#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3w s VAL 2 N 0.00 0.01 0.37 1.69 0.11 -1.26 -5.16 120.40 116.15 3k3w s VAL 2 Ca 0.00 0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 59.14 3k3w s VAL 2 Cb 0.00 -0.11 0.02 0.00 -1.53 0.00 0.00 36.38 34.76 3k3w s VAL 2 CO 0.00 0.09 0.59 0.00 -3.33 0.00 0.00 175.10 172.45 3k3w n GLN 3 N 4.01 0.84 -4.28 1.54 10.64 -1.26 -5.18 117.38 123.70 3k3w n GLN 3 Ca -0.25 -2.62 -0.17 0.00 -1.83 0.00 0.00 57.00 52.12 3k3w n GLN 3 Cb 0.52 2.73 -0.14 0.00 -0.86 0.00 0.00 30.24 32.48 3k3w n GLN 3 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3k3w s SER 4 N -3.14 1.04 -0.04 2.61 1.04 -1.26 -5.15 113.70 108.80 3k3w s SER 4 Ca 0.25 -0.26 0.06 0.00 0.48 0.00 0.00 55.95 56.48 3k3w s SER 4 Cb -0.02 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 3k3w s SER 4 CO 0.18 0.04 -0.22 -0.69 0.98 0.00 0.00 173.24 173.53 3k3w s VAL 5 N -0.48 1.77 -0.14 5.02 1.01 -1.26 -4.65 120.40 121.66 3k3w s VAL 5 Ca 0.01 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3k3w s VAL 5 Cb -0.05 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.85 3k3w s VAL 5 CO 0.00 0.50 -0.21 -1.83 0.00 0.00 0.00 175.10 173.56 3k3w s GLU 6 N -0.19 3.04 -0.25 2.72 -1.05 -1.09 -4.99 118.70 116.89 3k3w s GLU 6 Ca -0.00 -0.84 -0.11 0.00 -0.15 0.00 0.00 54.97 53.86 3k3w s GLU 6 Cb -0.12 -2.46 -0.05 0.00 -0.44 0.00 0.00 34.13 31.07 3k3w s GLU 6 CO 0.02 -0.02 0.21 0.08 0.95 0.00 0.00 175.26 176.50 3k3w s VAL 7 N 0.83 5.31 -0.09 1.83 1.01 -1.26 -2.33 120.40 125.71 3k3w s VAL 7 Ca -0.06 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.18 3k3w s VAL 7 Cb -0.15 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3k3w s VAL 7 CO -0.02 0.29 -0.14 -0.04 0.00 0.00 0.00 175.10 175.19 3k3w s MET 8 N 1.42 2.90 -0.20 2.72 -1.94 -0.83 -4.91 119.30 118.45 3k3w s MET 8 Ca 0.09 -0.69 -0.07 0.00 -1.71 0.00 0.00 55.69 53.31 3k3w s MET 8 Cb -0.15 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.17 3k3w s MET 8 CO 0.08 0.44 0.04 1.03 -0.01 0.00 0.00 175.02 176.60 3k3w s ARG 9 N -0.26 3.78 0.00 2.03 1.81 -1.26 -0.70 118.95 124.35 3k3w s ARG 9 Ca 0.02 -0.43 0.00 0.00 -1.72 0.00 0.00 55.73 53.59 3k3w s ARG 9 Cb -0.13 -3.19 0.00 0.00 -0.45 0.00 0.00 34.95 31.18 3k3w s ARG 9 CO 0.03 0.09 0.00 -0.40 -0.68 0.00 0.00 175.30 174.33 3k3w n ASP 10 N 4.08 0.00 0.30 0.23 5.75 -1.13 -4.88 116.55 120.90 3k3w n ASP 10 Ca -0.17 -0.99 0.19 0.00 -0.01 0.00 0.00 54.79 53.82 3k3w n ASP 10 Cb 0.52 0.00 0.93 0.00 -1.03 0.00 0.00 41.12 41.53 3k3w n ASP 10 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3k3w h SER 11 N 0.00 0.00 -0.01 -1.12 4.64 -1.99 -2.80 113.55 112.27 3k3w h SER 11 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k3w h SER 11 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3k3w h SER 11 CO 0.00 0.02 -0.38 -1.22 -0.87 0.00 0.00 176.83 174.38 3k3w n TYR 12 N -3.16 0.00 -0.11 4.77 4.01 -1.26 -5.01 117.16 116.40 3k3w n TYR 12 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3k3w n TYR 12 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 3k3w n TYR 12 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k3w n GLY 13 N 1.14 0.94 3.76 2.72 0.00 -1.06 -5.08 105.19 107.61 3k3w n GLY 13 Ca 0.05 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3k3w n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k3w s VAL 14 N -2.00 4.66 0.30 1.61 -7.23 -1.26 -4.77 120.40 111.72 3k3w s VAL 14 Ca 0.00 1.61 -0.27 0.00 -1.81 0.00 0.00 61.98 61.51 3k3w s VAL 14 Cb 0.00 -4.10 -0.09 0.00 0.56 0.00 0.00 36.38 32.74 3k3w s VAL 14 CO 0.00 0.41 0.99 -2.16 -0.31 0.00 0.00 175.10 174.03 3k3w s PRO 15 N -0.34 4.60 -0.23 4.82 0.04 -1.25 -2.82 135.00 139.83 3k3w s PRO 15 Ca 0.37 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.92 3k3w s PRO 15 Cb -0.21 -2.96 0.05 0.00 0.04 0.00 0.00 34.50 31.42 3k3w s PRO 15 CO 0.23 0.27 -0.11 -1.01 0.04 0.00 0.00 177.00 176.42 3k3w s HIS 16 N -1.42 2.83 -0.12 0.56 3.76 0.12 -4.91 115.29 116.11 3k3w s HIS 16 Ca 0.48 -1.95 -0.12 0.00 -0.15 0.00 0.00 55.06 53.31 3k3w s HIS 16 Cb -0.24 -1.79 -0.05 0.00 1.11 0.00 0.00 32.58 31.62 3k3w s HIS 16 CO 0.30 -0.82 0.27 0.14 -0.85 0.00 0.00 174.74 173.79 3k3w s VAL 17 N 1.25 5.29 -0.20 -0.90 -7.23 -1.26 -1.97 120.40 115.38 3k3w s VAL 17 Ca -0.05 0.52 0.02 0.00 -1.81 0.00 0.00 61.98 60.66 3k3w s VAL 17 Cb -0.18 -3.59 0.03 0.00 0.56 0.00 0.00 36.38 33.20 3k3w s VAL 17 CO -0.07 0.49 -0.17 -0.36 -0.31 0.00 0.00 175.10 174.68 3k3w s PHE 18 N -0.22 2.89 0.20 2.82 0.08 -0.98 -5.00 117.98 117.76 3k3w s PHE 18 Ca 0.17 -1.83 -0.11 0.00 0.12 0.00 0.00 56.93 55.28 3k3w s PHE 18 Cb -0.13 -1.90 -0.00 0.00 -0.57 0.00 0.00 43.02 40.41 3k3w s PHE 18 CO 0.06 -0.82 0.39 0.00 -0.10 0.00 0.00 175.22 174.74 3k3w s ALA 19 N 1.25 -0.21 -1.34 5.36 0.00 -1.26 -2.66 121.76 122.90 3k3w s ALA 19 Ca 0.01 -0.79 0.17 0.00 0.00 0.00 0.00 51.96 51.35 3k3w s ALA 19 Cb -0.15 0.95 -0.06 0.00 0.00 0.00 0.00 23.12 23.85 3k3w s ALA 19 CO -0.10 -0.74 0.84 -0.25 0.00 0.00 0.00 175.76 175.51 3k3w n ASP 20 N -0.30 1.41 -4.16 0.00 9.92 -1.26 -4.89 116.55 117.28 3k3w n ASP 20 Ca -0.06 -1.21 -0.22 0.00 -0.53 0.00 0.00 54.79 52.78 3k3w n ASP 20 Cb 0.63 0.65 -0.09 0.00 -0.64 0.00 0.00 41.12 41.66 3k3w n ASP 20 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3k3w s SER 21 N -2.21 2.12 0.17 -2.24 1.04 -1.26 -5.05 113.70 106.26 3k3w s SER 21 Ca 0.12 -1.55 -0.09 0.00 0.48 0.00 0.00 55.95 54.91 3k3w s SER 21 Cb 0.14 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.60 3k3w s SER 21 CO 0.52 -0.83 1.56 0.45 0.98 0.00 0.00 173.24 175.92 3k3w h HIS 22 N 2.06 1.10 -0.14 5.02 3.86 -1.95 -2.80 115.15 122.31 3k3w h HIS 22 Ca -0.36 -0.27 -0.00 0.00 -1.16 0.00 0.00 60.37 58.57 3k3w h HIS 22 Cb 1.26 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.46 3k3w h HIS 22 CO 1.05 1.09 0.07 -0.92 0.86 0.00 0.00 177.93 180.08 3k3w h TYR 23 N 0.82 0.20 -0.56 2.45 3.20 -1.91 -3.09 116.97 118.08 3k3w h TYR 23 Ca 0.10 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 3k3w h TYR 23 Cb 0.81 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3k3w h TYR 23 CO 0.05 0.24 -0.07 0.78 -1.64 0.00 0.00 178.16 177.52 3k3w h GLY 24 N 0.10 1.13 1.68 1.82 0.00 -1.92 0.81 103.07 106.69 3k3w h GLY 24 Ca 0.05 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 3k3w h GLY 24 CO -0.01 0.81 0.11 -2.00 0.00 0.00 0.00 176.54 175.45 3k3w h LEU 25 N 0.93 0.37 0.00 3.11 5.85 -1.50 -2.06 115.31 122.02 3k3w h LEU 25 Ca 0.15 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3k3w h LEU 25 Cb 0.64 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3k3w h LEU 25 CO 0.04 0.35 -1.34 -1.22 -0.34 0.00 0.00 178.44 175.93 3k3w n TYR 26 N -4.41 0.00 -0.07 1.25 4.01 -1.17 -3.03 117.16 113.74 3k3w n TYR 26 Ca 0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.64 3k3w n TYR 26 Cb 0.14 -0.19 -0.05 0.00 -0.31 0.00 0.00 39.34 38.92 3k3w n TYR 26 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3k3w h TYR 27 N 0.00 0.44 -0.26 -0.72 3.20 -0.56 0.14 116.97 119.21 3k3w h TYR 27 Ca 0.00 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.64 3k3w h TYR 27 Cb 0.65 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3k3w h TYR 27 CO 0.00 0.61 -0.42 0.78 -1.64 0.00 0.00 178.16 177.48 3k3w h GLY 28 N 0.14 0.70 0.72 1.82 0.00 -1.54 -1.10 103.07 103.82 3k3w h GLY 28 Ca 0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 3k3w h GLY 28 CO 0.02 0.65 -0.12 -1.82 0.00 0.00 0.00 176.54 175.27 3k3w h TYR 29 N 0.52 -0.31 -0.23 5.60 3.20 -1.52 -1.97 116.97 122.25 3k3w h TYR 29 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3k3w h TYR 29 Cb 0.95 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3k3w h TYR 29 CO 0.04 -0.01 0.15 0.78 -1.64 0.00 0.00 178.16 177.48 3k3w h GLY 30 N -0.62 0.33 0.83 1.82 0.00 -0.76 -2.76 103.07 101.91 3k3w h GLY 30 Ca -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3k3w h GLY 30 CO 0.06 0.12 0.03 -1.82 0.00 0.00 0.00 176.54 174.93 3k3w h TYR 31 N 0.32 0.32 -0.05 5.60 3.20 -1.08 -2.95 116.97 122.32 3k3w h TYR 31 Ca 0.08 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 3k3w h TYR 31 Cb -0.02 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3k3w h TYR 31 CO 0.00 0.46 -0.38 0.00 -1.64 0.00 0.00 178.16 176.60 3k3w h ALA 32 N 0.82 1.28 -0.21 1.82 0.00 -1.14 -2.75 119.26 119.09 3k3w h ALA 32 Ca 0.05 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 3k3w h ALA 32 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3k3w h ALA 32 CO 0.00 0.51 -0.31 0.28 0.00 0.00 0.00 179.25 179.74 3k3w h VAL 33 N 0.08 1.28 0.00 0.00 2.07 -1.47 -2.43 116.25 115.77 3k3w h VAL 33 Ca 0.01 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 3k3w h VAL 33 Cb 0.71 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3k3w h VAL 33 CO 0.05 0.42 -0.25 0.00 0.02 0.00 0.00 177.57 177.81 3k3w h ALA 34 N 1.31 1.45 0.03 1.67 0.00 -1.31 0.14 119.26 122.56 3k3w h ALA 34 Ca 0.05 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 3k3w h ALA 34 Cb 0.73 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.49 3k3w h ALA 34 CO 0.06 0.32 -0.66 1.96 0.00 0.00 0.00 179.25 180.92 3k3w h GLN 35 N 0.00 0.39 0.11 0.00 4.20 -1.40 -3.29 115.11 115.12 3k3w h GLN 35 Ca -0.00 -0.46 -0.23 0.00 0.06 0.00 0.00 58.65 58.02 3k3w h GLN 35 Cb 0.49 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.41 3k3w h GLN 35 CO 0.03 1.14 -1.13 -0.44 -0.67 0.00 0.00 178.83 177.77 3k3w h ASP 36 N -0.16 0.37 -2.26 1.46 3.32 -1.37 -3.42 116.42 114.36 3k3w h ASP 36 Ca -0.09 -0.88 -0.58 0.00 0.02 0.00 0.00 57.03 55.50 3k3w h ASP 36 Cb 1.40 -0.12 -0.40 0.00 0.22 0.00 0.00 39.33 40.43 3k3w h ASP 36 CO 0.13 1.50 -0.91 0.54 -1.72 0.00 0.00 179.24 178.78 3k3w n ARG 37 N -4.06 1.09 0.00 3.56 5.12 0.49 -4.94 116.66 117.92 3k3w n ARG 37 Ca -0.21 -3.66 -0.17 0.00 -1.93 0.00 0.00 57.85 51.88 3k3w n ARG 37 Cb 0.84 -1.67 -0.13 0.00 -1.16 0.00 0.00 32.46 30.34 3k3w n ARG 37 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3k3w h LEU 38 N 4.61 0.34 0.02 0.55 6.46 -1.66 -3.18 115.31 122.43 3k3w h LEU 38 Ca 0.16 -0.89 -0.26 0.00 -0.12 0.00 0.00 57.88 56.76 3k3w h LEU 38 Cb 0.83 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.66 3k3w h LEU 38 CO 0.55 1.20 -1.14 0.15 -0.62 0.00 0.00 178.44 178.57 3k3w h PHE 39 N -0.48 0.65 -0.35 1.25 3.57 -1.92 -2.63 116.94 117.03 3k3w h PHE 39 Ca -0.08 -0.42 -0.02 0.00 3.53 0.00 0.00 57.97 60.98 3k3w h PHE 39 Cb 1.33 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 3k3w h PHE 39 CO 0.20 1.28 0.15 0.37 -2.23 0.00 0.00 178.31 178.08 3k3w h GLN 40 N 0.17 0.53 -0.21 1.11 4.15 -1.96 -0.99 115.11 117.91 3k3w h GLN 40 Ca -0.13 -0.09 -0.14 0.00 0.77 0.00 0.00 58.65 59.06 3k3w h GLN 40 Cb 1.82 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.42 3k3w h GLN 40 CO 0.20 0.51 -0.46 0.52 -1.93 0.00 0.00 178.83 177.66 3k3w h MET 41 N 0.43 0.54 -0.23 1.69 2.86 -1.63 0.37 114.93 118.96 3k3w h MET 41 Ca 0.12 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3k3w h MET 41 Cb 0.17 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3k3w h MET 41 CO -0.01 0.89 0.13 0.22 1.06 0.00 0.00 176.91 179.20 3k3w h ASP 42 N 0.43 0.28 1.22 1.22 3.58 -1.38 -0.83 116.42 120.95 3k3w h ASP 42 Ca 0.03 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 3k3w h ASP 42 Cb 0.98 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 3k3w h ASP 42 CO 0.09 0.28 -0.25 0.24 -2.88 0.00 0.00 179.24 176.72 3k3w h MET 43 N 0.26 0.00 0.09 0.28 2.86 -0.98 -2.04 114.93 115.40 3k3w h MET 43 Ca 0.08 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3k3w h MET 43 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3k3w h MET 43 CO -0.01 0.25 -0.04 0.00 1.06 0.00 0.00 176.91 178.17 3k3w h ALA 44 N 1.75 -0.12 -0.30 6.32 0.00 -0.09 -2.76 119.26 124.06 3k3w h ALA 44 Ca -0.00 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3k3w h ALA 44 Cb 0.93 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3k3w h ALA 44 CO 0.03 -0.33 0.08 -0.09 0.00 0.00 0.00 179.25 178.94 3k3w h ARG 45 N -0.59 0.20 0.00 0.00 1.12 -1.10 -2.26 114.38 111.74 3k3w h ARG 45 Ca -0.01 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.82 3k3w h ARG 45 Cb 0.49 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.40 3k3w h ARG 45 CO 0.02 0.13 -0.13 0.00 -3.11 0.00 0.00 179.97 176.88 3k3w h ARG 46 N 0.20 0.00 -0.07 0.20 3.08 -1.46 -0.81 114.38 115.52 3k3w h ARG 46 Ca 0.14 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.02 3k3w h ARG 46 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3k3w h ARG 46 CO -0.16 0.13 -0.69 1.03 -1.07 0.00 0.00 179.97 179.21 3k3w h SER 47 N 0.00 0.38 0.27 7.04 0.87 -1.11 0.97 113.55 121.97 3k3w h SER 47 Ca -0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3k3w h SER 47 Cb 0.24 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3k3w h SER 47 CO 0.02 0.95 -1.14 0.49 -0.53 0.00 0.00 176.83 176.62 3k3w n PHE 48 N -3.83 0.15 -0.06 2.24 3.72 -0.91 -4.10 117.46 114.67 3k3w n PHE 48 Ca -0.03 0.04 -0.15 0.00 -0.05 0.00 0.00 57.45 57.26 3k3w n PHE 48 Cb 0.68 -0.33 -0.14 0.00 -0.94 0.00 0.00 39.48 38.75 3k3w n PHE 48 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3k3w n VAL 49 N -1.87 1.60 0.00 -4.37 0.31 -0.36 -4.87 118.33 108.76 3k3w n VAL 49 Ca 0.02 -0.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 3k3w n VAL 49 Cb 0.43 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 3k3w n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k3w n GLY 50 N 1.92 0.67 2.24 2.92 0.00 -0.45 -4.69 105.19 107.79 3k3w n GLY 50 Ca -0.32 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 3k3w n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k3w n THR 51 N 0.00 1.89 -0.03 2.61 -2.24 0.21 -4.74 114.28 111.98 3k3w n THR 51 Ca 0.00 -3.50 -0.14 0.00 -2.27 0.00 0.00 64.05 58.14 3k3w n THR 51 Cb 0.00 -0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 3k3w n THR 51 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3k3w h THR 52 N 3.69 1.51 -0.03 4.28 1.35 -1.88 -3.27 112.91 118.56 3k3w h THR 52 Ca 0.12 -1.67 0.01 0.00 -0.55 0.00 0.00 66.41 64.32 3k3w h THR 52 Cb 1.42 2.55 -0.00 0.00 -1.73 0.00 0.00 68.15 70.39 3k3w h THR 52 CO 0.45 0.45 0.04 0.00 -0.25 0.00 0.00 175.52 176.21 3k3w h ALA 53 N 0.35 1.45 0.00 6.62 0.00 -1.78 -2.42 119.26 123.48 3k3w h ALA 53 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3k3w h ALA 53 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3k3w h ALA 53 CO 0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 179.25 179.13 3k3w h ALA 54 N 1.95 1.38 0.00 0.00 0.00 -1.93 -3.25 119.26 117.41 3k3w h ALA 54 Ca 0.01 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 3k3w h ALA 54 Cb 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3k3w h ALA 54 CO -0.00 0.11 -1.75 1.33 0.00 0.00 0.00 179.25 178.94 3k3w n VAL 55 N -3.74 0.75 -4.25 0.00 0.24 -0.95 -5.06 118.33 105.33 3k3w n VAL 55 Ca -0.02 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.34 61.83 3k3w n VAL 55 Cb 0.19 -0.94 -0.10 0.00 -1.47 0.00 0.00 33.84 31.52 3k3w n VAL 55 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 3k3w s LEU 56 N -5.66 2.40 0.00 1.34 0.05 -0.98 -4.98 118.68 110.85 3k3w s LEU 56 Ca -0.16 -1.07 0.00 0.00 0.05 0.00 0.00 54.13 52.94 3k3w s LEU 56 Cb 0.04 -0.23 0.00 0.00 -2.05 0.00 0.00 46.19 43.95 3k3w s LEU 56 CO 0.32 -0.43 0.00 0.61 -0.55 0.00 0.00 176.35 176.30 3k3w n GLY 57 N -0.21 -1.72 3.92 -3.48 0.00 -1.26 -3.71 105.19 98.73 3k3w n GLY 57 Ca -0.09 -2.08 -0.26 0.00 0.00 0.00 0.00 46.02 43.59 3k3w n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k3w s PRO 58 N -0.07 3.19 0.00 1.61 0.04 -1.26 -5.06 135.00 133.45 3k3w s PRO 58 Ca 0.00 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.03 3k3w s PRO 58 Cb 0.00 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3k3w s PRO 58 CO 0.00 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.02 3k3w n GLY 59 N -2.37 0.28 0.07 0.56 0.00 -1.26 -4.44 105.19 98.03 3k3w n GLY 59 Ca 0.02 -2.26 -0.02 0.00 0.00 0.00 0.00 46.02 43.77 3k3w n GLY 59 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k3w n GLU 60 N 0.00 -0.07 -2.83 1.61 4.07 -1.26 -3.52 120.64 118.64 3k3w n GLU 60 Ca 0.00 0.84 -0.43 0.00 -0.06 0.00 0.00 57.16 57.51 3k3w n GLU 60 Cb 0.00 -1.26 0.01 0.00 -0.06 0.00 0.00 31.44 30.13 3k3w n GLU 60 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3k3w n GLN 61 N -3.22 4.13 -4.12 5.31 6.02 -1.26 -4.77 117.38 119.47 3k3w n GLN 61 Ca 0.00 -4.23 -0.46 0.00 -0.01 0.00 0.00 57.00 52.31 3k3w n GLN 61 Cb 0.04 -2.65 0.01 0.00 1.02 0.00 0.00 30.24 28.66 3k3w n GLN 61 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3k3w n ASP 62 N 2.30 -3.52 -0.04 1.08 9.92 -1.26 -4.87 116.55 120.16 3k3w n ASP 62 Ca 0.30 -1.31 -0.19 0.00 -0.53 0.00 0.00 54.79 53.07 3k3w n ASP 62 Cb 0.35 -1.61 -0.14 0.00 -0.64 0.00 0.00 41.12 39.08 3k3w n ASP 62 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3k3w n ALA 63 N -5.04 1.13 -0.00 2.24 0.00 -1.23 -3.54 120.51 114.06 3k3w n ALA 63 Ca -0.14 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.40 3k3w n ALA 63 Cb 0.58 -0.52 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 3k3w n ALA 63 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3k3w h TYR 64 N 0.04 0.05 0.00 0.00 0.05 -1.90 -2.22 116.97 113.00 3k3w h TYR 64 Ca -0.46 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.30 3k3w h TYR 64 Cb 2.01 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 39.73 3k3w h TYR 64 CO 0.05 0.30 -0.07 -0.24 -1.05 0.00 0.00 178.16 177.15 3k3w h VAL 65 N -0.21 0.25 0.00 -2.88 3.04 -1.92 -1.29 116.25 113.24 3k3w h VAL 65 Ca 0.01 -0.56 -0.05 0.00 -1.01 0.00 0.00 66.70 65.09 3k3w h VAL 65 Cb 0.28 1.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.99 3k3w h VAL 65 CO 0.00 0.07 -0.27 0.11 -1.01 0.00 0.00 177.57 176.47 3k3w h LYS 66 N 0.00 0.00 0.06 4.17 1.79 -1.54 -3.22 116.57 117.83 3k3w h LYS 66 Ca -0.00 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.11 3k3w h LYS 66 Cb 0.43 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 3k3w h LYS 66 CO 0.01 0.23 -2.09 0.98 -1.08 0.00 0.00 179.45 177.50 3k3w n TYR 67 N -3.14 0.82 -0.35 -1.35 9.36 -0.86 -3.30 117.16 118.33 3k3w n TYR 67 Ca 0.03 0.20 0.07 0.00 3.32 0.00 0.00 57.90 61.52 3k3w n TYR 67 Cb 0.63 -1.12 0.24 0.00 -0.63 0.00 0.00 39.34 38.46 3k3w n TYR 67 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3k3w h ASP 68 N 0.04 0.92 -0.12 2.98 5.19 -1.36 0.43 116.42 124.50 3k3w h ASP 68 Ca -0.44 0.04 -0.23 0.00 -0.62 0.00 0.00 57.03 55.77 3k3w h ASP 68 Cb 2.02 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 41.39 3k3w h ASP 68 CO 0.04 0.51 -0.84 0.24 -3.12 0.00 0.00 179.24 176.08 3k3w h MET 69 N 1.00 0.78 -0.29 3.56 2.86 -1.74 -3.03 114.93 118.08 3k3w h MET 69 Ca 0.48 -0.68 -0.08 0.00 -2.06 0.00 0.00 59.70 57.36 3k3w h MET 69 Cb 0.44 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 3k3w h MET 69 CO -0.24 1.28 -0.15 0.37 1.06 0.00 0.00 176.91 179.23 3k3w h GLN 70 N 0.52 0.51 -0.01 1.72 -0.00 -1.19 -1.92 115.11 114.73 3k3w h GLN 70 Ca -0.07 -0.16 -0.17 0.00 -0.00 0.00 0.00 58.65 58.26 3k3w h GLN 70 Cb 1.47 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.89 3k3w h GLN 70 CO 0.17 0.65 -0.77 -0.24 0.00 0.00 0.00 178.83 178.64 3k3w h VAL 71 N 0.46 1.49 -0.12 2.39 3.04 -0.29 -3.14 116.25 120.08 3k3w h VAL 71 Ca 0.08 -2.46 -0.05 0.00 -1.01 0.00 0.00 66.70 63.26 3k3w h VAL 71 Cb 0.53 2.33 -0.01 0.00 -2.01 0.00 0.00 31.29 32.14 3k3w h VAL 71 CO 0.03 0.71 -0.17 0.03 -1.01 0.00 0.00 177.57 177.16 3k3w h ARG 72 N 0.08 0.20 -0.73 4.17 2.47 -1.24 -2.36 114.38 116.97 3k3w h ARG 72 Ca -0.02 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.60 3k3w h ARG 72 Cb 1.35 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.61 3k3w h ARG 72 CO 0.11 0.37 0.24 1.96 0.56 0.00 0.00 179.97 183.22 3k3w h GLN 73 N 0.19 1.11 -0.05 0.04 4.20 -1.34 -3.22 115.11 116.03 3k3w h GLN 73 Ca 0.04 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.52 3k3w h GLN 73 Cb 0.42 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3k3w h GLN 73 CO 0.03 0.93 0.00 0.09 -0.67 0.00 0.00 178.83 179.21 3k3w n ASN 74 N -4.26 1.12 -3.73 1.46 4.13 -0.90 -4.76 115.26 108.32 3k3w n ASN 74 Ca 0.06 -1.46 -0.14 0.00 1.68 0.00 0.00 54.58 54.72 3k3w n ASN 74 Cb 0.21 -0.03 -0.14 0.00 -1.54 0.00 0.00 39.78 38.28 3k3w n ASN 74 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3k3w s PHE 75 N -1.94 -0.21 -0.41 3.10 -0.71 -1.14 -5.11 117.98 111.56 3k3w s PHE 75 Ca 0.37 0.59 -0.20 0.00 -1.04 0.00 0.00 56.93 56.65 3k3w s PHE 75 Cb 0.19 -0.08 0.02 0.00 -1.21 0.00 0.00 43.02 41.94 3k3w s PHE 75 CO 0.31 -0.20 0.59 -0.08 -1.34 0.00 0.00 175.22 174.49 3k3w s THR 76 N 1.41 4.90 0.43 -4.49 -1.32 -1.26 -4.81 115.64 110.50 3k3w s THR 76 Ca -0.07 0.16 0.25 0.00 -1.21 0.00 0.00 61.69 60.82 3k3w s THR 76 Cb -0.11 -4.12 0.27 0.00 -1.51 0.00 0.00 72.50 67.03 3k3w s THR 76 CO -0.07 -0.47 2.06 -0.65 -2.21 0.00 0.00 174.62 173.29 3k3w h PRO 77 N 8.72 0.00 -0.12 7.08 0.11 -2.00 -2.57 132.00 143.22 3k3w h PRO 77 Ca -0.26 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.68 3k3w h PRO 77 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3k3w h PRO 77 CO 0.85 0.13 -0.63 0.00 -0.21 0.00 0.00 178.00 178.14 3k3w h ALA 78 N 1.87 0.68 -0.31 -0.75 0.00 -1.99 -2.29 119.26 116.47 3k3w h ALA 78 Ca -0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 3k3w h ALA 78 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3k3w h ALA 78 CO 0.02 0.72 0.02 1.03 0.00 0.00 0.00 179.25 181.04 3k3w h SER 79 N 0.33 0.51 0.45 0.00 0.87 -1.89 -2.91 113.55 110.92 3k3w h SER 79 Ca -0.01 -0.29 -0.16 0.00 -1.23 0.00 0.00 61.79 60.11 3k3w h SER 79 Cb 1.18 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 3k3w h SER 79 CO 0.11 0.67 -0.67 0.40 -0.53 0.00 0.00 176.83 176.81 3k3w h ILE 80 N 0.33 1.42 -0.09 2.23 1.08 -1.61 -2.75 117.51 118.12 3k3w h ILE 80 Ca 0.09 -2.16 0.01 0.00 -0.39 0.00 0.00 64.86 62.41 3k3w h ILE 80 Cb 0.39 2.13 -0.01 0.00 -3.07 0.00 0.00 36.82 36.26 3k3w h ILE 80 CO 0.01 0.63 -0.00 -0.61 -0.69 0.00 0.00 178.15 177.49 3k3w h GLN 81 N 0.14 0.03 0.00 2.37 5.75 -1.33 -1.93 115.11 120.13 3k3w h GLN 81 Ca -0.01 -0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 3k3w h GLN 81 Cb 1.20 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.73 3k3w h GLN 81 CO 0.10 0.02 -0.38 0.07 -2.65 0.00 0.00 178.83 175.99 3k3w h ARG 82 N 0.03 0.00 -0.33 1.69 0.11 -1.57 -3.08 114.38 111.23 3k3w h ARG 82 Ca 0.04 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.06 3k3w h ARG 82 Cb 0.05 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 3k3w h ARG 82 CO -0.07 0.38 -0.02 1.96 0.10 0.00 0.00 179.97 182.32 3k3w h GLN 83 N 0.00 0.60 -0.43 0.08 4.20 -1.19 -2.93 115.11 115.44 3k3w h GLN 83 Ca -0.00 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.40 3k3w h GLN 83 Cb 1.10 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 3k3w h GLN 83 CO 0.05 0.74 -0.16 0.82 -0.67 0.00 0.00 178.83 179.61 3k3w h ILE 84 N 0.40 1.28 0.00 2.54 2.04 -1.39 -3.22 117.51 119.15 3k3w h ILE 84 Ca 0.09 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.60 3k3w h ILE 84 Cb 0.48 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3k3w h ILE 84 CO 0.02 0.44 -0.29 0.00 0.00 0.00 0.00 178.15 178.32 3k3w h ALA 85 N 0.84 1.51 0.00 1.87 0.00 -1.56 -2.70 119.26 119.23 3k3w h ALA 85 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3k3w h ALA 85 Cb 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3k3w h ALA 85 CO 0.05 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3k3w h ALA 86 N 1.71 1.00 -2.92 0.00 0.00 -1.52 -3.45 119.26 114.08 3k3w h ALA 86 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3k3w h ALA 86 Cb 0.52 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.42 3k3w h ALA 86 CO 0.04 0.00 0.55 -0.51 0.00 0.00 0.00 179.25 179.33 3k3w s LEU 87 N -5.53 3.84 0.78 0.00 1.02 -1.02 -5.01 118.68 112.75 3k3w s LEU 87 Ca 0.03 2.58 -0.11 0.00 0.02 0.00 0.00 54.13 56.65 3k3w s LEU 87 Cb 0.09 -4.35 0.06 0.00 0.02 0.00 0.00 46.19 42.01 3k3w s LEU 87 CO 0.51 -1.44 1.10 -0.94 0.02 0.00 0.00 176.35 175.60 3k3w s SER 88 N -1.20 4.38 0.21 2.29 1.04 -1.26 -4.69 113.70 114.48 3k3w s SER 88 Ca 0.71 1.89 -0.12 0.00 0.48 0.00 0.00 55.95 58.91 3k3w s SER 88 Cb -0.36 -2.53 0.26 0.00 0.10 0.00 0.00 66.02 63.50 3k3w s SER 88 CO 0.41 -2.12 1.64 0.50 0.98 0.00 0.00 173.24 174.66 3k3w h LYS 89 N -1.08 0.05 -0.74 4.02 3.64 -1.97 0.31 116.57 120.80 3k3w h LYS 89 Ca -0.44 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.96 3k3w h LYS 89 Cb 1.24 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 3k3w h LYS 89 CO 0.50 0.03 0.47 -0.44 -2.27 0.00 0.00 179.45 177.75 3k3w h ASP 90 N 0.05 0.80 0.65 4.20 3.45 -2.00 -1.54 116.42 122.03 3k3w h ASP 90 Ca 0.31 -0.01 -0.15 0.00 0.43 0.00 0.00 57.03 57.61 3k3w h ASP 90 Cb 0.49 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.06 3k3w h ASP 90 CO -0.58 0.56 -0.71 -0.33 -1.57 0.00 0.00 179.24 176.61 3k3w h GLU 91 N 0.94 0.05 0.00 3.56 5.08 -1.57 -3.11 114.58 119.54 3k3w h GLU 91 Ca 0.29 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 3k3w h GLU 91 Cb -0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3k3w h GLU 91 CO -0.09 0.74 -0.44 -0.09 -1.00 0.00 0.00 179.01 178.13 3k3w h ARG 92 N 0.03 0.00 0.00 2.33 9.65 -0.11 -3.28 114.38 123.01 3k3w h ARG 92 Ca -0.01 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.82 3k3w h ARG 92 Cb 1.25 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 3k3w h ARG 92 CO 0.10 0.44 -0.24 -0.44 2.80 0.00 0.00 179.97 182.62 3k3w h ASP 93 N 0.00 0.00 -0.74 -3.80 3.45 -1.21 -2.44 116.42 111.68 3k3w h ASP 93 Ca -0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.45 3k3w h ASP 93 Cb 0.97 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.71 3k3w h ASP 93 CO 0.06 0.24 0.45 0.40 -1.57 0.00 0.00 179.24 178.82 3k3w h ILE 94 N 0.00 1.21 0.06 0.35 5.03 -1.69 0.23 117.51 122.70 3k3w h ILE 94 Ca -0.00 -0.46 -0.27 0.00 -0.12 0.00 0.00 64.86 64.01 3k3w h ILE 94 Cb 0.48 0.18 -0.02 0.00 -3.03 0.00 0.00 36.82 34.43 3k3w h ILE 94 CO 0.03 0.22 -1.33 -0.26 -0.68 0.00 0.00 178.15 176.13 3k3w h PHE 95 N 1.01 0.24 -0.04 1.37 -1.00 -1.73 -3.00 116.94 113.80 3k3w h PHE 95 Ca 0.27 -0.18 -0.07 0.00 2.81 0.00 0.00 57.97 60.80 3k3w h PHE 95 Cb -0.04 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.52 3k3w h PHE 95 CO -0.01 1.18 -0.26 0.00 -1.61 0.00 0.00 178.31 177.61 3k3w h ARG 96 N 0.04 0.24 -0.84 1.51 3.08 -1.35 -2.39 114.38 114.66 3k3w h ARG 96 Ca -0.15 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.71 3k3w h ARG 96 Cb 1.93 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.98 3k3w h ARG 96 CO 0.15 0.88 0.55 0.78 -1.07 0.00 0.00 179.97 181.25 3k3w h GLY 97 N -0.33 1.20 0.96 0.04 0.00 -0.69 0.11 103.07 104.37 3k3w h GLY 97 Ca -0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3k3w h GLY 97 CO 0.05 0.39 0.14 -1.82 0.00 0.00 0.00 176.54 175.30 3k3w h TYR 98 N 1.09 0.34 -0.45 5.60 3.20 -1.46 0.17 116.97 125.46 3k3w h TYR 98 Ca 0.32 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 62.05 3k3w h TYR 98 Cb -0.05 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3k3w h TYR 98 CO -0.02 0.28 -0.25 0.00 -1.64 0.00 0.00 178.16 176.53 3k3w h ALA 99 N 1.03 0.70 -0.09 1.82 0.00 -1.12 -1.22 119.26 120.38 3k3w h ALA 99 Ca 0.09 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 3k3w h ALA 99 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3k3w h ALA 99 CO -0.02 0.67 -0.65 -0.44 0.00 0.00 0.00 179.25 178.82 3k3w h ASP 100 N 0.80 0.41 -0.25 0.00 3.32 -0.71 -2.67 116.42 117.33 3k3w h ASP 100 Ca 0.10 -0.25 -0.16 0.00 0.02 0.00 0.00 57.03 56.74 3k3w h ASP 100 Cb 0.82 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3k3w h ASP 100 CO 0.07 0.95 -0.47 1.23 -1.72 0.00 0.00 179.24 179.30 3k3w h GLY 101 N 1.34 0.82 1.44 2.75 0.00 -0.60 -1.73 103.07 107.10 3k3w h GLY 101 Ca -0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 46.33 3k3w h GLY 101 CO 0.11 0.87 0.24 -1.82 0.00 0.00 0.00 176.54 175.94 3k3w h TYR 102 N 0.49 0.72 0.00 5.60 3.20 -1.21 -2.54 116.97 123.24 3k3w h TYR 102 Ca 0.01 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 3k3w h TYR 102 Cb 1.07 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 3k3w h TYR 102 CO 0.08 0.54 -0.23 -0.91 -1.64 0.00 0.00 178.16 176.00 3k3w h ASN 103 N 0.73 0.00 -0.19 -2.11 2.35 -1.42 -2.94 115.58 112.00 3k3w h ASN 103 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3k3w h ASN 103 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3k3w h ASN 103 CO -0.02 0.23 0.12 0.00 -1.65 0.00 0.00 177.43 176.11 3k3w h ALA 104 N 1.77 0.24 0.00 -0.83 0.00 -0.86 -0.59 119.26 118.99 3k3w h ALA 104 Ca -0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3k3w h ALA 104 Cb 1.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3k3w h ALA 104 CO 0.03 -0.26 -0.82 -0.92 0.00 0.00 0.00 179.25 177.28 3k3w h TYR 105 N 0.24 0.01 0.00 0.00 3.20 -1.66 -3.25 116.97 115.51 3k3w h TYR 105 Ca 0.07 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3k3w h TYR 105 Cb 0.00 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 3k3w h TYR 105 CO -0.06 0.82 -0.10 1.25 -1.64 0.00 0.00 178.16 178.44 3k3w h LEU 106 N 0.00 0.00 -0.65 2.82 6.46 -1.27 -1.11 115.31 121.56 3k3w h LEU 106 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3k3w h LEU 106 Cb 1.45 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 3k3w h LEU 106 CO 0.11 0.10 -0.21 -0.62 -0.62 0.00 0.00 178.44 177.20 3k3w n GLU 107 N -3.42 1.07 0.11 1.25 1.02 -0.27 -3.42 120.64 117.00 3k3w n GLU 107 Ca -0.01 -0.65 -0.21 0.00 -0.02 0.00 0.00 57.16 56.27 3k3w n GLU 107 Cb 0.26 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.05 3k3w n GLU 107 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3k3w h GLN 108 N 1.59 0.41 0.00 3.49 1.08 -1.28 -3.18 115.11 117.22 3k3w h GLN 108 Ca 0.00 -0.70 -0.03 0.00 -1.45 0.00 0.00 58.65 56.47 3k3w h GLN 108 Cb 0.53 0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 28.21 3k3w h GLN 108 CO 0.00 1.32 -0.16 -0.39 -0.95 0.00 0.00 178.83 178.65 3k3w h VAL 109 N 0.11 0.37 -0.00 -0.54 -1.51 -1.59 1.32 116.25 114.42 3k3w h VAL 109 Ca -0.23 -0.99 -0.14 0.00 -1.23 0.00 0.00 66.70 64.11 3k3w h VAL 109 Cb 2.09 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 32.97 3k3w h VAL 109 CO 0.23 0.15 -0.68 0.03 -1.23 0.00 0.00 177.57 176.07 3k3w h ARG 110 N 0.00 0.01 0.08 5.19 3.08 -1.66 -3.29 114.38 117.79 3k3w h ARG 110 Ca -0.00 -0.01 -0.35 0.00 0.07 0.00 0.00 59.98 59.69 3k3w h ARG 110 Cb 0.73 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 3k3w h ARG 110 CO 0.02 0.68 -2.00 0.54 -1.07 0.00 0.00 179.97 178.15 3k3w n ARG 111 N -3.73 0.72 -3.78 0.04 1.74 -0.82 -4.72 116.66 106.11 3k3w n ARG 111 Ca -0.01 0.25 -0.35 0.00 -0.77 0.00 0.00 57.85 56.96 3k3w n ARG 111 Cb 0.67 -1.70 -0.11 0.00 -1.02 0.00 0.00 32.46 30.29 3k3w n ARG 111 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3k3w s ARG 112 N -2.56 2.19 0.18 5.56 0.52 0.45 -4.96 118.95 120.33 3k3w s ARG 112 Ca -0.20 -2.17 0.17 0.00 -0.52 0.00 0.00 55.73 53.01 3k3w s ARG 112 Cb 0.07 -3.60 0.79 0.00 0.52 0.00 0.00 34.95 32.73 3k3w s ARG 112 CO 0.77 -1.11 1.52 -2.30 0.02 0.00 0.00 175.30 174.19 3k3w n PRO 113 N 4.02 0.11 0.27 3.54 -0.02 -1.24 -2.24 135.00 139.42 3k3w n PRO 113 Ca 0.03 0.48 0.16 0.00 -2.02 0.00 0.00 63.50 62.14 3k3w n PRO 113 Cb 0.39 -1.76 0.61 0.00 -0.02 0.00 0.00 33.50 32.72 3k3w n PRO 113 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3k3w h GLU 114 N 0.00 0.00 -0.20 -0.52 9.09 -1.93 -3.01 114.58 118.01 3k3w h GLU 114 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3k3w h GLU 114 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 3k3w h GLU 114 CO 0.00 0.04 0.00 1.28 0.05 0.00 0.00 179.01 180.38 3k3w n LEU 115 N -3.14 2.13 -4.70 3.06 4.77 -0.95 -4.91 117.00 113.25 3k3w n LEU 115 Ca 0.01 -0.88 -0.42 0.00 -0.03 0.00 0.00 56.01 54.68 3k3w n LEU 115 Cb 0.34 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3k3w n LEU 115 CO 0.29 0.44 0.93 -0.22 -1.33 0.00 0.00 177.39 177.50 3k3w s LEU 116 N -1.59 4.33 0.53 2.23 2.96 -1.14 -4.93 118.68 121.07 3k3w s LEU 116 Ca 0.34 1.94 -0.22 0.00 -0.22 0.00 0.00 54.13 55.96 3k3w s LEU 116 Cb 0.19 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 3k3w s LEU 116 CO 0.28 -0.54 1.37 -2.84 -1.32 0.00 0.00 176.35 173.30 3k3w s PRO 117 N 1.66 3.23 0.55 0.98 0.02 -1.26 -4.91 135.00 135.27 3k3w s PRO 117 Ca 0.58 2.26 0.21 0.00 0.02 0.00 0.00 61.00 64.08 3k3w s PRO 117 Cb -0.27 -2.32 1.48 0.00 0.02 0.00 0.00 34.50 33.40 3k3w s PRO 117 CO 0.26 -1.13 2.19 -0.22 -0.33 0.00 0.00 177.00 177.77 3k3w h LYS 118 N 1.61 0.00 -0.80 5.54 3.64 -1.99 -2.91 116.57 121.66 3k3w h LYS 118 Ca -0.51 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3k3w h LYS 118 Cb 1.29 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.07 3k3w h LYS 118 CO 0.58 0.01 0.50 0.93 -2.27 0.00 0.00 179.45 179.19 3k3w h GLU 119 N 0.00 1.07 -0.48 1.90 3.07 -1.99 -2.56 114.58 115.60 3k3w h GLU 119 Ca -0.00 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 58.70 3k3w h GLU 119 Cb 0.01 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.67 3k3w h GLU 119 CO 0.00 0.74 -0.01 1.88 -1.40 0.00 0.00 179.01 180.22 3k3w h TYR 120 N 1.10 0.84 -0.08 4.33 0.05 -1.81 -0.99 116.97 120.41 3k3w h TYR 120 Ca 0.29 -0.12 -0.17 0.00 0.05 0.00 0.00 58.73 58.78 3k3w h TYR 120 Cb -0.07 -0.23 0.01 0.00 1.01 0.00 0.00 36.73 37.45 3k3w h TYR 120 CO 0.00 0.79 -0.60 0.28 -1.05 0.00 0.00 178.16 177.58 3k3w h VAL 121 N 0.74 1.36 -0.29 -2.88 2.07 -1.68 0.10 116.25 115.67 3k3w h VAL 121 Ca 0.14 -1.93 -0.07 0.00 0.82 0.00 0.00 66.70 65.67 3k3w h VAL 121 Cb 0.46 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3k3w h VAL 121 CO 0.02 0.58 -0.12 0.44 0.02 0.00 0.00 177.57 178.52 3k3w h ASP 122 N 0.16 0.48 0.56 0.57 5.19 -1.37 -2.32 116.42 119.68 3k3w h ASP 122 Ca -0.05 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3k3w h ASP 122 Cb 1.26 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.64 3k3w h ASP 122 CO 0.12 0.63 -0.57 0.49 -3.12 0.00 0.00 179.24 176.79 3k3w n PHE 123 N -4.21 0.13 -3.28 4.55 3.72 -0.39 -5.00 117.46 112.98 3k3w n PHE 123 Ca 0.01 0.04 -0.15 0.00 -0.05 0.00 0.00 57.45 57.29 3k3w n PHE 123 Cb 0.32 -0.34 0.08 0.00 -0.94 0.00 0.00 39.48 38.59 3k3w n PHE 123 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3k3w n ASP 124 N -1.66 -2.81 -4.04 4.37 2.03 0.26 -5.00 116.55 109.71 3k3w n ASP 124 Ca 0.05 -0.59 -0.10 0.00 0.52 0.00 0.00 54.79 54.67 3k3w n ASP 124 Cb 0.36 -4.79 -0.07 0.00 -0.72 0.00 0.00 41.12 35.91 3k3w n ASP 124 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3k3w s PHE 125 N -3.34 0.56 0.08 -0.67 -0.12 -0.58 -5.03 117.98 108.88 3k3w s PHE 125 Ca 0.08 -0.89 -0.06 0.00 -0.05 0.00 0.00 56.93 56.00 3k3w s PHE 125 Cb -0.01 -0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.29 3k3w s PHE 125 CO 0.68 -0.86 0.33 -0.65 -0.05 0.00 0.00 175.22 174.67 3k3w s GLN 126 N -4.04 3.63 0.30 1.99 -1.52 -1.26 -4.63 119.66 114.13 3k3w s GLN 126 Ca 0.26 -0.04 -0.29 0.00 -1.95 0.00 0.00 55.36 53.33 3k3w s GLN 126 Cb 0.02 -2.98 -0.10 0.00 -0.22 0.00 0.00 33.01 29.74 3k3w s GLN 126 CO 0.08 0.56 1.21 -1.25 -0.25 0.00 0.00 175.29 175.64 3k3w s PRO 127 N -2.16 4.49 -0.02 2.91 0.04 -1.26 -5.05 135.00 133.96 3k3w s PRO 127 Ca 0.34 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.44 3k3w s PRO 127 Cb -0.13 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 3k3w s PRO 127 CO 0.20 0.00 -0.14 -1.21 0.04 0.00 0.00 177.00 175.89 3k3w s GLU 128 N -1.56 2.40 0.81 4.56 0.41 -1.26 -5.12 118.70 118.94 3k3w s GLU 128 Ca 0.47 -0.77 -0.13 0.00 -0.41 0.00 0.00 54.97 54.13 3k3w s GLU 128 Cb -0.36 -2.34 0.09 0.00 -1.78 0.00 0.00 34.13 29.74 3k3w s GLU 128 CO 0.47 0.60 1.18 -2.14 -0.49 0.00 0.00 175.26 174.87 3k3w s PRO 129 N -1.00 1.64 -0.04 0.39 0.02 -1.26 -5.03 135.00 129.73 3k3w s PRO 129 Ca 0.13 1.65 -0.01 0.00 0.02 0.00 0.00 61.00 62.79 3k3w s PRO 129 Cb -0.11 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 3k3w s PRO 129 CO 0.03 -2.19 0.04 -1.17 -0.33 0.00 0.00 177.00 173.38 3k3w s LEU 130 N -5.84 3.74 0.26 -5.54 2.96 -1.26 -5.11 118.68 107.90 3k3w s LEU 130 Ca 0.70 0.13 0.09 0.00 -0.22 0.00 0.00 54.13 54.84 3k3w s LEU 130 Cb -0.26 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 3k3w s LEU 130 CO 0.52 0.32 0.04 0.42 -1.32 0.00 0.00 176.35 176.32 3k3w s THR 131 N -1.06 3.66 0.53 3.68 -4.23 -1.26 -4.70 115.64 112.26 3k3w s THR 131 Ca 0.19 -1.80 0.26 0.00 -1.18 0.00 0.00 61.69 59.15 3k3w s THR 131 Cb -0.12 -2.97 0.31 0.00 1.34 0.00 0.00 72.50 71.07 3k3w s THR 131 CO 0.09 -0.37 2.18 -2.24 -0.54 0.00 0.00 174.62 173.73 3k3w h ASP 132 N 1.80 0.00 -0.42 3.99 2.03 -1.94 -0.64 116.42 121.24 3k3w h ASP 132 Ca -0.45 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.74 3k3w h ASP 132 Cb 1.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 3k3w h ASP 132 CO 0.60 0.04 -0.14 0.15 -1.03 0.00 0.00 179.24 178.87 3k3w h PHE 133 N 0.00 0.96 -0.25 4.15 3.57 -1.95 -2.89 116.94 120.52 3k3w h PHE 133 Ca -0.00 -0.22 -0.08 0.00 3.53 0.00 0.00 57.97 61.20 3k3w h PHE 133 Cb 0.10 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3k3w h PHE 133 CO 0.00 0.97 -0.18 -0.44 -2.23 0.00 0.00 178.31 176.44 3k3w h ASP 134 N 0.67 0.43 -0.22 0.41 3.32 -1.55 -1.42 116.42 118.06 3k3w h ASP 134 Ca 0.10 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3k3w h ASP 134 Cb 0.69 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3k3w h ASP 134 CO 0.05 0.63 0.04 0.58 -1.72 0.00 0.00 179.24 178.82 3k3w h VAL 135 N 0.40 1.22 -0.73 -1.35 2.07 -1.32 -2.57 116.25 113.98 3k3w h VAL 135 Ca 0.07 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 3k3w h VAL 135 Cb 0.55 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3k3w h VAL 135 CO 0.04 0.23 0.21 0.58 0.02 0.00 0.00 177.57 178.65 3k3w h VAL 136 N 0.17 1.26 -0.11 2.57 2.07 -1.40 -2.99 116.25 117.82 3k3w h VAL 136 Ca 0.07 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3k3w h VAL 136 Cb 0.32 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3k3w h VAL 136 CO 0.00 0.36 0.04 0.24 0.02 0.00 0.00 177.57 178.23 3k3w h MET 137 N 1.09 0.15 -0.01 1.57 2.07 -1.13 -2.02 114.93 116.65 3k3w h MET 137 Ca 0.23 -0.01 -0.07 0.00 -2.07 0.00 0.00 59.70 57.78 3k3w h MET 137 Cb 0.33 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.01 3k3w h MET 137 CO -0.00 0.14 -0.34 0.82 1.07 0.00 0.00 176.91 178.59 3k3w h ILE 138 N 0.15 1.25 0.00 -1.22 2.04 -1.30 -1.03 117.51 117.41 3k3w h ILE 138 Ca 0.04 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.70 3k3w h ILE 138 Cb 0.05 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3k3w h ILE 138 CO -0.00 0.34 -0.07 -0.25 0.00 0.00 0.00 178.15 178.17 3k3w h TRP 139 N 0.02 0.00 0.00 1.37 7.01 -1.47 -2.89 115.95 119.99 3k3w h TRP 139 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3k3w h TRP 139 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.68 3k3w h TRP 139 CO 0.00 0.00 0.03 1.33 -2.79 0.00 0.00 178.44 177.01 3k3w n VAL 140 N -4.00 1.19 -0.02 2.65 0.24 -0.95 0.34 118.33 117.78 3k3w n VAL 140 Ca -0.01 0.69 -0.11 0.00 -2.04 0.00 0.00 64.34 62.87 3k3w n VAL 140 Cb 0.04 -1.69 -0.14 0.00 -1.47 0.00 0.00 33.84 30.58 3k3w n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k3w n GLY 141 N -1.33 -0.91 0.04 7.63 0.00 -0.39 -2.05 105.19 108.17 3k3w n GLY 141 Ca -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.93 3k3w n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k3w n SER 142 N -3.12 1.50 0.01 1.61 3.41 -0.33 -4.18 113.62 112.52 3k3w n SER 142 Ca -0.21 -1.95 -0.01 0.00 -0.26 0.00 0.00 58.87 56.45 3k3w n SER 142 Cb 1.06 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.93 3k3w n SER 142 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3k3w n MET 143 N -0.51 0.06 -0.08 4.33 0.00 1.06 -4.69 117.12 117.29 3k3w n MET 143 Ca 0.02 0.02 0.10 0.00 0.00 0.00 0.00 57.70 57.84 3k3w n MET 143 Cb 0.39 -0.38 0.13 0.00 0.00 0.00 0.00 33.22 33.35 3k3w n MET 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3k3w n ALA 144 N -3.02 2.43 0.63 -5.12 0.00 -1.22 -3.56 120.51 110.63 3k3w n ALA 144 Ca -0.02 -0.80 0.07 0.00 0.00 0.00 0.00 53.44 52.69 3k3w n ALA 144 Cb 0.06 -0.68 0.05 0.00 0.00 0.00 0.00 19.45 18.87 3k3w n ALA 144 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k3w n ASN 145 N 1.13 2.05 0.00 0.00 5.15 -0.87 -2.90 115.26 119.82 3k3w n ASN 145 Ca 0.13 -1.53 0.00 0.00 -0.60 0.00 0.00 54.58 52.59 3k3w n ASN 145 Cb 0.50 0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 3k3w n ASN 145 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3k3w n ARG 146 N 0.58 0.00 0.00 1.20 3.00 -1.26 -4.57 116.66 115.61 3k3w n ARG 146 Ca 0.08 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.03 3k3w n ARG 146 Cb 0.36 -0.87 -0.02 0.00 0.00 0.00 0.00 32.46 31.93 3k3w n ARG 146 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3k3w n PHE 147 N -2.30 0.00 0.00 -0.14 3.72 -1.23 -4.51 117.46 112.99 3k3w n PHE 147 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3k3w n PHE 147 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 3k3w n PHE 147 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3k3w n SER 148 N -0.26 1.43 -0.64 4.37 2.88 -1.25 -4.67 113.62 115.49 3k3w n SER 148 Ca 0.08 -0.21 0.13 0.00 -1.33 0.00 0.00 58.87 57.54 3k3w n SER 148 Cb 0.41 0.70 0.33 0.00 -0.75 0.00 0.00 64.21 64.90 3k3w n SER 148 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3k3w n ASP 149 N -0.85 2.04 -4.68 -3.46 2.03 -1.14 -4.96 116.55 105.54 3k3w n ASP 149 Ca 0.00 -1.64 -0.44 0.00 0.52 0.00 0.00 54.79 53.23 3k3w n ASP 149 Cb 0.00 0.03 -0.04 0.00 -0.72 0.00 0.00 41.12 40.40 3k3w n ASP 149 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3k3w n THR 150 N 0.54 0.49 -3.73 5.18 -2.24 -1.26 -4.98 114.28 108.28 3k3w n THR 150 Ca 0.16 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.73 3k3w n THR 150 Cb 0.45 -2.05 -0.13 0.00 -2.10 0.00 0.00 70.33 66.50 3k3w n THR 150 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3k3w s ASN 151 N 3.35 -0.23 -0.16 3.42 2.47 -1.26 -5.04 114.94 117.49 3k3w s ASN 151 Ca 0.86 0.52 0.15 0.00 0.42 0.00 0.00 52.86 54.81 3k3w s ASN 151 Cb -0.54 0.41 0.43 0.00 -1.45 0.00 0.00 41.25 40.09 3k3w s ASN 151 CO 0.42 -0.17 1.21 0.18 -3.72 0.00 0.00 177.10 175.02 3k3w n LEU 152 N 4.29 2.37 -0.04 3.21 4.32 -1.26 -4.86 117.00 125.03 3k3w n LEU 152 Ca -0.24 -3.47 -0.14 0.00 -0.02 0.00 0.00 56.01 52.14 3k3w n LEU 152 Cb 0.53 -0.38 -0.09 0.00 -1.62 0.00 0.00 43.42 41.86 3k3w n LEU 152 CO 0.14 1.21 0.56 -0.33 -1.22 0.00 0.00 177.39 177.75 3k3w h GLU 153 N 1.07 0.23 -0.31 3.23 5.08 -1.99 -2.68 114.58 119.21 3k3w h GLU 153 Ca -0.04 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3k3w h GLU 153 Cb 1.24 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3k3w h GLU 153 CO 0.06 0.72 0.15 0.28 -1.00 0.00 0.00 179.01 179.21 3k3w h VAL 154 N -0.24 1.16 0.00 3.13 2.07 -2.00 -1.64 116.25 118.73 3k3w h VAL 154 Ca 0.01 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 3k3w h VAL 154 Cb 0.70 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3k3w h VAL 154 CO 0.03 0.16 -0.29 0.00 0.02 0.00 0.00 177.57 177.50 3k3w h THR 155 N 0.37 0.78 -0.21 2.57 1.03 -1.94 -1.10 112.91 114.41 3k3w h THR 155 Ca 0.11 -1.19 -0.18 0.00 -0.01 0.00 0.00 66.41 65.13 3k3w h THR 155 Cb 0.12 1.74 -0.00 0.00 -1.07 0.00 0.00 68.15 68.94 3k3w h THR 155 CO -0.01 0.28 -0.60 0.00 -0.01 0.00 0.00 175.52 175.17 3k3w h ALA 156 N 1.71 0.55 -0.29 0.00 0.00 -1.14 -2.81 119.26 117.28 3k3w h ALA 156 Ca -0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.19 3k3w h ALA 156 Cb 0.72 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3k3w h ALA 156 CO 0.04 0.69 -0.53 1.25 0.00 0.00 0.00 179.25 180.70 3k3w h LEU 157 N 0.52 0.95 -2.42 0.00 6.46 -0.99 -2.93 115.31 116.90 3k3w h LEU 157 Ca -0.00 -0.50 -0.01 0.00 -0.12 0.00 0.00 57.88 57.25 3k3w h LEU 157 Cb 1.19 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.84 3k3w h LEU 157 CO 0.12 1.29 -0.03 0.00 -0.62 0.00 0.00 178.44 179.21 3k3w h ALA 158 N 0.73 1.18 -0.08 1.25 0.00 -1.22 -1.67 119.26 119.44 3k3w h ALA 158 Ca 0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3k3w h ALA 158 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3k3w h ALA 158 CO 0.12 0.04 -0.32 1.98 0.00 0.00 0.00 179.25 181.07 3k3w h MET 159 N 0.00 0.36 -0.46 0.00 1.85 -1.31 -2.75 114.93 112.63 3k3w h MET 159 Ca -0.00 -0.28 0.01 0.00 -0.61 0.00 0.00 59.70 58.82 3k3w h MET 159 Cb 0.15 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.21 3k3w h MET 159 CO 0.00 0.91 0.29 -0.09 -0.40 0.00 0.00 176.91 177.63 3k3w h ARG 160 N -0.11 0.58 -0.84 0.39 2.43 -1.29 -1.69 114.38 113.84 3k3w h ARG 160 Ca -0.02 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3k3w h ARG 160 Cb 0.95 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 3k3w h ARG 160 CO 0.07 0.38 0.56 1.96 -1.51 0.00 0.00 179.97 181.43 3k3w h GLN 161 N 0.60 1.10 -0.25 0.20 7.50 -1.39 0.31 115.11 123.18 3k3w h GLN 161 Ca 0.17 -0.07 -0.15 0.00 0.50 0.00 0.00 58.65 59.11 3k3w h GLN 161 Cb -0.05 -0.25 -0.01 0.00 0.05 0.00 0.00 27.48 27.23 3k3w h GLN 161 CO -0.05 0.73 -0.45 1.03 -1.50 0.00 0.00 178.83 178.59 3k3w h SER 162 N 1.13 0.70 0.38 1.46 0.87 -1.35 -3.12 113.55 113.62 3k3w h SER 162 Ca 0.31 -0.33 -0.16 0.00 -1.23 0.00 0.00 61.79 60.38 3k3w h SER 162 Cb -0.12 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 3k3w h SER 162 CO -0.07 1.05 -0.66 -0.07 -0.53 0.00 0.00 176.83 176.54 3k3w h LEU 163 N 0.52 0.30 0.00 2.23 3.38 -0.93 -3.19 115.31 117.62 3k3w h LEU 163 Ca 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3k3w h LEU 163 Cb 0.99 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3k3w h LEU 163 CO 0.09 0.88 0.00 -0.62 0.09 0.00 0.00 178.44 178.88 3k3w n GLU 164 N -3.83 0.22 0.00 1.13 1.02 0.11 -0.41 120.64 118.87 3k3w n GLU 164 Ca -0.03 0.10 0.07 0.00 -0.02 0.00 0.00 57.16 57.28 3k3w n GLU 164 Cb 0.66 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.58 3k3w n GLU 164 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3k3w n LYS 165 N -1.35 1.74 0.00 3.49 5.02 -1.19 -3.17 118.16 122.69 3k3w n LYS 165 Ca 0.09 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.59 3k3w n LYS 165 Cb 0.19 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3k3w n LYS 165 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3k3w n GLN 166 N -0.12 3.50 0.00 1.97 7.27 -1.07 -4.87 117.38 124.05 3k3w n GLN 166 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.13 3k3w n GLN 166 Cb 0.31 -0.59 0.00 0.00 2.41 0.00 0.00 30.24 32.37 3k3w n GLN 166 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3k3w n HIS 167 N -0.89 0.00 -0.58 3.69 8.25 0.46 -5.08 115.22 121.07 3k3w n HIS 167 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 3k3w n HIS 167 Cb 0.00 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.38 3k3w n HIS 167 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3k3w s GLY 168 N -0.67 1.48 0.00 -1.41 0.00 -0.42 -3.09 107.32 103.20 3k3w s GLY 168 Ca 0.00 -0.68 0.22 0.00 0.00 0.00 0.00 44.72 44.26 3k3w s GLY 168 CO 0.00 0.23 1.44 -1.55 0.00 0.00 0.00 173.10 173.22 3k3w n PRO 169 N -5.27 2.32 -0.10 2.90 -0.04 -1.26 -4.71 135.00 128.84 3k3w n PRO 169 Ca 0.10 -2.00 -0.21 0.00 -0.04 0.00 0.00 63.50 61.35 3k3w n PRO 169 Cb 0.59 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 32.45 3k3w n PRO 169 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3k3w h GLU 170 N 3.84 0.01 -0.56 0.54 4.57 -1.94 -3.39 114.58 117.65 3k3w h GLU 170 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3k3w h GLU 170 Cb 0.85 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3k3w h GLU 170 CO 0.00 1.01 0.00 0.54 -1.18 0.00 0.00 179.01 179.38 3k3w n ARG 171 N -4.42 2.63 0.06 1.92 1.74 -1.18 -4.37 116.66 113.04 3k3w n ARG 171 Ca -0.30 -2.42 -0.09 0.00 -0.77 0.00 0.00 57.85 54.27 3k3w n ARG 171 Cb 0.68 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.50 3k3w n ARG 171 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3k3w h GLY 172 N 3.87 0.07 0.66 -0.13 0.00 -1.74 -3.30 103.07 102.51 3k3w h GLY 172 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3k3w h GLY 172 CO 0.00 0.16 -1.35 0.54 0.00 0.00 0.00 176.54 175.89 3k3w n ARG 173 N -3.35 0.62 -0.02 4.80 1.74 -1.26 -3.65 116.66 115.54 3k3w n ARG 173 Ca -0.05 0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 56.95 3k3w n ARG 173 Cb 0.97 -1.73 0.04 0.00 -1.02 0.00 0.00 32.46 30.73 3k3w n ARG 173 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k3w h ALA 174 N 1.98 0.68 0.00 7.54 0.00 -1.76 -2.17 119.26 125.53 3k3w h ALA 174 Ca -0.01 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 3k3w h ALA 174 Cb 1.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3k3w h ALA 174 CO 0.00 0.68 -0.60 -0.07 0.00 0.00 0.00 179.25 179.27 3k3w h LEU 175 N 0.49 0.00 -1.08 0.00 3.38 -1.73 -3.22 115.31 113.15 3k3w h LEU 175 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3k3w h LEU 175 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3k3w h LEU 175 CO 0.10 0.60 -0.22 0.15 0.09 0.00 0.00 178.44 179.15 3k3w h PHE 176 N 0.00 0.42 0.00 1.13 3.57 -1.56 -2.30 116.94 118.20 3k3w h PHE 176 Ca -0.01 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 3k3w h PHE 176 Cb 1.27 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3k3w h PHE 176 CO 0.00 0.59 -0.19 -0.44 -2.23 0.00 0.00 178.31 176.04 3k3w h ASP 177 N 0.35 0.00 0.47 0.41 5.19 -1.41 -1.11 116.42 120.33 3k3w h ASP 177 Ca 0.06 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.16 3k3w h ASP 177 Cb 0.59 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.10 3k3w h ASP 177 CO 0.04 0.19 -1.48 -0.33 -3.12 0.00 0.00 179.24 174.55 3k3w h GLU 178 N 0.00 0.27 0.00 3.56 4.39 -1.55 -3.34 114.58 117.92 3k3w h GLU 178 Ca -0.00 -0.46 -0.08 0.00 0.34 0.00 0.00 59.36 59.15 3k3w h GLU 178 Cb 0.82 0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.65 3k3w h GLU 178 CO 0.02 1.15 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.62 3k3w h LEU 179 N 0.07 0.29 -7.86 1.33 3.38 -1.39 -3.43 115.31 107.69 3k3w h LEU 179 Ca -0.22 -0.78 -0.58 0.00 0.09 0.00 0.00 57.88 56.38 3k3w h LEU 179 Cb 2.02 -0.09 -0.36 0.00 0.09 0.00 0.00 40.66 42.32 3k3w h LEU 179 CO 0.18 1.04 -0.83 -0.76 0.09 0.00 0.00 178.44 178.15 3k3w s LEU 180 N -8.45 1.58 -0.14 1.67 1.43 -0.42 -5.11 118.68 109.24 3k3w s LEU 180 Ca -0.15 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 3k3w s LEU 180 Cb 0.01 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 3k3w s LEU 180 CO 0.76 -0.06 -0.07 -1.66 0.23 0.00 0.00 176.35 175.55 3k3w s TRP 181 N 1.49 2.95 0.09 0.29 -2.14 -1.25 -4.07 118.94 116.30 3k3w s TRP 181 Ca 0.04 -0.37 -0.32 0.00 2.66 0.00 0.00 56.10 58.11 3k3w s TRP 181 Cb -0.13 -1.89 -0.14 0.00 -3.10 0.00 0.00 33.47 28.21 3k3w s TRP 181 CO -0.09 -0.05 1.60 -0.84 -2.66 0.00 0.00 176.95 174.91 3k3w h ILE 182 N 5.13 0.19 -3.77 0.66 -0.00 -1.96 -3.41 117.51 114.34 3k3w h ILE 182 Ca -0.31 0.00 -0.68 0.00 -0.00 0.00 0.00 64.86 63.87 3k3w h ILE 182 Cb 1.20 0.19 -0.23 0.00 -0.00 0.00 0.00 36.82 37.97 3k3w h ILE 182 CO 0.60 0.00 -0.75 0.21 -0.00 0.00 0.00 178.15 178.21 3k3w s ASN 183 N -4.54 4.21 0.88 2.16 3.84 -1.26 -5.12 114.94 115.11 3k3w s ASN 183 Ca -0.17 -0.18 -0.13 0.00 0.21 0.00 0.00 52.86 52.59 3k3w s ASN 183 Cb 0.06 -1.12 0.04 0.00 -0.55 0.00 0.00 41.25 39.67 3k3w s ASN 183 CO 0.62 0.30 0.62 -0.67 -2.79 0.00 0.00 177.10 175.18 3k3w n ASP 184 N 2.59 -1.23 -4.48 -4.21 -0.08 -1.26 -4.97 116.55 102.91 3k3w n ASP 184 Ca -0.18 0.43 -0.38 0.00 -1.51 0.00 0.00 54.79 53.15 3k3w n ASP 184 Cb 0.52 -1.28 0.04 0.00 2.34 0.00 0.00 41.12 42.74 3k3w n ASP 184 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3k3w n THR 185 N -3.36 2.38 1.14 5.18 -1.04 -1.26 -4.89 114.28 112.43 3k3w n THR 185 Ca 0.09 -0.50 0.13 0.00 -2.04 0.00 0.00 64.05 61.73 3k3w n THR 185 Cb 0.52 -0.72 0.48 0.00 -1.82 0.00 0.00 70.33 68.79 3k3w n THR 185 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3k3w n THR 186 N -1.65 0.00 0.20 12.58 -1.04 -1.26 -3.94 114.28 119.17 3k3w n THR 186 Ca 0.12 -0.03 0.04 0.00 -2.04 0.00 0.00 64.05 62.14 3k3w n THR 186 Cb 0.47 -0.08 0.42 0.00 -1.82 0.00 0.00 70.33 69.32 3k3w n THR 186 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k3w h ALA 187 N 3.23 1.47 -1.93 2.41 0.00 -2.04 -3.47 119.26 118.93 3k3w h ALA 187 Ca 0.00 -0.28 -0.48 0.00 0.00 0.00 0.00 54.91 54.16 3k3w h ALA 187 Cb 0.45 -0.05 0.22 0.00 0.00 0.00 0.00 17.79 18.42 3k3w h ALA 187 CO 0.00 0.38 -0.69 -2.30 0.00 0.00 0.00 179.25 176.64 3k3w n PRO 188 N -4.13 -1.30 -3.76 0.00 -0.02 -1.25 -5.00 135.00 119.54 3k3w n PRO 188 Ca -0.02 -0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 60.75 3k3w n PRO 188 Cb 0.35 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 3k3w n PRO 188 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3k3w s THR 189 N -2.33 5.32 -0.02 3.45 2.01 -1.26 -5.10 115.64 117.71 3k3w s THR 189 Ca 0.59 0.30 0.05 0.00 0.31 0.00 0.00 61.69 62.93 3k3w s THR 189 Cb -0.17 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 3k3w s THR 189 CO 0.66 0.49 -0.16 0.42 -0.69 0.00 0.00 174.62 175.33 3k3w s THR 190 N -1.17 1.31 0.18 -0.82 -4.23 -1.26 -5.05 115.64 104.61 3k3w s THR 190 Ca 0.23 -0.70 -0.11 0.00 -1.18 0.00 0.00 61.69 59.93 3k3w s THR 190 Cb -0.13 -1.10 0.09 0.00 1.34 0.00 0.00 72.50 72.70 3k3w s THR 190 CO 0.12 0.37 1.76 1.62 -0.54 0.00 0.00 174.62 177.95 3k3w h VAL 191 N 4.87 1.23 -3.15 2.29 3.04 -2.07 -3.41 116.25 119.04 3k3w h VAL 191 Ca -0.35 -0.66 -0.55 0.00 -1.01 0.00 0.00 66.70 64.13 3k3w h VAL 191 Cb 1.16 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 30.91 3k3w h VAL 191 CO 0.48 0.27 0.63 -2.84 -1.01 0.00 0.00 177.57 175.10 3k3w s PRO 192 N -5.64 4.40 -0.20 4.17 0.02 -1.26 -4.94 135.00 131.55 3k3w s PRO 192 Ca -0.13 1.65 -0.35 0.00 0.02 0.00 0.00 61.00 62.20 3k3w s PRO 192 Cb 0.13 -3.50 -0.11 0.00 0.02 0.00 0.00 34.50 31.04 3k3w s PRO 192 CO 0.80 -0.35 1.99 0.00 -0.33 0.00 0.00 177.00 179.10 3k3w n ALA 193 N 4.76 0.89 -2.70 -1.55 0.00 -1.26 -4.89 120.51 115.76 3k3w n ALA 193 Ca 0.10 0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 3k3w n ALA 193 Cb 0.47 -2.52 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 3k3w n ALA 193 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3k3w s PRO 194 N 4.84 3.60 -1.68 0.00 0.04 -1.26 -4.39 135.00 136.15 3k3w s PRO 194 Ca 0.99 -1.38 -0.14 0.00 0.04 0.00 0.00 61.00 60.51 3k3w s PRO 194 Cb -0.75 -5.20 0.13 0.00 0.04 0.00 0.00 34.50 28.72 3k3w s PRO 194 CO 0.51 -2.05 0.56 0.00 0.04 0.00 0.00 177.00 176.06 3k3w n ALA 195 N 8.01 -1.48 -1.87 8.56 0.00 -1.26 -5.20 120.51 127.28 3k3w n ALA 195 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3k3w n ALA 195 Cb 0.50 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.45 3k3w n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50