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2nwn s ARG 72 N -2.73 1.49 0.03 1.43 0.52 -1.26 -1.22 118.95 117.22 2nwn s ARG 72 Ca 0.00 -1.21 -0.26 0.00 -0.52 0.00 0.00 55.73 53.74 2nwn s ARG 72 Cb 0.11 -1.82 -0.17 0.00 0.52 0.00 0.00 34.95 33.58 2nwn s ARG 72 CO 0.63 0.45 1.42 1.25 0.02 0.00 0.00 175.30 179.06 2nwn h LEU 73 N 4.29 -0.34 -3.31 2.53 6.46 -0.72 -3.34 115.31 120.89 2nwn h LEU 73 Ca -0.48 -0.13 -0.10 0.00 -0.12 0.00 0.00 57.88 57.05 2nwn h LEU 73 Cb 1.16 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 41.12 2nwn h LEU 73 CO 0.41 -0.06 -0.02 0.59 -0.62 0.00 0.00 178.44 178.74 2nwn n ASN 74 N -5.17 3.13 -4.10 1.25 3.02 -1.26 -4.99 115.26 107.13 2nwn n ASN 74 Ca -0.10 -3.40 -0.14 0.00 -0.03 0.00 0.00 54.58 50.91 2nwn n ASN 74 Cb 0.24 -0.59 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 2nwn n ASN 74 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2nwn s SER 75 N -2.26 1.12 -0.91 6.41 0.01 -1.26 -5.11 113.70 111.71 2nwn s SER 75 Ca 0.43 -0.61 -0.20 0.00 1.31 0.00 0.00 55.95 56.88 2nwn s SER 75 Cb 0.37 0.02 0.11 0.00 0.21 0.00 0.00 66.02 66.72 2nwn s SER 75 CO 0.04 -0.19 1.17 0.20 0.41 0.00 0.00 173.24 174.87 2nwn s ASN 76 N -1.76 6.54 0.01 2.44 0.01 -1.26 -4.49 114.94 116.43 2nwn s ASN 76 Ca -0.06 -1.78 -0.34 0.00 -0.71 0.00 0.00 52.86 49.98 2nwn s ASN 76 Cb -0.09 -2.44 -0.12 0.00 0.41 0.00 0.00 41.25 39.02 2nwn s ASN 76 CO 0.01 -1.21 1.79 0.41 -1.51 0.00 0.00 177.10 176.59 2nwn n THR 77 N 5.82 0.40 -1.76 1.60 -1.04 -1.26 -4.88 114.28 113.16 2nwn n THR 77 Ca 0.22 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.05 61.75 2nwn n THR 77 Cb 0.49 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 2nwn n THR 77 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nwn n GLN 78 N 5.61 2.55 -0.48 -2.82 10.64 -1.26 -1.78 117.38 129.85 2nwn n GLN 78 Ca 0.20 0.90 0.00 0.00 -1.83 0.00 0.00 57.00 56.27 2nwn n GLN 78 Cb 0.31 -2.62 0.00 0.00 -0.86 0.00 0.00 30.24 27.06 2nwn n GLN 78 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2nwn n GLY 79 N 0.51 0.74 3.85 2.61 0.00 -1.26 -5.01 105.19 106.63 2nwn n GLY 79 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2nwn n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2nwn s GLU 80 N -0.52 3.14 -0.06 1.61 -1.05 -0.73 -4.84 118.70 116.25 2nwn s GLU 80 Ca 0.00 0.75 0.03 0.00 -0.15 0.00 0.00 54.97 55.60 2nwn s GLU 80 Cb 0.00 -2.03 0.01 0.00 -0.44 0.00 0.00 34.13 31.67 2nwn s GLU 80 CO 0.00 -0.90 -0.12 -1.64 0.95 0.00 0.00 175.26 173.54 2nwn s MET 81 N -5.17 1.60 -0.17 -4.83 -1.94 -0.26 -4.98 119.30 103.54 2nwn s MET 81 Ca 0.57 -0.42 -0.09 0.00 -1.71 0.00 0.00 55.69 54.04 2nwn s MET 81 Cb -0.12 -1.35 -0.05 0.00 2.01 0.00 0.00 34.83 35.32 2nwn s MET 81 CO 0.54 0.06 0.12 0.21 -0.01 0.00 0.00 175.02 175.94 2nwn s LYS 82 N 0.53 3.94 0.13 2.03 2.20 -1.26 -1.66 119.74 125.65 2nwn s LYS 82 Ca -0.12 -0.22 0.04 0.00 -0.36 0.00 0.00 55.97 55.32 2nwn s LYS 82 Cb -0.14 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 2nwn s LYS 82 CO 0.03 0.43 -0.10 -0.06 -0.36 0.00 0.00 175.35 175.29 2nwn s PHE 83 N -0.04 1.23 0.29 4.03 0.08 0.81 -4.58 117.98 119.79 2nwn s PHE 83 Ca 0.09 -0.73 0.07 0.00 0.12 0.00 0.00 56.93 56.49 2nwn s PHE 83 Cb -0.11 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 41.67 2nwn s PHE 83 CO -0.00 0.07 0.22 -1.21 -0.10 0.00 0.00 175.22 174.20 2nwn s GLU 84 N -3.50 2.79 -0.50 0.44 0.41 -0.52 -1.89 118.70 115.94 2nwn s GLU 84 Ca 0.14 -1.19 -0.17 0.00 -0.41 0.00 0.00 54.97 53.34 2nwn s GLU 84 Cb 0.01 -2.49 0.07 0.00 -1.78 0.00 0.00 34.13 29.94 2nwn s GLU 84 CO 0.01 0.26 0.50 0.08 -0.49 0.00 0.00 175.26 175.62 2nwn s VAL 85 N -2.22 5.08 0.14 2.63 1.01 -1.26 -2.14 120.40 123.63 2nwn s VAL 85 Ca 0.36 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 2nwn s VAL 85 Cb -0.07 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2nwn s VAL 85 CO 0.25 -0.71 1.46 -0.08 0.00 0.00 0.00 175.10 176.02 2nwn h GLU 86 N 8.87 0.93 -3.52 2.72 4.81 -0.64 -3.44 114.58 124.31 2nwn h GLU 86 Ca -0.28 -0.50 -0.29 0.00 -0.13 0.00 0.00 59.36 58.15 2nwn h GLU 86 Cb 1.10 0.03 -0.34 0.00 0.63 0.00 0.00 28.75 30.17 2nwn h GLU 86 CO 0.93 1.16 -0.72 -0.80 -0.73 0.00 0.00 179.01 178.85 2nwn s ASN 87 N -6.85 0.06 -0.33 1.04 0.02 -1.15 -4.97 114.94 102.77 2nwn s ASN 87 Ca -0.11 0.05 -0.00 0.00 -1.02 0.00 0.00 52.86 51.78 2nwn s ASN 87 Cb 0.11 -0.05 0.08 0.00 0.02 0.00 0.00 41.25 41.40 2nwn s ASN 87 CO 0.88 -0.12 0.04 -0.22 0.02 0.00 0.00 177.10 177.70 2nwn s LEU 88 N 1.03 4.32 -0.37 0.60 2.96 -1.26 0.22 118.68 126.18 2nwn s LEU 88 Ca -0.09 -1.64 -0.10 0.00 -0.22 0.00 0.00 54.13 52.08 2nwn s LEU 88 Cb -0.12 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.90 2nwn s LEU 88 CO -0.03 -0.34 0.18 -0.63 -1.32 0.00 0.00 176.35 174.21 2nwn s ILE 89 N 1.14 4.36 0.12 6.68 1.01 0.11 -4.99 121.20 129.62 2nwn s ILE 89 Ca 0.01 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 2nwn s ILE 89 Cb -0.20 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2nwn s ILE 89 CO -0.04 -0.23 0.32 -0.76 0.00 0.00 0.00 174.94 174.24 2nwn s LEU 90 N 1.51 4.29 -0.20 2.97 1.43 -1.26 -1.00 118.68 126.43 2nwn s LEU 90 Ca 0.01 0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 53.30 2nwn s LEU 90 Cb -0.19 -3.20 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 2nwn s LEU 90 CO 0.06 0.09 1.35 -2.28 0.23 0.00 0.00 176.35 175.79 2nwn s HIS 91 N -1.62 2.63 0.60 0.29 5.65 -1.18 -4.89 115.29 116.78 2nwn s HIS 91 Ca 0.39 0.84 0.29 0.00 0.25 0.00 0.00 55.06 56.83 2nwn s HIS 91 Cb -0.12 -3.71 1.56 0.00 -1.18 0.00 0.00 32.58 29.13 2nwn s HIS 91 CO 0.26 -2.05 1.97 0.87 -0.65 0.00 0.00 174.74 175.13 2nwn h LYS 92 N 8.91 0.00 -0.64 2.88 1.57 -1.93 -0.91 116.57 126.45 2nwn h LYS 92 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2nwn h LYS 92 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2nwn h LYS 92 CO 0.99 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.62 2nwn n ASP 93 N -3.64 3.93 -4.75 0.86 8.00 -1.26 -4.96 116.55 114.73 2nwn n ASP 93 Ca 0.05 -2.45 -0.40 0.00 0.71 0.00 0.00 54.79 52.71 2nwn n ASP 93 Cb 0.52 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 41.10 2nwn n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nwn n TYR 94 N 0.67 2.54 -4.12 1.24 9.36 -0.35 -4.63 117.16 121.87 2nwn n TYR 94 Ca 0.20 0.44 -0.16 0.00 3.32 0.00 0.00 57.90 61.70 2nwn n TYR 94 Cb 0.78 -2.42 -0.05 0.00 -0.63 0.00 0.00 39.34 37.02 2nwn n TYR 94 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2nwn s SER 95 N -0.61 1.09 0.00 2.98 1.04 -1.18 -4.97 113.70 112.05 2nwn s SER 95 Ca 0.64 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 55.52 2nwn s SER 95 Cb -0.44 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2nwn s SER 95 CO 0.55 -1.27 0.00 0.00 0.98 0.00 0.00 173.24 173.50 2nwn n ALA 96 N -0.58 0.00 -0.21 5.32 0.00 -1.26 -0.99 120.51 122.79 2nwn n ALA 96 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2nwn n ALA 96 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2nwn n ALA 96 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2nwn n LEU 97 N 0.00 0.00 -3.58 0.00 7.94 -1.26 -4.93 117.00 115.17 2nwn n LEU 97 Ca 0.00 0.14 -0.13 0.00 -1.11 0.00 0.00 56.01 54.90 2nwn n LEU 97 Cb 0.00 -0.21 -0.01 0.00 0.53 0.00 0.00 43.42 43.74 2nwn n LEU 97 CO 0.00 -0.04 -0.09 0.00 -1.11 0.00 0.00 177.39 176.15 2nwn n ALA 98 N 0.38 -1.45 0.00 1.96 0.00 -1.26 -4.95 120.51 115.20 2nwn n ALA 98 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2nwn n ALA 98 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2nwn n ALA 98 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2nwn n HIS 99 N -2.22 0.00 -3.90 0.00 8.25 -1.26 -4.96 115.22 111.14 2nwn n HIS 99 Ca -0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.10 2nwn n HIS 99 Cb 0.19 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.27 2nwn n HIS 99 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2nwn s HIS 100 N 0.00 3.51 -1.46 4.41 3.76 -0.16 -4.41 115.29 120.93 2nwn s HIS 100 Ca 0.00 0.25 -0.01 0.00 -0.15 0.00 0.00 55.06 55.15 2nwn s HIS 100 Cb 0.00 -1.76 0.01 0.00 1.11 0.00 0.00 32.58 31.94 2nwn s HIS 100 CO 0.00 0.55 0.30 0.09 -0.85 0.00 0.00 174.74 174.83 2nwn n ASN 101 N 0.04 0.01 -4.51 1.40 3.02 -1.26 -3.12 115.26 110.83 2nwn n ASN 101 Ca -0.05 -1.10 -0.44 0.00 -0.03 0.00 0.00 54.58 52.97 2nwn n ASN 101 Cb 0.52 -2.57 -0.00 0.00 -0.61 0.00 0.00 39.78 37.12 2nwn n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2nwn s ASP 102 N -4.34 6.97 -0.13 6.41 2.15 -1.26 -4.48 116.67 121.99 2nwn s ASP 102 Ca 0.03 -2.74 -0.15 0.00 0.43 0.00 0.00 52.55 50.11 2nwn s ASP 102 Cb -0.02 -2.48 0.04 0.00 -0.30 0.00 0.00 42.92 40.17 2nwn s ASP 102 CO 0.93 -0.93 0.41 -0.51 -0.17 0.00 0.00 175.17 174.90 2nwn s ILE 103 N 2.71 0.01 0.06 4.11 2.07 -1.26 -4.28 121.20 124.63 2nwn s ILE 103 Ca 0.47 -0.07 -0.10 0.00 -1.41 0.00 0.00 60.65 59.55 2nwn s ILE 103 Cb -0.00 -0.60 0.01 0.00 0.13 0.00 0.00 42.46 41.99 2nwn s ILE 103 CO 0.03 -0.04 0.22 0.00 -1.91 0.00 0.00 174.94 173.24 2nwn s ALA 104 N -0.04 -0.38 -0.05 1.50 0.00 0.20 -3.09 121.76 119.90 2nwn s ALA 104 Ca -0.02 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.62 2nwn s ALA 104 Cb -0.03 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 2nwn s ALA 104 CO 0.01 -0.44 -0.21 -0.51 0.00 0.00 0.00 175.76 174.61 2nwn s LEU 105 N -2.44 1.99 -0.20 0.00 1.43 -0.17 0.04 118.68 119.33 2nwn s LEU 105 Ca -0.00 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 2nwn s LEU 105 Cb 0.02 -1.15 0.03 0.00 0.03 0.00 0.00 46.19 45.12 2nwn s LEU 105 CO -0.07 0.20 -0.16 -0.76 0.23 0.00 0.00 176.35 175.79 2nwn s LEU 106 N -0.09 2.50 -0.21 1.79 1.02 0.14 0.08 118.68 123.91 2nwn s LEU 106 Ca -0.03 -0.88 -0.26 0.00 0.02 0.00 0.00 54.13 52.98 2nwn s LEU 106 Cb -0.12 -1.46 -0.00 0.00 0.02 0.00 0.00 46.19 44.62 2nwn s LEU 106 CO 0.03 -0.07 0.91 -0.75 0.02 0.00 0.00 176.35 176.48 2nwn s LYS 107 N 1.26 4.25 0.08 1.70 2.20 0.13 -1.59 119.74 127.76 2nwn s LYS 107 Ca 0.00 1.12 0.03 0.00 -0.36 0.00 0.00 55.97 56.76 2nwn s LYS 107 Cb -0.15 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 2nwn s LYS 107 CO -0.10 -0.49 0.08 0.96 -0.36 0.00 0.00 175.35 175.44 2nwn s ILE 108 N 2.71 4.54 -0.28 5.43 -4.36 -0.27 0.12 121.20 129.09 2nwn s ILE 108 Ca 0.39 -0.75 -0.19 0.00 -0.26 0.00 0.00 60.65 59.84 2nwn s ILE 108 Cb -0.16 -3.18 0.08 0.00 1.25 0.00 0.00 42.46 40.46 2nwn s ILE 108 CO 0.09 0.14 0.73 0.00 0.24 0.00 0.00 174.94 176.14 2nwn s ARG 109 N -2.35 0.72 0.96 0.37 1.70 -0.91 -4.53 118.95 114.90 2nwn s ARG 109 Ca 0.29 1.10 -0.14 0.00 -0.47 0.00 0.00 55.73 56.51 2nwn s ARG 109 Cb -0.12 0.22 0.17 0.00 -0.57 0.00 0.00 34.95 34.65 2nwn s ARG 109 CO 0.22 -0.13 1.17 -1.54 -1.08 0.00 0.00 175.30 173.94 2nwn s SER 110 N 1.18 3.12 0.50 -2.89 1.04 0.21 -1.43 113.70 115.42 2nwn s SER 110 Ca -0.06 0.77 0.18 0.00 0.48 0.00 0.00 55.95 57.32 2nwn s SER 110 Cb -0.05 -1.19 1.24 0.00 0.10 0.00 0.00 66.02 66.11 2nwn s SER 110 CO -0.13 -2.77 2.08 0.11 0.98 0.00 0.00 173.24 173.51 2nwn h LYS 110 N -1.65 0.00 0.00 4.02 1.57 -1.89 0.71 116.57 119.32 2nwn h LYS 110 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2nwn h LYS 110 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2nwn h LYS 110 CO 0.54 0.10 0.00 0.39 -0.57 0.00 0.00 179.45 179.90 2nwn n GLU 110 N -4.26 0.67 -2.73 3.15 4.71 -1.26 -4.84 120.64 116.07 2nwn n GLU 110 Ca -0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.01 2nwn n GLU 110 Cb 0.18 -1.43 0.02 0.00 -1.01 0.00 0.00 31.44 29.19 2nwn n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2nwn n GLY 110 N 0.31 0.13 3.31 0.62 0.00 0.25 -5.05 105.19 104.76 2nwn n GLY 110 Ca 0.14 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 2nwn n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nwn s ARG 110 N -5.23 1.24 0.19 1.61 0.52 -1.23 -4.79 118.95 111.25 2nwn s ARG 110 Ca 0.18 -1.55 -0.02 0.00 -0.52 0.00 0.00 55.73 53.82 2nwn s ARG 110 Cb -0.08 -0.91 0.04 0.00 0.52 0.00 0.00 34.95 34.52 2nwn s ARG 110 CO 0.23 0.12 0.26 0.00 0.02 0.00 0.00 175.30 175.93 2nwn s ALA 112 N -3.39 3.04 -0.26 0.00 0.00 -0.69 -4.81 121.76 115.66 2nwn s ALA 112 Ca 0.16 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.78 2nwn s ALA 112 Cb -0.01 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2nwn s ALA 112 CO 0.11 -0.27 0.01 -0.65 0.00 0.00 0.00 175.76 174.96 2nwn s GLN 113 N -2.63 3.17 0.62 0.00 -0.21 -1.26 -4.79 119.66 114.57 2nwn s GLN 113 Ca 0.60 -0.78 -0.18 0.00 0.02 0.00 0.00 55.36 55.02 2nwn s GLN 113 Cb -0.22 -3.17 -0.05 0.00 1.00 0.00 0.00 33.01 30.57 2nwn s GLN 113 CO 0.27 -0.34 0.78 -2.30 -2.12 0.00 0.00 175.29 171.58 2nwn n PRO 114 N 4.81 0.65 -1.16 2.91 -0.02 -1.26 -4.85 135.00 136.08 2nwn n PRO 114 Ca -0.16 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2nwn n PRO 114 Cb 0.49 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2nwn n PRO 114 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2nwn n SER 115 N -0.46 0.00 0.21 2.55 3.41 0.21 -4.93 113.62 114.61 2nwn n SER 115 Ca 0.13 -0.91 0.06 0.00 -0.26 0.00 0.00 58.87 57.88 2nwn n SER 115 Cb 0.48 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.88 2nwn n SER 115 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2nwn h ARG 116 N 0.00 0.00 -0.18 4.33 2.43 -1.99 -3.01 114.38 115.96 2nwn h ARG 116 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2nwn h ARG 116 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2nwn h ARG 116 CO 0.00 0.30 0.00 0.25 -1.51 0.00 0.00 179.97 179.01 2nwn n THR 117 N -3.90 0.34 -3.57 0.20 -2.24 -1.26 -4.69 114.28 99.16 2nwn n THR 117 Ca -0.02 -0.67 -0.28 0.00 -2.27 0.00 0.00 64.05 60.82 2nwn n THR 117 Cb 0.38 1.04 -0.16 0.00 -2.10 0.00 0.00 70.33 69.49 2nwn n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2nwn s ILE 118 N -1.18 -0.05 0.13 2.28 1.01 -1.14 -3.55 121.20 118.70 2nwn s ILE 118 Ca 0.23 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2nwn s ILE 118 Cb 0.14 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 2nwn s ILE 118 CO 0.20 -0.55 -0.00 -1.10 0.00 0.00 0.00 174.94 173.49 2nwn s GLN 119 N 2.10 0.95 0.41 2.79 -1.52 0.24 -0.62 119.66 124.01 2nwn s GLN 119 Ca 0.06 -1.44 0.02 0.00 -1.95 0.00 0.00 55.36 52.05 2nwn s GLN 119 Cb -0.16 -0.08 -0.01 0.00 -0.22 0.00 0.00 33.01 32.54 2nwn s GLN 119 CO -0.25 -0.14 0.61 0.95 -0.25 0.00 0.00 175.29 176.21 2nwn s THR 120 N -3.77 4.22 -0.08 -0.19 -4.23 -1.26 -2.58 115.64 107.74 2nwn s THR 120 Ca 0.20 -0.59 0.04 0.00 -1.18 0.00 0.00 61.69 60.16 2nwn s THR 120 Cb 0.06 -3.54 -0.01 0.00 1.34 0.00 0.00 72.50 70.36 2nwn s THR 120 CO 0.00 -0.34 -0.21 -0.51 -0.54 0.00 0.00 174.62 173.02 2nwn s ILE 121 N -2.44 2.41 0.54 2.99 1.10 0.40 -4.83 121.20 121.38 2nwn s ILE 121 Ca 0.46 -0.93 -0.20 0.00 -0.51 0.00 0.00 60.65 59.47 2nwn s ILE 121 Cb -0.10 -1.92 -0.05 0.00 0.15 0.00 0.00 42.46 40.53 2nwn s ILE 121 CO 0.36 0.56 1.20 0.00 -2.11 0.00 0.00 174.94 174.95 2nwn s ALA 122 N -0.04 2.73 0.31 1.50 0.00 -1.25 -4.58 121.76 120.42 2nwn s ALA 122 Ca -0.06 0.99 -0.02 0.00 0.00 0.00 0.00 51.96 52.87 2nwn s ALA 122 Cb -0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2nwn s ALA 122 CO 0.05 -0.96 0.54 -0.51 0.00 0.00 0.00 175.76 174.88 2nwn s LEU 123 N -3.66 4.04 0.84 0.00 1.43 -1.26 -1.32 118.68 118.75 2nwn s LEU 123 Ca 0.72 0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.26 2nwn s LEU 123 Cb -0.30 -3.40 0.10 0.00 0.03 0.00 0.00 46.19 42.62 2nwn s LEU 123 CO 0.34 -0.24 1.14 -2.84 0.23 0.00 0.00 176.35 174.98 2nwn s PRO 124 N -3.93 1.74 0.24 1.29 0.02 -1.26 -4.82 135.00 128.29 2nwn s PRO 124 Ca 0.41 0.30 -0.14 0.00 0.02 0.00 0.00 61.00 61.59 2nwn s PRO 124 Cb -0.10 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.43 2nwn s PRO 124 CO 0.33 -1.79 0.63 -1.12 -0.33 0.00 0.00 177.00 174.73 2nwn s SER 125 N -4.24 6.77 0.20 2.53 0.01 -1.26 -4.91 113.70 112.81 2nwn s SER 125 Ca 0.62 1.14 -0.32 0.00 1.31 0.00 0.00 55.95 58.70 2nwn s SER 125 Cb -0.13 -2.31 -0.15 0.00 0.21 0.00 0.00 66.02 63.64 2nwn s SER 125 CO 0.52 -0.06 1.14 0.23 0.41 0.00 0.00 173.24 175.47 2nwn n MET 126 N 0.11 1.25 -4.24 12.44 2.81 -1.26 -1.74 117.12 126.48 2nwn n MET 126 Ca -0.00 0.44 -0.35 0.00 -1.81 0.00 0.00 57.70 55.98 2nwn n MET 126 Cb 0.52 -1.91 -0.04 0.00 -0.71 0.00 0.00 33.22 31.07 2nwn n MET 126 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2nwn n TYR 127 N 1.23 -1.56 -3.72 2.03 4.02 0.18 -4.91 117.16 114.42 2nwn n TYR 127 Ca 0.14 0.75 -0.30 0.00 -0.01 0.00 0.00 57.90 58.48 2nwn n TYR 127 Cb 0.27 -2.90 -0.14 0.00 -0.02 0.00 0.00 39.34 36.55 2nwn n TYR 127 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2nwn s ASN 128 N -3.64 3.79 0.22 7.72 2.47 -0.71 -5.11 114.94 119.67 2nwn s ASN 128 Ca 0.52 -2.30 0.11 0.00 0.42 0.00 0.00 52.86 51.61 2nwn s ASN 128 Cb -0.29 -0.99 -0.05 0.00 -1.45 0.00 0.00 41.25 38.47 2nwn s ASN 128 CO 0.95 -0.32 -0.22 -1.81 -3.72 0.00 0.00 177.10 171.98 2nwn s ASP 129 N 0.78 3.39 0.86 -4.21 1.01 -1.26 -4.41 116.67 112.83 2nwn s ASP 129 Ca 0.15 -0.92 -0.13 0.00 0.71 0.00 0.00 52.55 52.37 2nwn s ASP 129 Cb -0.22 -0.26 0.07 0.00 1.01 0.00 0.00 42.92 43.52 2nwn s ASP 129 CO -0.07 0.08 0.87 -2.65 0.21 0.00 0.00 175.17 173.61 2nwn n PRO 130 N 0.01 -0.09 -2.38 8.23 -0.02 -1.26 -4.92 135.00 134.56 2nwn n PRO 130 Ca -0.10 0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 61.05 2nwn n PRO 130 Cb 0.57 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 2nwn n PRO 130 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2nwn s GLN 131 N -3.92 3.92 0.53 -0.52 0.74 -1.26 -4.94 119.66 114.22 2nwn s GLN 131 Ca 0.66 1.65 -0.22 0.00 0.05 0.00 0.00 55.36 57.51 2nwn s GLN 131 Cb -0.26 -2.45 -0.06 0.00 1.10 0.00 0.00 33.01 31.34 2nwn s GLN 131 CO 0.58 -0.38 1.22 1.19 -0.55 0.00 0.00 175.29 177.35 2nwn n PHE 132 N -0.34 1.81 0.00 1.67 3.01 -1.26 -1.82 117.46 120.53 2nwn n PHE 132 Ca 0.06 0.46 0.00 0.00 1.01 0.00 0.00 57.45 58.98 2nwn n PHE 132 Cb 0.49 -2.30 0.00 0.00 -0.01 0.00 0.00 39.48 37.66 2nwn n PHE 132 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2nwn n GLY 133 N 0.94 1.56 3.77 1.37 0.00 0.54 -4.96 105.19 108.41 2nwn n GLY 133 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2nwn n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nwn s THR 134 N -2.34 2.85 -0.21 2.61 2.01 -0.75 -4.64 115.64 115.15 2nwn s THR 134 Ca 0.00 0.65 -0.13 0.00 0.31 0.00 0.00 61.69 62.52 2nwn s THR 134 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 2nwn s THR 134 CO 0.00 0.00 0.28 -0.44 -0.69 0.00 0.00 174.62 173.77 2nwn s SER 135 N -1.21 6.29 0.39 3.53 0.01 -1.26 -1.37 113.70 120.08 2nwn s SER 135 Ca 0.64 0.33 0.05 0.00 1.31 0.00 0.00 55.95 58.28 2nwn s SER 135 Cb -0.32 -2.17 -0.06 0.00 0.21 0.00 0.00 66.02 63.68 2nwn s SER 135 CO 0.39 0.01 0.04 0.00 0.41 0.00 0.00 173.24 174.09 2nwn s GLU 137 N -3.80 2.17 -0.02 0.00 2.02 0.61 -2.35 118.70 117.34 2nwn s GLU 137 Ca 0.30 -0.99 0.04 0.00 0.02 0.00 0.00 54.97 54.34 2nwn s GLU 137 Cb 0.08 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 2nwn s GLU 137 CO 0.15 0.52 -0.12 0.96 0.02 0.00 0.00 175.26 176.78 2nwn s ILE 138 N -1.18 1.01 0.04 -1.63 -4.36 -0.70 0.26 121.20 114.64 2nwn s ILE 138 Ca 0.21 -0.52 0.06 0.00 -0.26 0.00 0.00 60.65 60.13 2nwn s ILE 138 Cb -0.11 -0.86 -0.02 0.00 1.25 0.00 0.00 42.46 42.71 2nwn s ILE 138 CO 0.13 0.29 -0.17 -0.89 0.24 0.00 0.00 174.94 174.55 2nwn s THR 139 N -0.12 1.34 0.00 8.37 2.01 -1.20 -1.60 115.64 124.44 2nwn s THR 139 Ca 0.02 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 60.92 2nwn s THR 139 Cb -0.07 -1.19 0.00 0.00 0.01 0.00 0.00 72.50 71.25 2nwn s THR 139 CO 0.00 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 2nwn n GLY 140 N 1.85 0.40 1.41 4.40 0.00 -0.49 -4.38 105.19 108.38 2nwn n GLY 140 Ca -0.18 -0.96 0.09 0.00 0.00 0.00 0.00 46.02 44.97 2nwn n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2nwn n PHE 141 N -0.32 1.34 -0.57 1.61 3.72 -1.26 -2.26 117.46 119.72 2nwn n PHE 141 Ca 0.00 -0.64 -0.28 0.00 -0.05 0.00 0.00 57.45 56.47 2nwn n PHE 141 Cb 0.00 -0.25 0.26 0.00 -0.94 0.00 0.00 39.48 38.55 2nwn n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2nwn s GLY 142 N -1.05 1.52 0.63 1.37 0.00 -1.25 -3.87 107.32 104.66 2nwn s GLY 142 Ca 0.47 -0.27 -0.18 0.00 0.00 0.00 0.00 44.72 44.75 2nwn s GLY 142 CO 0.21 0.50 0.99 0.28 0.00 0.00 0.00 173.10 175.08 2nwn n LYS 143 N -4.99 0.85 0.05 2.90 5.02 -0.03 -2.64 118.16 119.31 2nwn n LYS 143 Ca 0.04 0.33 0.11 0.00 -2.02 0.00 0.00 58.31 56.77 2nwn n LYS 143 Cb 0.55 -2.21 -0.03 0.00 -0.02 0.00 0.00 35.03 33.32 2nwn n LYS 143 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2nwn n GLU 144 N -1.25 0.49 -3.83 1.97 1.02 -1.26 -0.82 120.64 116.96 2nwn n GLU 144 Ca 0.14 -0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.16 2nwn n GLU 144 Cb 0.48 -1.66 -0.12 0.00 -0.02 0.00 0.00 31.44 30.12 2nwn n GLU 144 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2nwn s GLN 145 N -3.33 0.29 0.30 3.49 -0.21 -1.26 -4.15 119.66 114.78 2nwn s GLN 145 Ca -0.01 0.03 -0.00 0.00 0.02 0.00 0.00 55.36 55.40 2nwn s GLN 145 Cb 0.13 0.13 0.50 0.00 1.00 0.00 0.00 33.01 34.76 2nwn s GLN 145 CO 0.82 -0.05 1.93 0.77 -2.12 0.00 0.00 175.29 176.63 2nwn h SER 146 N 5.36 0.93 1.19 5.90 0.02 -1.91 -1.39 113.55 123.64 2nwn h SER 146 Ca -0.27 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2nwn h SER 146 Cb 1.20 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2nwn h SER 146 CO 0.40 0.62 0.00 0.35 -1.14 0.00 0.00 176.83 177.06 2nwn n THR 147 N -4.46 0.68 -1.73 -2.27 -2.24 -1.26 -4.86 114.28 98.14 2nwn n THR 147 Ca 0.13 -0.09 -0.38 0.00 -2.27 0.00 0.00 64.05 61.44 2nwn n THR 147 Cb 0.15 -0.81 0.05 0.00 -2.10 0.00 0.00 70.33 67.61 2nwn n THR 147 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2nwn n ASP 148 N -2.26 2.48 -0.01 3.42 9.92 -0.53 -4.90 116.55 124.68 2nwn n ASP 148 Ca 0.04 0.96 0.09 0.00 -0.53 0.00 0.00 54.79 55.35 2nwn n ASP 148 Cb 0.35 -1.56 -0.13 0.00 -0.64 0.00 0.00 41.12 39.15 2nwn n ASP 148 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nwn n TYR 149 N -1.14 0.00 -4.21 1.24 4.19 -1.26 -4.96 117.16 111.01 2nwn n TYR 149 Ca 0.11 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.09 2nwn n TYR 149 Cb 0.45 -0.27 -0.06 0.00 0.49 0.00 0.00 39.34 39.95 2nwn n TYR 149 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 2nwn s LEU 150 N -3.76 3.40 0.06 2.98 1.43 -1.26 -5.13 118.68 116.40 2nwn s LEU 150 Ca -0.02 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2nwn s LEU 150 Cb 0.12 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 2nwn s LEU 150 CO 0.73 -0.04 0.22 -0.31 0.23 0.00 0.00 176.35 177.18 2nwn s TYR 151 N -2.27 3.52 0.68 0.29 2.02 -1.26 -4.64 117.35 115.69 2nwn s TYR 151 Ca 0.33 0.29 -0.16 0.00 -0.37 0.00 0.00 57.07 57.16 2nwn s TYR 151 Cb -0.07 -1.79 0.01 0.00 -0.40 0.00 0.00 41.96 39.72 2nwn s TYR 151 CO 0.22 0.59 1.18 -1.25 -1.57 0.00 0.00 175.55 174.71 2nwn s PRO 152 N -2.44 2.53 0.05 -1.71 0.04 -1.25 -4.95 135.00 127.26 2nwn s PRO 152 Ca 0.34 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.09 2nwn s PRO 152 Cb -0.13 -1.89 -0.24 0.00 0.04 0.00 0.00 34.50 32.28 2nwn s PRO 152 CO 0.26 -1.51 1.02 1.49 0.04 0.00 0.00 177.00 178.30 2nwn h GLU 153 N 0.09 0.11 -5.70 4.56 4.57 -1.96 -3.42 114.58 112.82 2nwn h GLU 153 Ca -0.48 -0.19 -0.66 0.00 -1.18 0.00 0.00 59.36 56.85 2nwn h GLU 153 Cb 1.28 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.87 2nwn h GLU 153 CO 0.52 0.97 -0.44 -1.14 -1.18 0.00 0.00 179.01 177.73 2nwn s GLN 154 N -2.65 3.50 0.52 1.92 2.00 -1.26 -0.05 119.66 123.64 2nwn s GLN 154 Ca -0.04 -0.07 -0.23 0.00 -2.00 0.00 0.00 55.36 53.03 2nwn s GLN 154 Cb 0.08 -3.19 -0.06 0.00 0.80 0.00 0.00 33.01 30.64 2nwn s GLN 154 CO 0.84 0.76 1.38 -0.11 -0.50 0.00 0.00 175.29 177.66 2nwn n LEU 155 N 1.90 5.37 -4.28 3.68 7.94 -0.35 -4.88 117.00 126.37 2nwn n LEU 155 Ca -0.19 1.02 -0.15 0.00 -1.11 0.00 0.00 56.01 55.58 2nwn n LEU 155 Cb 0.55 -1.58 -0.10 0.00 0.53 0.00 0.00 43.42 42.81 2nwn n LEU 155 CO 0.33 -0.46 -0.37 -0.54 -1.11 0.00 0.00 177.39 175.23 2nwn s LYS 156 N -2.74 1.17 0.05 1.96 1.02 -0.96 -1.03 119.74 119.22 2nwn s LYS 156 Ca 0.68 -1.55 -0.16 0.00 0.02 0.00 0.00 55.97 54.96 2nwn s LYS 156 Cb -0.43 -0.58 0.03 0.00 -0.52 0.00 0.00 37.83 36.33 2nwn s LYS 156 CO 0.52 -0.01 0.37 0.00 -0.92 0.00 0.00 175.35 175.30 2nwn s MET 157 N -3.81 0.90 0.36 1.68 0.23 -0.50 -1.40 119.30 116.76 2nwn s MET 157 Ca 0.22 -0.47 -0.09 0.00 -1.03 0.00 0.00 55.69 54.33 2nwn s MET 157 Cb 0.04 0.40 0.03 0.00 -1.53 0.00 0.00 34.83 33.77 2nwn s MET 157 CO 0.04 -0.31 0.62 -0.08 -2.03 0.00 0.00 175.02 173.26 2nwn s THR 158 N -2.70 0.00 -0.07 3.16 -1.32 -0.63 -1.29 115.64 112.79 2nwn s THR 158 Ca -0.04 -1.31 0.05 0.00 -1.21 0.00 0.00 61.69 59.17 2nwn s THR 158 Cb -0.00 -2.73 -0.01 0.00 -1.51 0.00 0.00 72.50 68.25 2nwn s THR 158 CO -0.04 0.00 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.46 2nwn s VAL 159 N -2.75 2.31 0.08 5.08 1.01 -1.26 -1.72 120.40 123.14 2nwn s VAL 159 Ca 0.23 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2nwn s VAL 159 Cb -0.03 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2nwn s VAL 159 CO 0.16 0.57 -0.08 0.68 0.00 0.00 0.00 175.10 176.42 2nwn s VAL 160 N -0.10 0.77 -0.13 2.92 -7.23 -0.99 -4.78 120.40 110.86 2nwn s VAL 160 Ca -0.05 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 58.47 2nwn s VAL 160 Cb -0.14 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 2nwn s VAL 160 CO 0.04 -0.63 0.02 -0.54 -0.31 0.00 0.00 175.10 173.69 2nwn s LYS 161 N -2.87 3.45 0.27 4.82 1.02 0.94 -1.74 119.74 125.63 2nwn s LYS 161 Ca 0.04 -0.39 -0.30 0.00 0.02 0.00 0.00 55.97 55.34 2nwn s LYS 161 Cb -0.02 -2.97 -0.12 0.00 -0.52 0.00 0.00 37.83 34.20 2nwn s LYS 161 CO -0.02 0.49 1.51 1.28 -0.92 0.00 0.00 175.35 177.69 2nwn n LEU 162 N 2.82 3.79 -4.41 3.17 4.32 -0.47 -1.56 117.00 124.65 2nwn n LEU 162 Ca -0.18 1.15 -0.33 0.00 -0.02 0.00 0.00 56.01 56.63 2nwn n LEU 162 Cb 0.53 -1.52 -0.14 0.00 -1.62 0.00 0.00 43.42 40.67 2nwn n LEU 162 CO 0.32 -0.15 -0.47 -0.63 -1.22 0.00 0.00 177.39 175.24 2nwn s ILE 163 N -0.05 2.89 0.53 -0.08 1.01 -0.22 -0.34 121.20 124.95 2nwn s ILE 163 Ca 0.66 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 60.33 2nwn s ILE 163 Cb -0.56 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 2nwn s ILE 163 CO 0.49 0.57 1.26 -0.94 0.00 0.00 0.00 174.94 176.32 2nwn s SER 164 N -0.31 5.55 0.47 3.58 1.04 -1.26 -4.16 113.70 118.61 2nwn s SER 164 Ca 0.02 2.53 0.14 0.00 0.48 0.00 0.00 55.95 59.12 2nwn s SER 164 Cb -0.13 -2.62 1.09 0.00 0.10 0.00 0.00 66.02 64.47 2nwn s SER 164 CO 0.03 -1.36 2.07 -0.74 0.98 0.00 0.00 173.24 174.21 2nwn h HIS 165 N 1.52 0.08 -0.67 5.02 2.76 -1.96 -1.45 115.15 120.44 2nwn h HIS 165 Ca -0.50 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 57.59 2nwn h HIS 165 Cb 1.28 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 30.19 2nwn h HIS 165 CO 0.48 0.13 0.10 -0.09 -1.30 0.00 0.00 177.93 177.26 2nwn h ARG 166 N 0.08 1.11 -0.01 5.26 2.43 -1.98 0.15 114.38 121.41 2nwn h ARG 166 Ca 0.02 -0.30 -0.21 0.00 -0.81 0.00 0.00 59.98 58.68 2nwn h ARG 166 Cb 0.13 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2nwn h ARG 166 CO 0.01 1.01 -0.90 1.49 -1.51 0.00 0.00 179.97 180.07 2nwn h GLU 167 N 1.03 0.36 0.00 0.20 4.81 -1.77 -3.14 114.58 116.06 2nwn h GLU 167 Ca 0.20 -0.38 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 2nwn h GLU 167 Cb 0.45 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2nwn h GLU 167 CO 0.01 1.06 -0.29 0.00 -0.73 0.00 0.00 179.01 179.06 2nwn h GLN 169 N 0.00 0.00 -6.45 0.00 4.15 -0.67 -2.58 115.11 109.56 2nwn h GLN 169 Ca -0.00 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.83 2nwn h GLN 169 Cb 1.06 0.00 0.16 0.00 0.21 0.00 0.00 27.48 28.91 2nwn h GLN 169 CO 0.04 0.34 -0.36 1.04 -1.93 0.00 0.00 178.83 177.96 2nwn n GLN 170 N -3.64 0.60 -0.13 1.69 6.02 -1.15 -2.43 117.38 118.33 2nwn n GLN 170 Ca -0.01 0.23 -0.08 0.00 -0.01 0.00 0.00 57.00 57.13 2nwn n GLN 170 Cb 0.45 -1.66 -0.00 0.00 1.02 0.00 0.00 30.24 30.05 2nwn n GLN 170 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2nwn h PRO 170 N 0.53 0.56 0.00 -1.09 0.11 -1.88 0.34 132.00 130.58 2nwn h PRO 170 Ca -0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2nwn h PRO 170 Cb 1.39 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2nwn h PRO 170 CO 0.49 0.45 0.00 -2.39 -0.21 0.00 0.00 178.00 176.34 2nwn n HIS 170 N -4.73 0.00 0.00 0.65 1.44 -1.26 -4.05 115.22 107.27 2nwn n HIS 170 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2nwn n HIS 170 Cb 0.08 -0.36 0.00 0.00 0.12 0.00 0.00 29.99 29.83 2nwn n HIS 170 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2nwn n TYR 171 N -1.36 0.00 0.63 -1.40 4.02 -0.78 -4.80 117.16 113.48 2nwn n TYR 171 Ca 0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.98 2nwn n TYR 171 Cb 0.04 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.43 2nwn n TYR 171 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2nwn n TYR 172 N 0.00 0.00 -0.11 -0.72 4.01 -0.97 -4.91 117.16 114.46 2nwn n TYR 172 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2nwn n TYR 172 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2nwn n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nwn n GLY 173 N 0.85 3.37 0.87 2.72 0.00 0.11 -1.76 105.19 111.36 2nwn n GLY 173 Ca 0.09 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2nwn n GLY 173 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2nwn n SER 174 N 5.06 2.64 0.32 1.61 7.64 -1.26 -4.05 113.62 125.57 2nwn n SER 174 Ca 0.00 -1.86 0.19 0.00 1.01 0.00 0.00 58.87 58.21 2nwn n SER 174 Cb 0.00 -0.11 1.05 0.00 -1.01 0.00 0.00 64.21 64.14 2nwn n SER 174 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2nwn h GLU 175 N 3.70 0.00 -5.60 1.43 5.08 -1.70 -3.39 114.58 114.10 2nwn h GLU 175 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 2nwn h GLU 175 Cb 0.80 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.94 2nwn h GLU 175 CO 0.00 0.01 -0.54 0.14 -1.00 0.00 0.00 179.01 177.62 2nwn s VAL 176 N -4.32 5.03 0.46 3.13 -7.23 -1.26 -4.62 120.40 111.58 2nwn s VAL 176 Ca -0.05 0.04 0.03 0.00 -1.81 0.00 0.00 61.98 60.19 2nwn s VAL 176 Cb 0.14 -3.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 2nwn s VAL 176 CO 0.48 0.56 0.02 0.42 -0.31 0.00 0.00 175.10 176.27 2nwn s THR 177 N -0.53 1.34 -0.45 5.32 -4.23 -1.26 -4.90 115.64 110.93 2nwn s THR 177 Ca 0.11 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.81 2nwn s THR 177 Cb -0.12 -2.47 0.19 0.00 1.34 0.00 0.00 72.50 71.45 2nwn s THR 177 CO 0.02 0.00 1.58 0.35 -0.54 0.00 0.00 174.62 176.03 2nwn n THR 178 N -1.10 1.08 1.18 3.99 -2.24 -1.26 -0.18 114.28 115.75 2nwn n THR 178 Ca -0.12 0.50 0.09 0.00 -2.27 0.00 0.00 64.05 62.25 2nwn n THR 178 Cb 0.67 -1.46 0.32 0.00 -2.10 0.00 0.00 70.33 67.76 2nwn n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2nwn n LYS 179 N -2.10 1.71 -4.34 -0.78 5.02 -1.26 -4.85 118.16 111.55 2nwn n LYS 179 Ca 0.00 -1.07 -0.23 0.00 -2.02 0.00 0.00 58.31 54.99 2nwn n LYS 179 Cb 0.11 -1.35 -0.12 0.00 -0.02 0.00 0.00 35.03 33.65 2nwn n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2nwn s MET 180 N -1.73 1.29 -0.06 1.97 -1.94 0.74 -1.88 119.30 117.68 2nwn s MET 180 Ca 0.29 -1.38 0.03 0.00 -1.71 0.00 0.00 55.69 52.92 2nwn s MET 180 Cb 0.16 -1.43 0.01 0.00 2.01 0.00 0.00 34.83 35.58 2nwn s MET 180 CO 0.23 0.30 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.87 2nwn s LEU 181 N -2.53 1.80 0.10 -0.03 1.43 0.86 -4.77 118.68 115.53 2nwn s LEU 181 Ca 0.15 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2nwn s LEU 181 Cb -0.07 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 2nwn s LEU 181 CO 0.07 0.09 0.25 0.00 0.23 0.00 0.00 176.35 176.99 2nwn s ALA 183 N -1.60 -1.31 0.16 0.00 0.00 -0.46 -1.05 121.76 117.48 2nwn s ALA 183 Ca 0.35 1.23 -0.24 0.00 0.00 0.00 0.00 51.96 53.30 2nwn s ALA 183 Cb -0.12 -0.49 0.07 0.00 0.00 0.00 0.00 23.12 22.58 2nwn s ALA 183 CO 0.28 -0.28 1.02 0.00 0.00 0.00 0.00 175.76 176.78 2nwn s ALA 184 N -0.37 -1.66 -0.05 0.00 0.00 -0.60 -0.93 121.76 118.14 2nwn s ALA 184 Ca -0.05 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.71 2nwn s ALA 184 Cb -0.03 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 2nwn s ALA 184 CO 0.03 -1.05 0.40 0.34 0.00 0.00 0.00 175.76 175.48 2nwn s ASP 185 N -3.16 6.72 0.58 0.00 2.15 -1.26 -0.04 116.67 121.66 2nwn s ASP 185 Ca 0.17 0.86 0.28 0.00 0.43 0.00 0.00 52.55 54.28 2nwn s ASP 185 Cb -0.01 -2.24 1.59 0.00 -0.30 0.00 0.00 42.92 41.95 2nwn s ASP 185 CO 0.03 0.24 2.07 1.55 -0.17 0.00 0.00 175.17 178.89 2nwn h PRO 185 N 5.36 0.00 -0.19 4.34 0.13 -1.95 0.28 132.00 139.98 2nwn h PRO 185 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2nwn h PRO 185 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2nwn h PRO 185 CO 0.66 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.47 2nwn n GLN 185 N -3.89 2.01 -2.52 0.86 1.13 -1.26 -4.96 117.38 108.75 2nwn n GLN 185 Ca 0.03 -1.89 -0.16 0.00 -1.94 0.00 0.00 57.00 53.05 2nwn n GLN 185 Cb 0.38 -1.40 -0.00 0.00 0.11 0.00 0.00 30.24 29.33 2nwn n GLN 185 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 2nwn n TRP 186 N 1.15 -1.36 0.16 1.08 7.02 0.98 -4.85 117.44 121.61 2nwn n TRP 186 Ca 0.14 0.05 0.10 0.00 -1.02 0.00 0.00 57.50 56.77 2nwn n TRP 186 Cb 0.51 -3.16 0.08 0.00 -2.42 0.00 0.00 31.31 26.32 2nwn n TRP 186 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 2nwn h LYS 187 N -0.13 0.00 -4.13 -0.99 2.10 -1.86 -3.42 116.57 108.14 2nwn h LYS 187 Ca -0.36 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.14 2nwn h LYS 187 Cb 1.27 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 32.42 2nwn h LYS 187 CO 0.43 0.07 -0.69 -0.08 -2.00 0.00 0.00 179.45 177.18 2nwn s THR 188 N -3.22 0.18 0.00 0.07 -1.32 -1.26 -4.48 115.64 105.61 2nwn s THR 188 Ca 0.04 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.11 2nwn s THR 188 Cb 0.07 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 2nwn s THR 188 CO 0.73 -0.77 0.00 -0.67 -2.21 0.00 0.00 174.62 171.69 2nwn n ASP 189 N 0.78 0.00 -4.91 8.08 2.03 -0.97 -4.10 116.55 117.45 2nwn n ASP 189 Ca -0.18 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.86 2nwn n ASP 189 Cb 0.58 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.99 2nwn n ASP 189 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2nwn s SER 190 N 0.00 5.99 0.03 1.67 1.04 -1.26 0.34 113.70 121.51 2nwn s SER 190 Ca 0.00 0.81 -0.00 0.00 0.48 0.00 0.00 55.95 57.23 2nwn s SER 190 Cb 0.00 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2nwn s SER 190 CO 0.00 -0.76 0.05 0.00 0.98 0.00 0.00 173.24 173.50 2nwn n GLN 192 N -0.05 2.17 0.00 0.00 7.27 -1.26 -1.34 117.38 124.16 2nwn n GLN 192 Ca 0.00 0.77 0.00 0.00 0.07 0.00 0.00 57.00 57.84 2nwn n GLN 192 Cb 0.05 -2.47 0.00 0.00 2.41 0.00 0.00 30.24 30.24 2nwn n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2nwn n GLY 193 N 2.37 2.00 0.09 1.69 0.00 -1.26 -0.85 105.19 109.23 2nwn n GLY 193 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 2nwn n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nwn n ASP 194 N 0.00 0.81 -4.61 1.61 8.00 -0.45 -3.83 116.55 118.08 2nwn n ASP 194 Ca 0.00 -0.61 -0.40 0.00 0.71 0.00 0.00 54.79 54.49 2nwn n ASP 194 Cb 0.00 0.37 0.03 0.00 -0.02 0.00 0.00 41.12 41.49 2nwn n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2nwn n SER 195 N -1.20 1.08 0.00 -2.24 7.64 -1.26 -1.43 113.62 116.21 2nwn n SER 195 Ca 0.07 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2nwn n SER 195 Cb 0.35 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 2nwn n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nwn n GLY 196 N 1.22 2.73 3.79 0.23 0.00 0.26 -1.74 105.19 111.67 2nwn n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2nwn n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nwn s GLY 197 N -1.74 1.63 0.19 -0.02 0.00 -0.51 -3.33 107.32 103.54 2nwn s GLY 197 Ca 0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 44.72 44.32 2nwn s GLY 197 CO 0.00 0.29 0.84 2.56 0.00 0.00 0.00 173.10 176.79 2nwn s PRO 198 N -5.09 4.68 -0.34 2.90 0.04 -1.26 -0.26 135.00 135.66 2nwn s PRO 198 Ca 0.61 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 2nwn s PRO 198 Cb -0.15 -3.27 0.06 0.00 0.04 0.00 0.00 34.50 31.17 2nwn s PRO 198 CO 0.55 0.55 0.10 -1.17 0.04 0.00 0.00 177.00 177.07 2nwn s LEU 199 N -1.13 4.40 -0.20 -3.56 2.96 0.48 -3.24 118.68 118.40 2nwn s LEU 199 Ca 0.38 -1.34 -0.05 0.00 -0.22 0.00 0.00 54.13 52.90 2nwn s LEU 199 Cb -0.24 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 2nwn s LEU 199 CO 0.28 -0.36 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.26 2nwn s VAL 200 N 1.32 3.85 0.19 1.68 1.01 0.14 -1.79 120.40 126.81 2nwn s VAL 200 Ca -0.01 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.72 2nwn s VAL 200 Cb -0.20 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2nwn s VAL 200 CO 0.01 0.43 -0.20 0.00 0.00 0.00 0.00 175.10 175.33 2nwn s SER 202 N -2.83 6.47 -0.18 0.00 0.15 -1.26 0.83 113.70 116.88 2nwn s SER 202 Ca 0.20 0.56 -0.01 0.00 0.70 0.00 0.00 55.95 57.40 2nwn s SER 202 Cb -0.06 -2.27 0.05 0.00 -1.71 0.00 0.00 66.02 62.03 2nwn s SER 202 CO 0.09 -0.20 -0.01 -0.76 1.20 0.00 0.00 173.24 173.55 2nwn s LEU 203 N 1.87 1.53 -1.59 3.45 1.43 -0.52 -4.78 118.68 120.08 2nwn s LEU 203 Ca 0.21 -0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2nwn s LEU 203 Cb -0.15 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.27 2nwn s LEU 203 CO 0.09 -0.24 0.05 0.00 0.23 0.00 0.00 176.35 176.48 2nwn n GLN 204 N 4.93 -1.77 -2.37 1.70 6.02 -1.26 -2.62 117.38 122.01 2nwn n GLN 204 Ca -0.10 0.91 -0.00 0.00 -0.01 0.00 0.00 57.00 57.79 2nwn n GLN 204 Cb 0.47 -5.46 0.00 0.00 1.02 0.00 0.00 30.24 26.27 2nwn n GLN 204 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nwn n GLY 205 N -1.06 0.81 3.55 1.08 0.00 -1.26 -5.07 105.19 103.24 2nwn n GLY 205 Ca -0.21 -0.62 -0.04 0.00 0.00 0.00 0.00 46.02 45.15 2nwn n GLY 205 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2nwn s ARG 206 N -4.73 0.53 0.04 1.61 3.52 -1.08 -5.11 118.95 113.73 2nwn s ARG 206 Ca 0.00 1.30 -0.30 0.00 -0.13 0.00 0.00 55.73 56.60 2nwn s ARG 206 Cb -0.00 0.62 -0.09 0.00 -1.56 0.00 0.00 34.95 33.92 2nwn s ARG 206 CO 0.00 -0.20 1.89 -1.64 -0.81 0.00 0.00 175.30 174.54 2nwn s MET 207 N 2.60 4.15 0.06 5.12 -1.94 -1.26 -1.44 119.30 126.59 2nwn s MET 207 Ca -0.06 2.55 0.07 0.00 -1.71 0.00 0.00 55.69 56.55 2nwn s MET 207 Cb -0.11 -4.01 -0.03 0.00 2.01 0.00 0.00 34.83 32.69 2nwn s MET 207 CO -0.17 -0.91 -0.21 0.99 -0.01 0.00 0.00 175.02 174.71 2nwn s THR 208 N 4.01 1.66 -1.15 2.05 2.01 0.24 -3.96 115.64 120.50 2nwn s THR 208 Ca 0.85 -1.28 -0.18 0.00 0.31 0.00 0.00 61.69 61.38 2nwn s THR 208 Cb -0.42 -1.47 0.10 0.00 0.01 0.00 0.00 72.50 70.72 2nwn s THR 208 CO 0.39 0.13 1.49 -0.22 -0.69 0.00 0.00 174.62 175.72 2nwn s LEU 209 N -1.36 4.26 0.17 4.42 1.98 -0.43 -1.11 118.68 126.60 2nwn s LEU 209 Ca 0.07 -2.28 -0.01 0.00 -2.89 0.00 0.00 54.13 49.02 2nwn s LEU 209 Cb -0.09 -2.50 0.02 0.00 0.66 0.00 0.00 46.19 44.28 2nwn s LEU 209 CO 0.02 -1.13 1.40 0.74 -1.89 0.00 0.00 176.35 175.50 2nwn h THR 210 N 5.68 1.41 -4.01 3.68 2.02 -1.68 -3.40 112.91 116.62 2nwn h THR 210 Ca 0.31 -2.32 -0.13 0.00 0.77 0.00 0.00 66.41 65.05 2nwn h THR 210 Cb 0.93 2.26 -0.12 0.00 -1.74 0.00 0.00 68.15 69.48 2nwn h THR 210 CO 1.34 0.69 -0.33 -0.83 0.37 0.00 0.00 175.52 176.76 2nwn s GLY 211 N -4.39 0.81 -0.10 2.16 0.00 -0.83 -2.43 107.32 102.55 2nwn s GLY 211 Ca -0.05 -1.15 -0.00 0.00 0.00 0.00 0.00 44.72 43.52 2nwn s GLY 211 CO 0.84 -0.92 -0.08 -0.42 0.00 0.00 0.00 173.10 172.52 2nwn s ILE 212 N -4.05 0.98 -0.14 0.90 1.01 -1.09 -0.39 121.20 118.42 2nwn s ILE 212 Ca 0.27 -0.28 -0.38 0.00 0.00 0.00 0.00 60.65 60.25 2nwn s ILE 212 Cb 0.03 -0.99 -0.15 0.00 0.01 0.00 0.00 42.46 41.35 2nwn s ILE 212 CO 0.08 0.35 1.66 0.52 0.00 0.00 0.00 174.94 177.56 2nwn n VAL 213 N 4.78 0.26 0.02 2.92 0.31 0.64 -1.41 118.33 125.85 2nwn n VAL 213 Ca -0.14 -0.05 -0.01 0.00 -0.01 0.00 0.00 64.34 64.14 2nwn n VAL 213 Cb 0.50 -1.24 -0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2nwn n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2nwn n SER 214 N 4.79 0.80 -3.80 4.52 2.88 -0.53 -0.58 113.62 121.71 2nwn n SER 214 Ca 0.24 0.11 -0.08 0.00 -1.33 0.00 0.00 58.87 57.80 2nwn n SER 214 Cb 0.18 -0.28 -0.03 0.00 -0.75 0.00 0.00 64.21 63.33 2nwn n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2nwn s TRP 215 N -1.73 0.04 -0.21 0.66 1.48 -0.83 -4.80 118.94 113.55 2nwn s TRP 215 Ca -0.02 -0.49 -0.35 0.00 -1.06 0.00 0.00 56.10 54.18 2nwn s TRP 215 Cb 0.00 0.54 0.14 0.00 -1.16 0.00 0.00 33.47 33.00 2nwn s TRP 215 CO 0.03 -1.19 1.24 0.20 -4.06 0.00 0.00 176.95 173.17 2nwn s GLY 216 N -2.97 -0.26 -0.47 3.67 0.00 -1.26 -0.13 107.32 105.90 2nwn s GLY 216 Ca 0.15 1.72 -0.22 0.00 0.00 0.00 0.00 44.72 46.37 2nwn s GLY 216 CO 0.08 0.59 0.75 -1.60 0.00 0.00 0.00 173.10 172.93 2nwn s ARG 217 N -2.26 3.32 3.67 2.90 6.06 -1.26 -4.90 118.95 126.47 2nwn s ARG 217 Ca 0.10 -0.31 0.00 0.00 -2.50 0.00 0.00 55.73 53.01 2nwn s ARG 217 Cb -0.01 -3.98 0.00 0.00 0.06 0.00 0.00 34.95 31.02 2nwn s ARG 217 CO -0.04 -1.17 0.00 0.41 -2.50 0.00 0.00 175.30 172.00 2nwn n GLY 219 N 5.05 0.79 3.05 8.12 0.00 -1.26 -4.69 105.19 116.25 2nwn n GLY 219 Ca -0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2nwn n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nwn n ALA 221 N 3.71 -1.50 -2.84 0.00 0.00 -1.26 -4.92 120.51 113.70 2nwn n ALA 221 Ca -0.20 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 52.85 2nwn n ALA 221 Cb 0.55 -3.15 -0.07 0.00 0.00 0.00 0.00 19.45 16.78 2nwn n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2nwn s LEU 222 N -7.16 4.20 0.27 0.00 1.43 -1.26 -4.78 118.68 111.38 2nwn s LEU 222 Ca 0.49 0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 2nwn s LEU 222 Cb -0.26 -2.12 -0.13 0.00 0.03 0.00 0.00 46.19 43.71 2nwn s LEU 222 CO 0.89 0.37 1.34 1.17 0.23 0.00 0.00 176.35 180.35 2nwn n LYS 223 N 1.80 1.99 -1.22 1.70 4.81 -1.26 -1.54 118.16 124.43 2nwn n LYS 223 Ca -0.18 0.71 -0.08 0.00 -0.87 0.00 0.00 58.31 57.89 2nwn n LYS 223 Cb 0.54 -2.32 -0.03 0.00 0.02 0.00 0.00 35.03 33.24 2nwn n LYS 223 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2nwn n ASP 223 N 1.68 -5.53 -3.67 3.14 8.00 -1.26 -4.91 116.55 113.99 2nwn n ASP 223 Ca 0.09 0.19 -0.27 0.00 0.71 0.00 0.00 54.79 55.51 2nwn n ASP 223 Cb 0.33 -3.69 -0.11 0.00 -0.02 0.00 0.00 41.12 37.63 2nwn n ASP 223 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2nwn n LYS 224 N -0.62 1.55 -0.55 -1.24 4.76 -0.59 -4.18 118.16 117.29 2nwn n LYS 224 Ca -0.08 -4.18 -0.29 0.00 -2.87 0.00 0.00 58.31 50.89 2nwn n LYS 224 Cb 0.52 -2.09 0.23 0.00 -1.84 0.00 0.00 35.03 31.84 2nwn n LYS 224 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2nwn n PRO 225 N 1.91 -1.82 -3.25 1.97 -0.02 -1.26 -4.33 135.00 128.21 2nwn n PRO 225 Ca 0.24 -0.49 -0.39 0.00 -2.02 0.00 0.00 63.50 60.84 2nwn n PRO 225 Cb 0.40 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 2nwn n PRO 225 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2nwn s GLY 226 N -2.44 2.68 -0.14 -1.23 0.00 -0.11 -4.46 107.32 101.62 2nwn s GLY 226 Ca 0.67 0.05 -0.05 0.00 0.00 0.00 0.00 44.72 45.40 2nwn s GLY 226 CO 0.63 0.52 0.02 0.14 0.00 0.00 0.00 173.10 174.41 2nwn s VAL 227 N -1.00 4.43 0.08 1.40 1.01 0.82 -1.36 120.40 125.78 2nwn s VAL 227 Ca 0.30 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2nwn s VAL 227 Cb -0.20 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2nwn s VAL 227 CO 0.19 0.52 -0.22 -0.31 0.00 0.00 0.00 175.10 175.29 2nwn s TYR 228 N -0.11 1.92 0.05 5.22 1.51 0.23 -1.45 117.35 124.71 2nwn s TYR 228 Ca 0.05 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.41 2nwn s TYR 228 Cb -0.12 -1.09 -0.06 0.00 -0.11 0.00 0.00 41.96 40.57 2nwn s TYR 228 CO 0.02 0.17 1.32 0.99 -1.11 0.00 0.00 175.55 176.94 2nwn s THR 229 N -0.97 3.75 -0.99 -0.71 2.01 -0.50 -0.10 115.64 118.13 2nwn s THR 229 Ca 0.08 1.21 -0.23 0.00 0.31 0.00 0.00 61.69 63.06 2nwn s THR 229 Cb -0.10 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.68 2nwn s THR 229 CO 0.03 0.05 1.49 -0.60 -0.69 0.00 0.00 174.62 174.91 2nwn s ARG 230 N 1.61 3.46 0.36 4.92 3.52 -0.79 -2.66 118.95 129.36 2nwn s ARG 230 Ca 0.62 -0.97 0.12 0.00 -0.13 0.00 0.00 55.73 55.37 2nwn s ARG 230 Cb -0.32 -5.25 0.92 0.00 -1.56 0.00 0.00 34.95 28.74 2nwn s ARG 230 CO 0.28 -2.32 1.80 0.28 -0.81 0.00 0.00 175.30 174.52 2nwn h VAL 231 N 6.80 0.65 0.00 7.11 2.07 -1.76 -1.31 116.25 129.81 2nwn h VAL 231 Ca 0.16 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2nwn h VAL 231 Cb 1.01 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2nwn h VAL 231 CO 1.40 0.11 0.00 -1.54 0.02 0.00 0.00 177.57 177.55 2nwn n SER 232 N -4.67 0.00 -0.34 0.57 3.41 -1.26 -1.30 113.62 110.03 2nwn n SER 232 Ca 0.23 -0.73 0.04 0.00 -0.26 0.00 0.00 58.87 58.15 2nwn n SER 232 Cb 0.68 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.68 2nwn n SER 232 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2nwn n HIS 233 N -0.72 0.06 -1.32 7.33 8.25 -0.49 -0.65 115.22 127.68 2nwn n HIS 233 Ca 0.05 -0.09 0.07 0.00 -0.26 0.00 0.00 57.72 57.49 2nwn n HIS 233 Cb 0.02 -0.01 0.10 0.00 1.12 0.00 0.00 29.99 31.22 2nwn n HIS 233 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2nwn n PHE 234 N 0.40 0.00 -0.28 4.41 3.01 -0.42 -4.83 117.46 119.75 2nwn n PHE 234 Ca 0.05 -0.69 -0.05 0.00 1.01 0.00 0.00 57.45 57.77 2nwn n PHE 234 Cb 0.23 -0.12 0.07 0.00 -0.01 0.00 0.00 39.48 39.65 2nwn n PHE 234 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2nwn h LEU 235 N 0.00 0.93 -0.09 4.37 3.38 -1.80 -0.58 115.31 121.51 2nwn h LEU 235 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2nwn h LEU 235 Cb 1.11 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2nwn h LEU 235 CO 0.00 0.72 0.06 -0.65 0.09 0.00 0.00 178.44 178.66 2nwn h PRO 236 N 1.06 0.12 -0.46 1.13 0.11 -1.94 -0.78 132.00 131.24 2nwn h PRO 236 Ca 0.28 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.45 2nwn h PRO 236 Cb -0.03 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 30.99 2nwn h PRO 236 CO -0.05 0.09 0.09 2.35 -0.21 0.00 0.00 178.00 180.26 2nwn h TRP 237 N 0.12 0.14 -0.15 0.65 7.01 -1.85 -1.84 115.95 120.03 2nwn h TRP 237 Ca 0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 2nwn h TRP 237 Cb -0.01 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 2nwn h TRP 237 CO -0.07 -0.00 0.08 0.82 -2.79 0.00 0.00 178.44 176.48 2nwn h ILE 238 N 0.22 1.11 -0.51 2.65 2.04 -0.71 -2.72 117.51 119.58 2nwn h ILE 238 Ca 0.23 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2nwn h ILE 238 Cb 0.29 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2nwn h ILE 238 CO -0.30 0.10 0.29 0.03 0.00 0.00 0.00 178.15 178.27 2nwn h ARG 239 N 0.14 0.71 0.27 2.37 3.08 -0.89 -2.25 114.38 117.81 2nwn h ARG 239 Ca 0.05 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2nwn h ARG 239 Cb 0.09 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2nwn h ARG 239 CO -0.01 0.55 -0.13 0.66 -1.07 0.00 0.00 179.97 179.97 2nwn h SER 240 N 0.68 -0.31 0.20 7.04 4.64 -1.33 -2.29 113.55 122.19 2nwn h SER 240 Ca 0.18 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2nwn h SER 240 Cb 0.04 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2nwn h SER 240 CO -0.03 -0.15 0.00 1.41 -0.87 0.00 0.00 176.83 177.19 2nwn n HIS 241 N -5.21 0.00 -1.05 4.77 8.25 -1.03 -2.43 115.22 118.53 2nwn n HIS 241 Ca -0.10 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.44 2nwn n HIS 241 Cb 0.19 -0.23 0.11 0.00 1.12 0.00 0.00 29.99 31.18 2nwn n HIS 241 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2nwn n THR 242 N -1.23 1.59 1.12 1.59 -2.24 -0.85 -5.09 114.28 109.17 2nwn n THR 242 Ca 0.07 -1.88 0.09 0.00 -2.27 0.00 0.00 64.05 60.06 2nwn n THR 242 Cb 0.10 -0.07 0.53 0.00 -2.10 0.00 0.00 70.33 68.78 2nwn n THR 242 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79