#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1w s VAL 2 N 0.00 4.31 -0.05 6.31 1.01 -1.26 -4.07 120.40 126.64 2r1w s VAL 2 Ca 0.00 1.77 0.03 0.00 0.00 0.00 0.00 61.98 63.78 2r1w s VAL 2 Cb 0.00 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2r1w s VAL 2 CO 0.00 0.20 -0.15 -0.54 0.00 0.00 0.00 175.10 174.61 2r1w s LYS 3 N 0.53 1.73 -0.05 2.72 -0.14 -0.59 -5.00 119.74 118.95 2r1w s LYS 3 Ca 0.53 -0.51 0.03 0.00 -1.36 0.00 0.00 55.97 54.65 2r1w s LYS 3 Cb -0.26 -1.46 0.01 0.00 -1.68 0.00 0.00 37.83 34.44 2r1w s LYS 3 CO 0.30 0.14 -0.13 -0.51 -0.76 0.00 0.00 175.35 174.40 2r1w s LEU 4 N 0.31 1.72 -0.15 3.17 1.43 -1.26 -1.74 118.68 122.17 2r1w s LEU 4 Ca -0.09 -0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 2r1w s LEU 4 Cb -0.13 -0.81 0.05 0.00 0.03 0.00 0.00 46.19 45.33 2r1w s LEU 4 CO 0.03 0.06 0.07 -0.69 0.23 0.00 0.00 176.35 176.05 2r1w s VAL 5 N 0.47 0.09 0.38 -1.59 1.01 -0.10 -4.16 120.40 116.50 2r1w s VAL 5 Ca -0.11 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.53 2r1w s VAL 5 Cb -0.14 -0.62 -0.10 0.00 0.00 0.00 0.00 36.38 35.52 2r1w s VAL 5 CO 0.03 -0.15 0.89 -1.61 0.00 0.00 0.00 175.10 174.26 2r1w s GLU 6 N 2.06 4.22 0.07 2.72 8.01 -1.26 -1.49 118.70 133.03 2r1w s GLU 6 Ca 0.02 1.03 -0.05 0.00 0.01 0.00 0.00 54.97 55.98 2r1w s GLU 6 Cb -0.15 -2.34 -0.02 0.00 -4.31 0.00 0.00 34.13 27.31 2r1w s GLU 6 CO -0.08 0.07 0.09 -1.12 0.01 0.00 0.00 175.26 174.23 2r1w s SER 7 N -2.12 0.29 0.00 -0.19 0.01 -0.14 -4.79 113.70 106.77 2r1w s SER 7 Ca 0.58 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2r1w s SER 7 Cb -0.11 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2r1w s SER 7 CO 0.16 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2r1w n GLY 8 N 0.02 0.77 3.74 3.44 0.00 -1.26 -1.26 105.19 110.64 2r1w n GLY 8 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2r1w n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r1w s GLY 9 N -1.67 2.41 0.00 -0.02 0.00 -1.26 -4.80 107.32 101.98 2r1w s GLY 9 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.58 2r1w s GLY 9 CO 0.00 1.26 0.00 0.61 0.00 0.00 0.00 173.10 174.97 2r1w n GLY 10 N 0.28 -0.55 3.77 0.20 0.00 -0.52 -4.87 105.19 103.50 2r1w n GLY 10 Ca 0.13 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 2r1w n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r1w s LEU 11 N 0.00 4.37 0.01 0.99 2.96 -1.26 -1.12 118.68 124.64 2r1w s LEU 11 Ca 0.00 0.94 -0.03 0.00 -0.22 0.00 0.00 54.13 54.81 2r1w s LEU 11 Cb 0.00 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 2r1w s LEU 11 CO 0.00 0.14 0.05 0.54 -1.32 0.00 0.00 176.35 175.76 2r1w s VAL 12 N -0.14 0.09 0.55 1.68 0.11 -0.12 -4.97 120.40 117.60 2r1w s VAL 12 Ca 0.26 -0.76 -0.16 0.00 -2.93 0.00 0.00 61.98 58.39 2r1w s VAL 12 Cb -0.16 -0.33 -0.06 0.00 -1.53 0.00 0.00 36.38 34.30 2r1w s VAL 12 CO 0.13 -0.42 1.01 -1.10 -3.33 0.00 0.00 175.10 171.39 2r1w s GLN 13 N -1.34 3.73 0.30 1.54 -0.21 -1.25 -1.12 119.66 121.32 2r1w s GLN 13 Ca -0.15 1.02 -0.29 0.00 0.02 0.00 0.00 55.36 55.96 2r1w s GLN 13 Cb -0.08 -2.10 -0.13 0.00 1.00 0.00 0.00 33.01 31.70 2r1w s GLN 13 CO 0.00 -0.45 1.37 0.45 -2.12 0.00 0.00 175.29 174.54 2r1w n SER 14 N -1.79 2.94 0.00 5.90 2.88 -1.26 -1.17 113.62 121.11 2r1w n SER 14 Ca 0.07 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 2r1w n SER 14 Cb 0.54 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 2r1w n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r1w n GLY 15 N 1.38 2.52 3.55 0.46 0.00 0.76 -4.93 105.19 108.93 2r1w n GLY 15 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 2r1w n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r1w n GLY 16 N -2.00 -2.03 3.35 -0.02 0.00 -0.32 -4.01 105.19 100.16 2r1w n GLY 16 Ca 0.00 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.20 2r1w n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r1w s SER 17 N -5.10 2.67 -0.13 1.61 0.01 -1.26 -1.79 113.70 109.71 2r1w s SER 17 Ca 0.70 -0.96 -0.19 0.00 1.31 0.00 0.00 55.95 56.82 2r1w s SER 17 Cb -0.04 -0.15 0.05 0.00 0.21 0.00 0.00 66.02 66.08 2r1w s SER 17 CO 0.51 -0.11 0.49 -0.22 0.41 0.00 0.00 173.24 174.32 2r1w s LEU 18 N -3.07 0.14 -0.14 2.44 2.96 0.21 -5.01 118.68 116.22 2r1w s LEU 18 Ca 0.20 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 54.90 2r1w s LEU 18 Cb -0.03 1.74 0.01 0.00 0.50 0.00 0.00 46.19 48.41 2r1w s LEU 18 CO 0.07 -0.30 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.00 2r1w s ARG 19 N -0.29 3.08 0.08 1.98 3.52 -1.26 -0.11 118.95 125.95 2r1w s ARG 19 Ca -0.04 -0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 54.71 2r1w s ARG 19 Cb -0.03 -2.46 -0.05 0.00 -1.56 0.00 0.00 34.95 30.85 2r1w s ARG 19 CO 0.03 0.03 0.26 -0.51 -0.81 0.00 0.00 175.30 174.30 2r1w s LEU 20 N 0.73 4.33 0.25 -0.88 1.02 0.14 -4.73 118.68 119.54 2r1w s LEU 20 Ca -0.08 0.39 0.11 0.00 0.02 0.00 0.00 54.13 54.56 2r1w s LEU 20 Cb -0.16 -3.02 -0.05 0.00 0.02 0.00 0.00 46.19 42.98 2r1w s LEU 20 CO 0.00 0.15 -0.20 -0.94 0.02 0.00 0.00 176.35 175.38 2r1w s SER 21 N -2.40 3.38 -0.23 2.29 1.04 -0.39 -1.00 113.70 116.39 2r1w s SER 21 Ca 0.36 -0.99 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 2r1w s SER 21 Cb -0.13 -0.26 0.09 0.00 0.10 0.00 0.00 66.02 65.82 2r1w s SER 21 CO 0.26 0.02 0.14 0.00 0.98 0.00 0.00 173.24 174.64 2r1w s ALA 23 N 2.17 3.45 0.13 0.00 0.00 -0.56 -0.41 121.76 126.54 2r1w s ALA 23 Ca 0.06 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.29 2r1w s ALA 23 Cb -0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2r1w s ALA 23 CO -0.23 0.20 -0.14 0.95 0.00 0.00 0.00 175.76 176.53 2r1w s THR 24 N -0.54 1.38 0.23 0.00 -4.23 -0.64 -0.93 115.64 110.91 2r1w s THR 24 Ca 0.35 -1.73 -0.19 0.00 -1.18 0.00 0.00 61.69 58.93 2r1w s THR 24 Cb -0.21 -1.56 0.03 0.00 1.34 0.00 0.00 72.50 72.10 2r1w s THR 24 CO 0.22 -0.40 0.61 -0.94 -0.54 0.00 0.00 174.62 173.56 2r1w s SER 25 N -2.47 -0.28 0.00 3.99 1.04 -0.71 -4.81 113.70 110.46 2r1w s SER 25 Ca 0.09 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2r1w s SER 25 Cb -0.05 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2r1w s SER 25 CO 0.03 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.69 2r1w n GLY 26 N -0.40 0.79 3.53 7.32 0.00 -1.26 -1.54 105.19 113.63 2r1w n GLY 26 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2r1w n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2r1w s PHE 27 N -2.19 -0.42 -0.81 1.61 -0.71 -1.26 -4.48 117.98 109.72 2r1w s PHE 27 Ca 0.00 0.15 -0.25 0.00 -1.04 0.00 0.00 56.93 55.78 2r1w s PHE 27 Cb 0.00 0.58 0.01 0.00 -1.21 0.00 0.00 43.02 42.40 2r1w s PHE 27 CO 0.00 -0.94 1.53 0.99 -1.34 0.00 0.00 175.22 175.46 2r1w s THR 28 N -3.80 3.66 0.21 -4.49 2.01 -1.26 -4.87 115.64 107.10 2r1w s THR 28 Ca 0.04 -0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.88 2r1w s THR 28 Cb -0.02 -4.64 0.15 0.00 0.01 0.00 0.00 72.50 68.00 2r1w s THR 28 CO -0.08 -1.57 1.72 0.15 -0.69 0.00 0.00 174.62 174.15 2r1w h PHE 29 N 11.12 0.26 0.00 4.92 3.57 -1.96 -1.52 116.94 133.33 2r1w h PHE 29 Ca -0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2r1w h PHE 29 Cb 1.06 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2r1w h PHE 29 CO 1.17 0.01 0.00 1.79 -2.23 0.00 0.00 178.31 179.05 2r1w h THR 30 N 0.30 0.00 0.00 4.41 1.35 -1.91 -2.07 112.91 114.99 2r1w h THR 30 Ca 0.30 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2r1w h THR 30 Cb 0.43 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2r1w h THR 30 CO -0.36 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.35 2r1w h ASP 31 N 0.00 0.00 -3.85 5.36 3.32 -1.68 -1.30 116.42 118.27 2r1w h ASP 31 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 2r1w h ASP 31 Cb 0.36 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.66 2r1w h ASP 31 CO 0.00 0.00 -0.79 -0.31 -1.72 0.00 0.00 179.24 176.42 2r1w s TYR 32 N -3.58 2.68 0.71 4.55 2.02 -0.78 -4.50 117.35 118.45 2r1w s TYR 32 Ca 0.02 -0.39 -0.15 0.00 -0.37 0.00 0.00 57.07 56.19 2r1w s TYR 32 Cb 0.09 -1.68 0.03 0.00 -0.40 0.00 0.00 41.96 40.00 2r1w s TYR 32 CO 0.51 0.01 1.17 0.71 -1.57 0.00 0.00 175.55 176.37 2r1w s TYR 33 N -0.34 2.24 -0.03 2.71 1.51 0.84 -4.09 117.35 120.19 2r1w s TYR 33 Ca 0.03 1.59 0.02 0.00 -1.01 0.00 0.00 57.07 57.70 2r1w s TYR 33 Cb -0.13 -3.36 0.01 0.00 -0.11 0.00 0.00 41.96 38.38 2r1w s TYR 33 CO 0.02 -2.28 -0.06 -1.64 -1.11 0.00 0.00 175.55 170.48 2r1w s MET 34 N -4.01 0.75 0.25 -0.62 -1.94 -0.49 -1.04 119.30 112.20 2r1w s MET 34 Ca 0.71 -0.19 0.08 0.00 -1.71 0.00 0.00 55.69 54.59 2r1w s MET 34 Cb -0.26 -0.73 -0.04 0.00 2.01 0.00 0.00 34.83 35.81 2r1w s MET 34 CO 0.44 0.04 0.07 -1.12 -0.01 0.00 0.00 175.02 174.44 2r1w s SER 35 N 0.40 4.93 -0.06 3.03 0.01 0.02 -1.65 113.70 120.38 2r1w s SER 35 Ca -0.05 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 56.78 2r1w s SER 35 Cb -0.09 -1.07 -0.02 0.00 0.21 0.00 0.00 66.02 65.04 2r1w s SER 35 CO 0.00 -0.00 -0.16 0.26 0.41 0.00 0.00 173.24 173.76 2r1w s TRP 36 N -2.18 2.67 -0.01 2.43 0.52 -0.64 -1.05 118.94 120.69 2r1w s TRP 36 Ca 0.31 -0.25 0.02 0.00 0.02 0.00 0.00 56.10 56.20 2r1w s TRP 36 Cb -0.07 -1.64 0.00 0.00 -1.15 0.00 0.00 33.47 30.61 2r1w s TRP 36 CO 0.22 0.11 -0.05 0.08 0.02 0.00 0.00 176.95 177.33 2r1w s VAL 37 N -0.58 0.43 0.35 4.03 1.01 0.07 -1.04 120.40 124.66 2r1w s VAL 37 Ca 0.08 -0.19 0.09 0.00 0.00 0.00 0.00 61.98 61.96 2r1w s VAL 37 Cb -0.11 -0.39 -0.06 0.00 0.00 0.00 0.00 36.38 35.82 2r1w s VAL 37 CO 0.01 0.14 -0.04 0.00 0.00 0.00 0.00 175.10 175.21 2r1w s ARG 38 N 0.12 1.93 -0.24 2.72 1.70 -0.02 -0.25 118.95 124.91 2r1w s ARG 38 Ca -0.01 -1.89 -0.02 0.00 -0.47 0.00 0.00 55.73 53.34 2r1w s ARG 38 Cb -0.05 -1.78 0.12 0.00 -0.57 0.00 0.00 34.95 32.67 2r1w s ARG 38 CO -0.00 0.11 0.31 -1.14 -1.08 0.00 0.00 175.30 173.51 2r1w s GLN 39 N -3.66 0.30 0.57 3.89 0.74 0.68 -0.02 119.66 122.16 2r1w s GLN 39 Ca 0.34 0.28 -0.20 0.00 0.05 0.00 0.00 55.36 55.83 2r1w s GLN 39 Cb 0.02 -0.74 -0.04 0.00 1.10 0.00 0.00 33.01 33.35 2r1w s GLN 39 CO 0.18 -0.74 1.27 -2.14 -0.55 0.00 0.00 175.29 173.31 2r1w s PRO 40 N 2.44 3.05 -0.02 1.67 0.02 -1.26 -1.25 135.00 139.65 2r1w s PRO 40 Ca 0.10 2.01 -0.37 0.00 0.02 0.00 0.00 61.00 62.76 2r1w s PRO 40 Cb -0.15 -2.09 -0.15 0.00 0.02 0.00 0.00 34.50 32.13 2r1w s PRO 40 CO -0.18 -1.19 1.55 -2.30 -0.33 0.00 0.00 177.00 174.54 2r1w n PRO 41 N -1.31 1.41 -1.03 5.54 -0.02 -1.26 -1.42 135.00 136.91 2r1w n PRO 41 Ca 0.12 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 62.10 2r1w n PRO 41 Cb 0.47 -2.21 -0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2r1w n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r1w n GLY 42 N 3.33 0.38 2.69 -1.23 0.00 -1.26 -5.00 105.19 104.10 2r1w n GLY 42 Ca 0.21 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 2r1w n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r1w n LYS 43 N -1.50 1.09 -2.01 1.61 5.02 -0.51 -5.14 118.16 116.74 2r1w n LYS 43 Ca -0.01 -2.74 -0.31 0.00 -2.02 0.00 0.00 58.31 53.23 2r1w n LYS 43 Cb 0.22 0.73 -0.00 0.00 -0.02 0.00 0.00 35.03 35.95 2r1w n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r1w s ALA 44 N -2.65 3.09 0.43 7.82 0.00 -1.26 -4.70 121.76 124.50 2r1w s ALA 44 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.68 2r1w s ALA 44 Cb -0.00 -3.09 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 2r1w s ALA 44 CO 0.00 -0.57 1.43 -0.51 0.00 0.00 0.00 175.76 176.11 2r1w s LEU 45 N -4.89 4.16 -0.14 0.00 1.43 -1.26 -4.41 118.68 113.57 2r1w s LEU 45 Ca 0.56 2.93 -0.01 0.00 -1.03 0.00 0.00 54.13 56.58 2r1w s LEU 45 Cb -0.11 -3.88 0.04 0.00 0.03 0.00 0.00 46.19 42.27 2r1w s LEU 45 CO 0.48 -1.10 -0.04 -0.70 0.23 0.00 0.00 176.35 175.22 2r1w s GLU 46 N -2.37 1.22 0.21 1.70 2.12 0.98 -4.98 118.70 117.58 2r1w s GLU 46 Ca 0.59 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 55.30 2r1w s GLU 46 Cb -0.44 -1.71 -0.09 0.00 0.26 0.00 0.00 34.13 32.15 2r1w s GLU 46 CO 0.57 -0.38 1.31 -0.46 -0.54 0.00 0.00 175.26 175.75 2r1w s TRP 47 N 1.74 3.25 -0.13 5.30 -0.00 -1.26 -0.84 118.94 126.99 2r1w s TRP 47 Ca 0.03 1.23 0.07 0.00 -0.00 0.00 0.00 56.10 57.42 2r1w s TRP 47 Cb -0.14 -3.61 -0.13 0.00 -0.00 0.00 0.00 33.47 29.60 2r1w s TRP 47 CO -0.07 -1.88 -0.03 1.28 -0.00 0.00 0.00 176.95 176.25 2r1w n LEU 48 N 2.53 1.24 0.00 5.86 4.77 -0.21 -4.63 117.00 126.56 2r1w n LEU 48 Ca 0.06 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2r1w n LEU 48 Cb 0.43 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2r1w n LEU 48 CO 0.58 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 2r1w n GLY 49 N 2.48 1.78 3.24 -0.72 0.00 -1.22 -1.01 105.19 109.74 2r1w n GLY 49 Ca -0.22 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 2r1w n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2r1w s PHE 50 N -2.00 1.26 -0.06 1.61 -0.12 -0.30 -1.63 117.98 116.74 2r1w s PHE 50 Ca 0.00 -1.19 0.03 0.00 -0.05 0.00 0.00 56.93 55.72 2r1w s PHE 50 Cb 0.00 -0.70 0.01 0.00 -0.63 0.00 0.00 43.02 41.69 2r1w s PHE 50 CO 0.00 -0.40 -0.15 -1.50 -0.05 0.00 0.00 175.22 173.13 2r1w s ILE 51 N -3.86 1.30 1.00 -4.49 2.07 -0.66 -1.54 121.20 115.03 2r1w s ILE 51 Ca 0.32 -0.60 -0.16 0.00 -1.41 0.00 0.00 60.65 58.80 2r1w s ILE 51 Cb 0.07 -1.15 0.20 0.00 0.13 0.00 0.00 42.46 41.71 2r1w s ILE 51 CO 0.09 0.39 1.20 -0.13 -1.91 0.00 0.00 174.94 174.58 2r1w s ARG 52 N 0.39 0.37 0.83 3.50 0.52 0.12 -1.40 118.95 123.28 2r1w s ARG 52 Ca -0.11 -0.08 -0.08 0.00 -0.52 0.00 0.00 55.73 54.94 2r1w s ARG 52 Cb -0.14 -1.78 0.15 0.00 0.52 0.00 0.00 34.95 33.70 2r1w s ARG 52 CO 0.04 -2.65 1.15 0.54 0.02 0.00 0.00 175.30 174.39 2r1w s ASN 52 N -4.35 3.82 0.21 0.23 2.20 -1.26 -4.01 114.94 111.79 2r1w s ASN 52 Ca 0.69 -0.01 -0.09 0.00 -0.94 0.00 0.00 52.86 52.52 2r1w s ASN 52 Cb -0.09 -0.24 0.26 0.00 -2.00 0.00 0.00 41.25 39.18 2r1w s ASN 52 CO 0.54 -2.24 1.80 0.50 -2.94 0.00 0.00 177.10 174.76 2r1w h LYS 52 N -1.04 0.63 -0.54 3.55 3.64 -1.55 -1.68 116.57 119.58 2r1w h LYS 52 Ca -0.41 -0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.09 2r1w h LYS 52 Cb 1.26 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2r1w h LYS 52 CO 0.41 0.42 0.41 0.00 -2.27 0.00 0.00 179.45 178.41 2r1w h ALA 52 N 1.37 2.47 -0.30 5.00 0.00 -1.93 -1.13 119.26 124.74 2r1w h ALA 52 Ca 0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2r1w h ALA 52 Cb 0.24 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2r1w h ALA 52 CO -0.21 -0.68 0.00 0.09 0.00 0.00 0.00 179.25 178.45 2r1w n ASN 52 N -4.28 3.49 -0.64 0.00 3.02 -0.71 -4.98 115.26 111.16 2r1w n ASN 52 Ca 0.10 -3.23 -0.08 0.00 -0.03 0.00 0.00 54.58 51.33 2r1w n ASN 52 Cb 0.63 -0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 39.19 2r1w n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2r1w n GLY 52 N -0.71 1.00 2.93 7.41 0.00 -0.43 -3.33 105.19 112.06 2r1w n GLY 52 Ca 0.25 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 2r1w n GLY 52 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2r1w n TYR 53 N -2.68 -1.66 -1.65 1.61 4.01 -0.73 -4.96 117.16 111.10 2r1w n TYR 53 Ca -0.08 0.31 -0.31 0.00 -0.16 0.00 0.00 57.90 57.66 2r1w n TYR 53 Cb 0.31 -3.38 0.05 0.00 -0.31 0.00 0.00 39.34 36.01 2r1w n TYR 53 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2r1w s THR 54 N -2.91 3.92 0.20 -0.72 -4.23 -1.21 -4.43 115.64 106.27 2r1w s THR 54 Ca 0.23 0.62 0.09 0.00 -1.18 0.00 0.00 61.69 61.45 2r1w s THR 54 Cb -0.11 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 2r1w s THR 54 CO 0.28 -0.82 -0.10 0.42 -0.54 0.00 0.00 174.62 173.87 2r1w s THR 55 N -3.12 3.13 0.04 3.99 -4.23 -1.26 0.15 115.64 114.34 2r1w s THR 55 Ca 0.58 -1.78 -0.03 0.00 -1.18 0.00 0.00 61.69 59.28 2r1w s THR 55 Cb -0.13 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 2r1w s THR 55 CO 0.54 -0.17 0.04 -1.61 -0.54 0.00 0.00 174.62 172.88 2r1w s GLU 56 N -3.01 0.52 0.02 3.99 0.41 -0.59 -5.00 118.70 115.05 2r1w s GLU 56 Ca 0.26 -0.81 0.02 0.00 -0.41 0.00 0.00 54.97 54.03 2r1w s GLU 56 Cb -0.08 0.20 -0.01 0.00 -1.78 0.00 0.00 34.13 32.45 2r1w s GLU 56 CO 0.16 -0.11 -0.06 0.71 -0.49 0.00 0.00 175.26 175.47 2r1w s TYR 57 N -2.57 0.49 0.48 1.61 2.02 -1.26 -1.15 117.35 116.97 2r1w s TYR 57 Ca -0.05 -0.29 -0.24 0.00 -0.37 0.00 0.00 57.07 56.12 2r1w s TYR 57 Cb -0.02 -0.30 -0.07 0.00 -0.40 0.00 0.00 41.96 41.17 2r1w s TYR 57 CO -0.05 -0.05 1.39 -1.13 -1.57 0.00 0.00 175.55 174.14 2r1w n SER 58 N 2.24 3.03 0.18 2.29 3.41 -0.18 -4.79 113.62 119.80 2r1w n SER 58 Ca -0.18 1.07 0.18 0.00 -0.26 0.00 0.00 58.87 59.69 2r1w n SER 58 Cb 0.57 -1.59 0.80 0.00 -0.26 0.00 0.00 64.21 63.73 2r1w n SER 58 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2r1w h PRO 59 N 1.97 0.00 -0.05 4.33 0.11 -1.95 -0.70 132.00 135.71 2r1w h PRO 59 Ca -0.51 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.62 2r1w h PRO 59 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 2r1w h PRO 59 CO 0.59 0.00 0.08 0.66 -0.21 0.00 0.00 178.00 179.12 2r1w h SER 60 N 0.00 0.00 0.00 -2.05 4.64 -1.95 -3.28 113.55 110.92 2r1w h SER 60 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2r1w h SER 60 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2r1w h SER 60 CO -0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 2r1w n VAL 61 N -3.60 0.00 -1.69 0.95 0.24 -0.64 -5.04 118.33 108.56 2r1w n VAL 61 Ca -0.02 -0.12 -0.44 0.00 -2.04 0.00 0.00 64.34 61.72 2r1w n VAL 61 Cb 0.17 1.27 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 2r1w n VAL 61 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2r1w n LYS 62 N -0.16 2.27 0.00 7.34 4.81 -0.36 -1.39 118.16 130.66 2r1w n LYS 62 Ca 0.00 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 2r1w n LYS 62 Cb 0.07 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.57 2r1w n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2r1w n GLY 63 N 2.78 2.17 0.02 3.14 0.00 -1.26 -4.80 105.19 107.24 2r1w n GLY 63 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 2r1w n GLY 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2r1w n ARG 64 N -2.00 1.99 -4.59 1.61 0.63 -0.49 -5.03 116.66 108.79 2r1w n ARG 64 Ca 0.00 0.01 -0.33 0.00 -0.92 0.00 0.00 57.85 56.61 2r1w n ARG 64 Cb 0.00 -1.08 -0.11 0.00 0.45 0.00 0.00 32.46 31.71 2r1w n ARG 64 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2r1w s PHE 65 N -2.08 2.89 -0.04 -0.14 0.40 -0.75 -1.91 117.98 116.35 2r1w s PHE 65 Ca -0.03 -0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 2r1w s PHE 65 Cb 0.01 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.89 2r1w s PHE 65 CO 0.12 0.33 -0.13 0.99 0.70 0.00 0.00 175.22 177.23 2r1w s THR 66 N -0.88 1.12 -0.14 0.64 2.01 0.26 -4.81 115.64 113.84 2r1w s THR 66 Ca 0.14 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 2r1w s THR 66 Cb -0.11 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 2r1w s THR 66 CO 0.04 0.34 0.03 -0.63 -0.69 0.00 0.00 174.62 173.70 2r1w s ILE 67 N 0.21 4.52 0.24 1.82 1.01 -1.26 -0.01 121.20 127.73 2r1w s ILE 67 Ca -0.05 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.46 2r1w s ILE 67 Cb -0.11 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2r1w s ILE 67 CO 0.02 0.52 0.14 -0.94 0.00 0.00 0.00 174.94 174.68 2r1w s SER 68 N -0.09 0.73 -0.04 3.58 1.04 -0.99 -4.97 113.70 112.95 2r1w s SER 68 Ca 0.05 -1.45 -0.06 0.00 0.48 0.00 0.00 55.95 54.97 2r1w s SER 68 Cb -0.12 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.36 2r1w s SER 68 CO 0.02 -0.85 0.15 0.00 0.98 0.00 0.00 173.24 173.54 2r1w s ARG 69 N -4.01 0.27 -0.51 4.02 1.70 -1.26 -0.97 118.95 118.19 2r1w s ARG 69 Ca 0.38 0.03 -0.15 0.00 -0.47 0.00 0.00 55.73 55.52 2r1w s ARG 69 Cb 0.06 0.12 0.11 0.00 -0.57 0.00 0.00 34.95 34.67 2r1w s ARG 69 CO 0.15 -0.05 0.44 0.34 -1.08 0.00 0.00 175.30 175.10 2r1w s ASP 70 N -0.36 6.13 0.38 -2.89 3.68 0.12 -4.96 116.67 118.76 2r1w s ASP 70 Ca -0.05 -1.62 0.27 0.00 2.13 0.00 0.00 52.55 53.29 2r1w s ASP 70 Cb -0.03 -2.18 0.91 0.00 -1.45 0.00 0.00 42.92 40.17 2r1w s ASP 70 CO 0.01 -0.76 1.78 0.78 0.13 0.00 0.00 175.17 177.11 2r1w h ASN 71 N 8.80 0.00 0.50 -0.34 -0.26 -1.97 0.10 115.58 122.41 2r1w h ASN 71 Ca -0.29 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.31 2r1w h ASN 71 Cb 1.10 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.35 2r1w h ASN 71 CO 0.96 0.00 -0.64 0.28 -1.06 0.00 0.00 177.43 176.97 2r1w h SER 72 N 0.00 0.15 -0.00 5.81 0.02 -1.97 -3.36 113.55 114.21 2r1w h SER 72 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2r1w h SER 72 Cb 0.64 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2r1w h SER 72 CO 0.00 0.75 -0.02 0.00 -1.14 0.00 0.00 176.83 176.42 2r1w n GLN 73 N -3.82 1.43 -3.41 3.45 6.02 -1.13 -5.02 117.38 114.90 2r1w n GLN 73 Ca -0.02 -0.42 -0.19 0.00 -0.01 0.00 0.00 57.00 56.36 2r1w n GLN 73 Cb 0.64 -0.89 0.07 0.00 1.02 0.00 0.00 30.24 31.08 2r1w n GLN 73 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2r1w n SER 74 N -0.25 -4.80 -4.38 1.08 7.64 0.30 -4.75 113.62 108.46 2r1w n SER 74 Ca 0.01 -0.49 -0.33 0.00 1.01 0.00 0.00 58.87 59.07 2r1w n SER 74 Cb 0.03 -4.52 -0.14 0.00 -1.01 0.00 0.00 64.21 58.57 2r1w n SER 74 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2r1w s ILE 75 N -3.29 2.85 -0.08 0.44 1.01 -0.84 -1.62 121.20 119.67 2r1w s ILE 75 Ca 0.37 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 2r1w s ILE 75 Cb -0.16 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 2r1w s ILE 75 CO 0.64 0.56 0.02 -0.22 0.00 0.00 0.00 174.94 175.94 2r1w s LEU 76 N -0.10 3.69 0.09 2.97 2.96 0.46 0.13 118.68 128.88 2r1w s LEU 76 Ca -0.03 0.17 0.09 0.00 -0.22 0.00 0.00 54.13 54.14 2r1w s LEU 76 Cb -0.14 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2r1w s LEU 76 CO 0.04 0.37 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.90 2r1w s TYR 77 N -0.94 1.90 -0.19 5.38 2.02 -0.14 0.56 117.35 125.94 2r1w s TYR 77 Ca 0.15 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 2r1w s TYR 77 Cb -0.11 -1.06 0.05 0.00 -0.40 0.00 0.00 41.96 40.44 2r1w s TYR 77 CO 0.04 0.20 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.03 2r1w s LEU 78 N -1.78 1.74 -0.29 -1.29 2.96 -0.17 -2.35 118.68 117.51 2r1w s LEU 78 Ca 0.08 -0.85 -0.20 0.00 -0.22 0.00 0.00 54.13 52.94 2r1w s LEU 78 Cb -0.10 -0.88 -0.01 0.00 0.50 0.00 0.00 46.19 45.70 2r1w s LEU 78 CO 0.04 -0.24 0.63 -1.58 -1.32 0.00 0.00 176.35 173.89 2r1w s GLN 79 N 1.64 3.97 -0.17 1.98 2.00 0.98 -0.68 119.66 129.38 2r1w s GLN 79 Ca -0.02 0.39 -0.02 0.00 -2.00 0.00 0.00 55.36 53.71 2r1w s GLN 79 Cb -0.17 -3.70 -0.01 0.00 0.80 0.00 0.00 33.01 29.93 2r1w s GLN 79 CO -0.07 -0.52 -0.09 -1.64 -0.50 0.00 0.00 175.29 172.47 2r1w s MET 80 N 2.59 3.41 0.32 1.67 -1.94 0.84 -0.57 119.30 125.62 2r1w s MET 80 Ca 0.26 -0.64 0.10 0.00 -1.71 0.00 0.00 55.69 53.70 2r1w s MET 80 Cb -0.15 -2.82 -0.06 0.00 2.01 0.00 0.00 34.83 33.81 2r1w s MET 80 CO 0.11 0.04 -0.09 -0.80 -0.01 0.00 0.00 175.02 174.27 2r1w s ASN 81 N 0.83 3.84 -1.35 3.03 0.01 -0.80 -0.61 114.94 119.88 2r1w s ASN 81 Ca -0.03 -1.08 -0.05 0.00 -0.71 0.00 0.00 52.86 50.99 2r1w s ASN 81 Cb -0.15 -0.41 0.00 0.00 0.41 0.00 0.00 41.25 41.11 2r1w s ASN 81 CO 0.01 -0.14 0.48 0.41 -1.51 0.00 0.00 177.10 176.35 2r1w n THR 82 N -0.79 -3.49 -2.16 1.60 -1.04 -0.99 -4.82 114.28 102.59 2r1w n THR 82 Ca -0.05 -0.58 -0.38 0.00 -2.04 0.00 0.00 64.05 61.00 2r1w n THR 82 Cb 0.62 -2.90 -0.00 0.00 -1.82 0.00 0.00 70.33 66.23 2r1w n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2r1w s LEU 82 N -6.91 4.04 0.22 -4.42 2.01 -0.74 -4.65 118.68 108.23 2r1w s LEU 82 Ca 0.10 2.43 0.02 0.00 0.01 0.00 0.00 54.13 56.69 2r1w s LEU 82 Cb -0.04 -4.17 -0.05 0.00 0.01 0.00 0.00 46.19 41.94 2r1w s LEU 82 CO 0.89 -0.98 0.05 -0.13 1.01 0.00 0.00 176.35 177.19 2r1w s ARG 83 N -2.61 1.28 0.29 1.70 1.81 -1.26 -0.17 118.95 120.00 2r1w s ARG 83 Ca 0.63 -1.66 0.00 0.00 -1.72 0.00 0.00 55.73 52.98 2r1w s ARG 83 Cb -0.32 -0.31 0.68 0.00 -0.45 0.00 0.00 34.95 34.56 2r1w s ARG 83 CO 0.39 -0.21 1.60 0.00 -0.68 0.00 0.00 175.30 176.41 2r1w h ALA 84 N 2.52 1.12 0.00 2.13 0.00 -1.97 0.53 119.26 123.59 2r1w h ALA 84 Ca -0.38 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2r1w h ALA 84 Cb 1.23 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2r1w h ALA 84 CO 0.62 -0.52 0.00 1.49 0.00 0.00 0.00 179.25 180.84 2r1w h GLU 85 N 0.07 0.00 -0.00 0.00 4.22 -1.96 -1.20 114.58 115.71 2r1w h GLU 85 Ca 0.55 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.99 2r1w h GLU 85 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2r1w h GLU 85 CO -0.81 0.00 -0.06 -0.25 -2.18 0.00 0.00 179.01 175.72 2r1w n ASP 86 N -2.55 0.07 -4.66 1.04 10.43 0.18 -4.81 116.55 116.24 2r1w n ASP 86 Ca -0.01 0.33 -0.42 0.00 2.57 0.00 0.00 54.79 57.26 2r1w n ASP 86 Cb 0.12 -0.39 -0.03 0.00 1.84 0.00 0.00 41.12 42.67 2r1w n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2r1w s SER 87 N -2.94 6.59 -0.14 -2.24 0.01 -0.45 -4.89 113.70 109.63 2r1w s SER 87 Ca 0.15 2.40 -0.34 0.00 1.31 0.00 0.00 55.95 59.47 2r1w s SER 87 Cb 0.19 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 64.02 2r1w s SER 87 CO 0.54 -0.96 1.28 0.00 0.41 0.00 0.00 173.24 174.50 2r1w s ALA 88 N 4.05 -2.18 -0.04 1.44 0.00 -0.46 -4.40 121.76 120.17 2r1w s ALA 88 Ca 0.78 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.76 2r1w s ALA 88 Cb -0.37 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2r1w s ALA 88 CO 0.34 -0.77 0.95 0.99 0.00 0.00 0.00 175.76 177.27 2r1w s THR 89 N -2.34 4.87 -0.20 0.00 2.01 -0.38 -0.93 115.64 118.68 2r1w s THR 89 Ca 0.12 1.98 -0.06 0.00 0.31 0.00 0.00 61.69 64.03 2r1w s THR 89 Cb 0.02 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 2r1w s THR 89 CO -0.04 0.13 0.04 -0.31 -0.69 0.00 0.00 174.62 173.74 2r1w s TYR 90 N 1.26 3.12 -0.05 4.92 1.51 0.25 -0.23 117.35 128.13 2r1w s TYR 90 Ca 0.49 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 2r1w s TYR 90 Cb -0.20 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 2r1w s TYR 90 CO 0.24 -0.11 -0.14 0.71 -1.11 0.00 0.00 175.55 175.14 2r1w s TYR 91 N 0.88 2.71 0.15 2.71 2.02 0.66 -0.84 117.35 125.63 2r1w s TYR 91 Ca 0.02 -0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 56.47 2r1w s TYR 91 Cb -0.14 -1.64 -0.06 0.00 -0.40 0.00 0.00 41.96 39.72 2r1w s TYR 91 CO 0.02 0.16 0.42 0.00 -1.57 0.00 0.00 175.55 174.58 2r1w s ALA 93 N -1.67 0.09 0.15 0.00 0.00 -0.21 -1.49 121.76 118.63 2r1w s ALA 93 Ca 0.42 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 2r1w s ALA 93 Cb -0.12 -0.12 -0.08 0.00 0.00 0.00 0.00 23.12 22.80 2r1w s ALA 93 CO 0.23 -0.03 1.28 0.50 0.00 0.00 0.00 175.76 177.74 2r1w s ARG 94 N 0.42 4.40 0.00 0.00 3.52 -0.34 -0.80 118.95 126.15 2r1w s ARG 94 Ca -0.04 1.96 0.00 0.00 -0.13 0.00 0.00 55.73 57.53 2r1w s ARG 94 Cb -0.05 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 2r1w s ARG 94 CO -0.01 -0.27 0.00 -3.47 -0.81 0.00 0.00 175.30 170.74 2r1w n ASP 95 N 3.21 0.00 -4.76 -2.12 4.64 -0.20 -2.64 116.55 114.68 2r1w n ASP 95 Ca 0.08 0.00 -0.38 0.00 -1.38 0.00 0.00 54.79 53.11 2r1w n ASP 95 Cb 0.44 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.53 2r1w n ASP 95 CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 2r1w s HIS 96 N 3.80 2.59 -0.18 -0.67 5.04 -1.26 -4.53 115.29 120.08 2r1w s HIS 96 Ca 0.00 1.45 0.04 0.00 -1.54 0.00 0.00 55.06 55.01 2r1w s HIS 96 Cb 0.00 -3.60 0.09 0.00 0.04 0.00 0.00 32.58 29.11 2r1w s HIS 96 CO 0.00 -2.21 1.07 -0.40 -2.34 0.00 0.00 174.74 170.86 2r1w n ASP 97 N -0.71 2.24 0.00 9.88 5.75 -1.26 -0.11 116.55 132.34 2r1w n ASP 97 Ca 0.08 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 2r1w n ASP 97 Cb 0.46 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 2r1w n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2r1w n GLY 98 N -0.39 1.16 1.10 6.12 0.00 -1.26 -4.84 105.19 107.08 2r1w n GLY 98 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2r1w n GLY 98 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2r1w n TYR 99 N -2.00 0.00 -4.17 1.61 4.02 -1.26 -5.08 117.16 110.28 2r1w n TYR 99 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 2r1w n TYR 99 Cb 0.00 0.15 -0.08 0.00 -0.02 0.00 0.00 39.34 39.39 2r1w n TYR 99 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2r1w s TYR 100 N -1.93 3.33 -0.69 -0.72 2.02 -1.26 -5.06 117.35 113.04 2r1w s TYR 100 Ca 0.00 0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.87 2r1w s TYR 100 Cb 0.00 -1.86 0.17 0.00 -0.40 0.00 0.00 41.96 39.88 2r1w s TYR 100 CO 0.00 0.56 0.65 -1.21 -1.57 0.00 0.00 175.55 173.99 2r1w s GLU 100 N -0.90 3.31 -0.20 -0.62 0.41 -1.26 -4.18 118.70 115.26 2r1w s GLU 100 Ca 0.14 -2.07 -0.31 0.00 -0.41 0.00 0.00 54.97 52.31 2r1w s GLU 100 Cb -0.12 -4.38 0.15 0.00 -1.78 0.00 0.00 34.13 28.01 2r1w s GLU 100 CO 0.03 -1.33 1.18 -0.98 -0.49 0.00 0.00 175.26 173.68 2r1w s ARG 100 N 0.94 0.33 -0.51 1.61 1.70 -1.26 -5.08 118.95 116.67 2r1w s ARG 100 Ca 0.11 -0.00 -0.14 0.00 -0.47 0.00 0.00 55.73 55.23 2r1w s ARG 100 Cb -0.19 0.15 0.12 0.00 -0.57 0.00 0.00 34.95 34.46 2r1w s ARG 100 CO -0.03 -0.12 0.44 -0.06 -1.08 0.00 0.00 175.30 174.45 2r1w s PHE 100 N -1.60 3.29 0.23 5.89 0.40 -1.26 -4.20 117.98 120.72 2r1w s PHE 100 Ca 0.06 -1.36 0.02 0.00 -0.60 0.00 0.00 56.93 55.05 2r1w s PHE 100 Cb -0.01 -3.61 0.23 0.00 0.51 0.00 0.00 43.02 40.14 2r1w s PHE 100 CO -0.04 -0.97 1.56 0.66 0.70 0.00 0.00 175.22 177.13 2r1w h SER 100 N 8.77 0.42 -4.92 1.36 4.64 -1.80 -3.46 113.55 118.55 2r1w h SER 100 Ca -0.28 -0.22 -0.17 0.00 -0.47 0.00 0.00 61.79 60.66 2r1w h SER 100 Cb 1.10 -0.12 -0.21 0.00 -0.31 0.00 0.00 62.40 62.85 2r1w h SER 100 CO 0.97 0.88 -0.65 -0.31 -0.87 0.00 0.00 176.83 176.85 2r1w s TYR 100 N -3.94 0.20 0.03 4.77 2.02 -1.26 -5.02 117.35 114.14 2r1w s TYR 100 Ca -0.05 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 2r1w s TYR 100 Cb 0.12 -0.15 -0.02 0.00 -0.40 0.00 0.00 41.96 41.51 2r1w s TYR 100 CO 0.81 -0.20 -0.08 -1.58 -1.57 0.00 0.00 175.55 172.93 2r1w s TRP 101 N -1.37 0.69 1.09 2.71 0.52 -1.26 -1.20 118.94 120.12 2r1w s TRP 101 Ca -0.15 -0.35 -0.17 0.00 0.02 0.00 0.00 56.10 55.44 2r1w s TRP 101 Cb -0.09 -0.42 0.24 0.00 -1.15 0.00 0.00 33.47 32.05 2r1w s TRP 101 CO -0.00 -0.04 1.19 0.20 0.02 0.00 0.00 176.95 178.31 2r1w s GLY 102 N -1.07 1.65 0.40 0.98 0.00 -0.56 -4.75 107.32 103.97 2r1w s GLY 102 Ca -0.05 -1.00 0.27 0.00 0.00 0.00 0.00 44.72 43.94 2r1w s GLY 102 CO 0.00 -0.18 1.76 0.06 0.00 0.00 0.00 173.10 174.74 2r1w h GLN 103 N -2.16 0.00 0.00 2.90 -0.00 -1.92 -3.46 115.11 110.47 2r1w h GLN 103 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 2r1w h GLN 103 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 2r1w h GLN 103 CO 0.38 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.62 2r1w n GLY 104 N 0.71 0.39 3.03 0.06 0.00 -1.26 -5.04 105.19 103.08 2r1w n GLY 104 Ca 0.03 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 2r1w n GLY 104 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2r1w s THR 105 N -2.74 1.11 -0.20 2.61 -1.32 -0.02 -4.83 115.64 110.25 2r1w s THR 105 Ca 0.00 -0.49 -0.20 0.00 -1.21 0.00 0.00 61.69 59.80 2r1w s THR 105 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 2r1w s THR 105 CO 0.00 0.34 0.59 -0.22 -2.21 0.00 0.00 174.62 173.12 2r1w s LEU 106 N 0.50 4.15 -0.17 9.08 2.96 -1.26 -0.58 118.68 133.36 2r1w s LEU 106 Ca -0.11 0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 54.53 2r1w s LEU 106 Cb -0.14 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 2r1w s LEU 106 CO 0.03 -0.23 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.14 2r1w s VAL 107 N 1.77 4.22 -0.13 1.68 1.01 -0.10 -1.44 120.40 127.41 2r1w s VAL 107 Ca 0.27 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2r1w s VAL 107 Cb -0.16 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2r1w s VAL 107 CO 0.10 0.48 -0.19 -0.89 0.00 0.00 0.00 175.10 174.60 2r1w s THR 108 N 0.39 1.83 -0.34 3.92 2.01 -0.27 -1.35 115.64 121.82 2r1w s THR 108 Ca -0.01 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.07 2r1w s THR 108 Cb -0.14 -1.64 0.03 0.00 0.01 0.00 0.00 72.50 70.77 2r1w s THR 108 CO 0.02 0.51 0.12 -0.69 -0.69 0.00 0.00 174.62 173.89 2r1w s VAL 109 N 0.91 3.95 0.00 3.82 1.01 -1.26 -0.94 120.40 127.89 2r1w s VAL 109 Ca -0.06 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 60.59 2r1w s VAL 109 Cb -0.15 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.10 2r1w s VAL 109 CO -0.02 -0.17 0.72 -0.55 0.00 0.00 0.00 175.10 175.08 2r1w s SER 110 N 1.44 -0.56 0.00 3.32 0.15 -0.27 -4.59 113.70 113.19 2r1w s SER 110 Ca -0.01 0.39 0.26 0.00 0.70 0.00 0.00 55.95 57.29 2r1w s SER 110 Cb -0.19 0.51 0.69 0.00 -1.71 0.00 0.00 66.02 65.32 2r1w s SER 110 CO 0.04 -0.68 1.54 0.00 1.20 0.00 0.00 173.24 175.34 2r1w n ALA 111 N 0.38 3.25 -1.53 5.45 0.00 -1.26 -3.78 120.51 123.02 2r1w n ALA 111 Ca -0.16 -0.30 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 2r1w n ALA 111 Cb 0.60 -1.20 0.07 0.00 0.00 0.00 0.00 19.45 18.92 2r1w n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r1w s ALA 112 N -2.95 2.32 0.56 0.00 0.00 -1.26 -5.02 121.76 115.42 2r1w s ALA 112 Ca 0.13 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 2r1w s ALA 112 Cb 0.18 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 2r1w s ALA 112 CO 0.65 -1.53 0.94 0.15 0.00 0.00 0.00 175.76 175.96 2r1w s LYS 113 N -3.72 3.63 0.13 0.00 1.02 -1.26 -5.03 119.74 114.51 2r1w s LYS 113 Ca 0.75 0.60 -0.30 0.00 0.02 0.00 0.00 55.97 57.03 2r1w s LYS 113 Cb -0.29 -2.19 -0.07 0.00 -0.52 0.00 0.00 37.83 34.76 2r1w s LYS 113 CO 0.40 -0.40 1.25 0.99 -0.92 0.00 0.00 175.35 176.67 2r1w s THR 114 N -2.95 3.64 -0.11 2.17 2.01 -1.26 -4.69 115.64 114.46 2r1w s THR 114 Ca 0.53 1.25 -0.01 0.00 0.31 0.00 0.00 61.69 63.78 2r1w s THR 114 Cb -0.11 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.63 2r1w s THR 114 CO 0.48 0.14 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.60 2r1w s THR 115 N 0.62 0.87 0.64 -0.82 2.01 0.40 -4.96 115.64 114.41 2r1w s THR 115 Ca 0.58 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 62.24 2r1w s THR 115 Cb -0.33 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 2r1w s THR 115 CO 0.33 0.33 1.06 -2.16 -0.69 0.00 0.00 174.62 173.49 2r1w s PRO 116 N 1.77 3.12 0.56 4.92 0.04 -1.26 -1.07 135.00 143.09 2r1w s PRO 116 Ca 0.05 1.10 -0.17 0.00 0.04 0.00 0.00 61.00 62.02 2r1w s PRO 116 Cb -0.13 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2r1w s PRO 116 CO -0.08 -0.96 1.05 -1.25 0.04 0.00 0.00 177.00 175.81 2r1w s PRO 117 N -4.49 3.45 0.00 0.56 0.04 -1.26 -4.53 135.00 128.77 2r1w s PRO 117 Ca 0.61 1.25 -0.17 0.00 0.04 0.00 0.00 61.00 62.73 2r1w s PRO 117 Cb -0.15 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 2r1w s PRO 117 CO 0.45 -0.71 0.47 -1.12 0.04 0.00 0.00 177.00 176.13 2r1w s SER 118 N -2.57 6.87 -0.19 6.66 0.01 0.16 -4.91 113.70 119.73 2r1w s SER 118 Ca 0.65 1.03 -0.01 0.00 1.31 0.00 0.00 55.95 58.93 2r1w s SER 118 Cb -0.16 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2r1w s SER 118 CO 0.32 0.25 -0.13 -0.69 0.41 0.00 0.00 173.24 173.40 2r1w s VAL 119 N -0.78 2.69 -0.03 3.43 1.01 -1.26 -0.48 120.40 124.98 2r1w s VAL 119 Ca 0.26 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2r1w s VAL 119 Cb -0.17 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2r1w s VAL 119 CO 0.15 0.49 -0.24 -0.31 0.00 0.00 0.00 175.10 175.18 2r1w s TYR 120 N 1.22 2.25 0.46 5.22 2.02 0.42 -4.97 117.35 123.98 2r1w s TYR 120 Ca 0.02 -0.50 -0.21 0.00 -0.37 0.00 0.00 57.07 56.01 2r1w s TYR 120 Cb -0.14 -1.46 -0.09 0.00 -0.40 0.00 0.00 41.96 39.87 2r1w s TYR 120 CO -0.06 -0.09 1.03 -1.25 -1.57 0.00 0.00 175.55 173.61 2r1w s PRO 121 N -0.45 3.91 -0.34 -1.71 0.04 -1.26 -0.32 135.00 134.87 2r1w s PRO 121 Ca 0.06 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.46 2r1w s PRO 121 Cb -0.11 -2.18 0.09 0.00 0.04 0.00 0.00 34.50 32.34 2r1w s PRO 121 CO 0.00 -0.34 0.07 -0.51 0.04 0.00 0.00 177.00 176.26 2r1w s LEU 122 N -3.31 4.57 0.08 -3.56 1.43 0.11 -4.82 118.68 113.18 2r1w s LEU 122 Ca 0.65 -1.84 0.10 0.00 -1.03 0.00 0.00 54.13 52.01 2r1w s LEU 122 Cb -0.16 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2r1w s LEU 122 CO 0.20 -0.38 -0.26 0.00 0.23 0.00 0.00 176.35 176.14 2r1w s ALA 123 N 1.07 2.26 0.48 4.21 0.00 -1.26 -1.51 121.76 127.01 2r1w s ALA 123 Ca 0.04 -1.33 -0.24 0.00 0.00 0.00 0.00 51.96 50.44 2r1w s ALA 123 Cb -0.20 -0.43 -0.07 0.00 0.00 0.00 0.00 23.12 22.42 2r1w s ALA 123 CO -0.05 0.52 1.34 -2.14 0.00 0.00 0.00 175.76 175.43 2r1w s PRO 124 N -1.53 3.56 0.00 0.00 0.02 -1.26 -4.99 135.00 130.80 2r1w s PRO 124 Ca 0.12 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.34 2r1w s PRO 124 Cb -0.10 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 31.93 2r1w s PRO 124 CO 0.03 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.27 2r1w n GLY 125 N 0.63 -2.77 3.72 0.52 0.00 -1.26 -4.58 105.19 101.46 2r1w n GLY 125 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2r1w n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r1w n ALA 127 N -3.00 0.00 -1.23 4.61 0.00 -1.26 -5.05 120.51 114.58 2r1w n ALA 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2r1w n ALA 127 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2r1w n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r1w n ALA 128 N 0.00 0.00 0.00 0.00 0.00 -1.26 -5.33 120.51 113.91 2r1w n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2r1w n ALA 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2r1w n ALA 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2r1w n ASN 131 N 0.00 0.00 -0.29 0.00 4.13 -1.26 -5.17 115.26 112.68 2r1w n ASN 131 Ca 0.00 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.21 2r1w n ASN 131 Cb 0.00 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.31 2r1w n ASN 131 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2r1w h SER 132 N 0.00 0.98 -2.81 6.41 0.87 -2.00 -3.42 113.55 113.59 2r1w h SER 132 Ca 0.00 -0.10 -0.60 0.00 -1.23 0.00 0.00 61.79 59.86 2r1w h SER 132 Cb 0.00 -0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 61.60 2r1w h SER 132 CO 0.00 0.80 -0.66 -0.32 -0.53 0.00 0.00 176.83 176.13 2r1w s MET 133 N -5.83 2.40 -0.01 2.24 -2.45 -1.26 -0.78 119.30 113.61 2r1w s MET 133 Ca -0.13 -1.14 0.04 0.00 -1.25 0.00 0.00 55.69 53.22 2r1w s MET 133 Cb 0.15 -2.34 -0.01 0.00 1.25 0.00 0.00 34.83 33.88 2r1w s MET 133 CO 0.81 0.45 -0.13 0.54 1.05 0.00 0.00 175.02 177.73 2r1w s VAL 134 N -1.79 1.03 -0.17 10.11 0.11 0.95 -4.64 120.40 126.00 2r1w s VAL 134 Ca 0.28 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.73 2r1w s VAL 134 Cb -0.09 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 2r1w s VAL 134 CO 0.19 0.29 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.31 2r1w s THR 135 N -0.31 3.66 0.43 5.04 2.01 -1.26 -1.36 115.64 123.84 2r1w s THR 135 Ca 0.05 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.68 2r1w s THR 135 Cb -0.05 -2.61 -0.06 0.00 0.01 0.00 0.00 72.50 69.79 2r1w s THR 135 CO -0.00 0.47 0.07 -0.76 -0.69 0.00 0.00 174.62 173.71 2r1w s LEU 136 N 0.68 2.89 0.30 4.42 1.43 0.13 -4.64 118.68 123.88 2r1w s LEU 136 Ca -0.03 -1.31 -0.19 0.00 -1.03 0.00 0.00 54.13 51.57 2r1w s LEU 136 Cb -0.15 -1.06 0.05 0.00 0.03 0.00 0.00 46.19 45.07 2r1w s LEU 136 CO 0.02 -0.54 0.83 -0.83 0.23 0.00 0.00 176.35 176.06 2r1w s GLY 137 N -3.81 0.13 0.01 -3.19 0.00 -0.57 -1.03 107.32 98.86 2r1w s GLY 137 Ca 0.34 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.64 2r1w s GLY 137 CO 0.18 0.18 -0.14 0.00 0.00 0.00 0.00 173.10 173.33 2r1w s LEU 139 N -0.61 3.55 -0.44 0.00 2.96 0.56 -1.20 118.68 123.50 2r1w s LEU 139 Ca 0.04 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2r1w s LEU 139 Cb -0.06 -1.93 0.12 0.00 0.50 0.00 0.00 46.19 44.81 2r1w s LEU 139 CO 0.00 0.03 0.23 -0.69 -1.32 0.00 0.00 176.35 174.60 2r1w s VAL 140 N 1.24 3.26 -0.08 1.68 1.01 0.65 -0.43 120.40 127.73 2r1w s VAL 140 Ca 0.05 -2.26 0.03 0.00 0.00 0.00 0.00 61.98 59.80 2r1w s VAL 140 Cb -0.14 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2r1w s VAL 140 CO 0.03 -0.72 -0.17 -0.75 0.00 0.00 0.00 175.10 173.50 2r1w s LYS 141 N 0.89 2.81 -0.41 2.72 2.20 0.37 -0.38 119.74 127.94 2r1w s LYS 141 Ca 0.10 -0.75 -0.00 0.00 -0.36 0.00 0.00 55.97 54.96 2r1w s LYS 141 Cb -0.22 -2.40 -0.00 0.00 -1.51 0.00 0.00 37.83 33.70 2r1w s LYS 141 CO -0.04 0.42 0.34 0.41 -0.36 0.00 0.00 175.35 176.12 2r1w n GLY 142 N 2.89 0.17 3.55 5.54 0.00 0.01 -0.67 105.19 116.67 2r1w n GLY 142 Ca -0.18 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 2r1w n GLY 142 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r1w s TYR 143 N -3.12 2.43 -0.24 1.61 1.13 -0.17 -4.49 117.35 114.49 2r1w s TYR 143 Ca 0.00 -0.38 -0.26 0.00 -1.41 0.00 0.00 57.07 55.03 2r1w s TYR 143 Cb -0.00 -1.22 0.08 0.00 -1.10 0.00 0.00 41.96 39.72 2r1w s TYR 143 CO 0.25 0.62 0.75 0.12 -2.51 0.00 0.00 175.55 174.78 2r1w s PHE 144 N -2.51 -0.74 0.93 -3.49 5.36 -0.23 -0.04 117.98 117.25 2r1w s PHE 144 Ca 0.32 1.74 -0.13 0.00 -0.96 0.00 0.00 56.93 57.90 2r1w s PHE 144 Cb -0.02 0.30 0.20 0.00 -0.34 0.00 0.00 43.02 43.15 2r1w s PHE 144 CO 0.17 -0.39 1.27 -1.25 -1.46 0.00 0.00 175.22 173.56 2r1w s PRO 145 N 0.15 0.72 0.82 10.12 0.04 -1.26 -0.45 135.00 145.13 2r1w s PRO 145 Ca -0.01 -0.63 -0.11 0.00 0.04 0.00 0.00 61.00 60.29 2r1w s PRO 145 Cb -0.04 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.64 2r1w s PRO 145 CO 0.01 -2.30 1.13 -1.21 0.04 0.00 0.00 177.00 174.67 2r1w s GLU 146 N -5.77 1.79 0.54 4.56 0.41 -1.26 -4.79 118.70 114.18 2r1w s GLU 146 Ca 0.74 1.40 0.08 0.00 -0.41 0.00 0.00 54.97 56.78 2r1w s GLU 146 Cb -0.03 -1.83 0.06 0.00 -1.78 0.00 0.00 34.13 30.55 2r1w s GLU 146 CO 0.52 -2.03 0.62 -1.25 -0.49 0.00 0.00 175.26 172.63 2r1w s PRO 147 N -4.63 2.35 0.19 0.39 0.04 -1.26 -4.93 135.00 127.14 2r1w s PRO 147 Ca 0.65 -1.72 0.08 0.00 0.04 0.00 0.00 61.00 60.06 2r1w s PRO 147 Cb -0.21 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 2r1w s PRO 147 CO 0.54 -0.69 -0.17 0.14 0.04 0.00 0.00 177.00 176.87 2r1w s VAL 148 N -2.66 1.84 0.01 -0.36 -7.23 -1.26 -4.21 120.40 106.52 2r1w s VAL 148 Ca 0.52 -2.09 0.07 0.00 -1.81 0.00 0.00 61.98 58.67 2r1w s VAL 148 Cb -0.05 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2r1w s VAL 148 CO 0.32 -0.45 -0.20 0.42 -0.31 0.00 0.00 175.10 174.88 2r1w s THR 149 N -2.49 2.59 -0.07 5.32 -4.23 -0.28 -4.98 115.64 111.50 2r1w s THR 149 Ca 0.20 -1.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 2r1w s THR 149 Cb -0.03 -2.02 0.02 0.00 1.34 0.00 0.00 72.50 71.81 2r1w s THR 149 CO 0.07 0.46 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.84 2r1w s VAL 150 N -0.79 0.91 0.30 2.29 1.01 -1.26 -1.26 120.40 121.61 2r1w s VAL 150 Ca 0.12 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2r1w s VAL 150 Cb -0.10 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 35.33 2r1w s VAL 150 CO 0.02 0.32 0.01 0.42 0.00 0.00 0.00 175.10 175.87 2r1w s THR 151 N 1.07 1.33 -0.08 3.92 -4.23 -0.24 -4.96 115.64 112.44 2r1w s THR 151 Ca -0.08 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.42 2r1w s THR 151 Cb -0.14 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.08 2r1w s THR 151 CO -0.01 -0.14 -0.16 0.26 -0.54 0.00 0.00 174.62 174.03 2r1w s TRP 152 N -3.21 1.82 -1.37 3.99 0.52 -1.26 0.18 118.94 119.62 2r1w s TRP 152 Ca 0.33 -0.73 -0.02 0.00 0.02 0.00 0.00 56.10 55.70 2r1w s TRP 152 Cb 0.07 -1.29 -0.00 0.00 -1.15 0.00 0.00 33.47 31.10 2r1w s TRP 152 CO 0.13 -0.35 0.49 0.09 0.02 0.00 0.00 176.95 177.34 2r1w n ASN 153 N 3.81 -0.81 -3.13 2.95 4.13 -0.29 -1.43 115.26 120.50 2r1w n ASN 153 Ca -0.21 -0.98 -0.21 0.00 1.68 0.00 0.00 54.58 54.86 2r1w n ASN 153 Cb 0.52 -3.24 0.00 0.00 -1.54 0.00 0.00 39.78 35.52 2r1w n ASN 153 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2r1w n SER 154 N -2.97 -4.30 0.00 6.41 7.64 -1.26 -1.18 113.62 117.95 2r1w n SER 154 Ca -0.29 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.32 2r1w n SER 154 Cb 0.68 -3.55 0.00 0.00 -1.01 0.00 0.00 64.21 60.33 2r1w n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2r1w n GLY 155 N -1.19 1.01 0.17 0.23 0.00 -0.51 -4.94 105.19 99.96 2r1w n GLY 155 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.00 2r1w n GLY 155 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2r1w h SER 156 N 0.00 0.00 -3.40 1.61 4.64 -1.05 -3.38 113.55 111.97 2r1w h SER 156 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 2r1w h SER 156 Cb 0.00 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 61.90 2r1w h SER 156 CO 0.00 0.45 -0.17 -0.76 -0.87 0.00 0.00 176.83 175.48 2r1w s LEU 157 N -7.21 5.07 0.00 5.97 1.43 -1.00 -4.85 118.68 118.10 2r1w s LEU 157 Ca -0.00 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 2r1w s LEU 157 Cb 0.11 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.98 2r1w s LEU 157 CO 0.71 -0.68 0.00 -1.54 0.23 0.00 0.00 176.35 175.07 2r1w n SER 158 N 5.66 2.70 -4.77 2.29 3.41 -1.26 -4.15 113.62 117.51 2r1w n SER 158 Ca -0.08 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.13 2r1w n SER 158 Cb 0.46 0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.45 2r1w n SER 158 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2r1w s SER 159 N -3.52 6.09 -0.93 4.04 0.15 -1.26 -3.14 113.70 115.14 2r1w s SER 159 Ca 0.00 2.72 0.00 0.00 0.70 0.00 0.00 55.95 59.37 2r1w s SER 159 Cb 0.00 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2r1w s SER 159 CO 0.00 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.04 2r1w n GLY 160 N 0.63 1.01 3.70 9.45 0.00 -1.26 -4.77 105.19 113.96 2r1w n GLY 160 Ca 0.05 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 2r1w n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r1w s VAL 161 N -2.18 4.86 -0.10 1.61 1.01 -1.19 -1.59 120.40 122.82 2r1w s VAL 161 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2r1w s VAL 161 Cb 0.00 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.26 2r1w s VAL 161 CO 0.00 0.53 -0.11 -1.00 0.00 0.00 0.00 175.10 174.52 2r1w s HIS 162 N -0.25 1.66 -0.20 5.22 3.76 -0.17 -5.01 115.29 120.30 2r1w s HIS 162 Ca 0.08 -0.78 -0.03 0.00 -0.15 0.00 0.00 55.06 54.18 2r1w s HIS 162 Cb -0.12 -1.27 -0.01 0.00 1.11 0.00 0.00 32.58 32.29 2r1w s HIS 162 CO 0.01 -0.46 -0.05 0.99 -0.85 0.00 0.00 174.74 174.38 2r1w s THR 163 N 1.23 3.39 -0.15 1.30 2.01 -1.26 -0.17 115.64 121.99 2r1w s THR 163 Ca -0.03 -0.50 -0.24 0.00 0.31 0.00 0.00 61.69 61.24 2r1w s THR 163 Cb -0.14 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 2r1w s THR 163 CO -0.04 0.44 0.75 -0.36 -0.69 0.00 0.00 174.62 174.72 2r1w s PHE 164 N 1.22 3.46 0.37 4.92 0.08 0.87 -5.00 117.98 123.90 2r1w s PHE 164 Ca 0.03 1.18 -0.26 0.00 0.12 0.00 0.00 56.93 58.00 2r1w s PHE 164 Cb -0.14 -2.90 -0.12 0.00 -0.57 0.00 0.00 43.02 39.28 2r1w s PHE 164 CO -0.01 -0.13 0.96 -2.30 -0.10 0.00 0.00 175.22 173.63 2r1w n PRO 165 N 4.76 1.27 -1.94 0.24 -0.02 -1.26 -3.76 135.00 134.29 2r1w n PRO 165 Ca 0.01 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.55 2r1w n PRO 165 Cb 0.50 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2r1w n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r1w s ALA 166 N -1.21 3.32 -0.09 3.55 0.00 -1.26 -4.83 121.76 121.24 2r1w s ALA 166 Ca 0.61 1.36 0.05 0.00 0.00 0.00 0.00 51.96 53.98 2r1w s ALA 166 Cb -0.62 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 18.96 2r1w s ALA 166 CO 0.58 -0.96 -0.24 0.08 0.00 0.00 0.00 175.76 175.22 2r1w s VAL 167 N -1.21 2.08 -0.12 0.00 1.01 -0.58 -4.94 120.40 116.64 2r1w s VAL 167 Ca 0.57 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 2r1w s VAL 167 Cb -0.41 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 2r1w s VAL 167 CO 0.54 0.56 0.65 -0.22 0.00 0.00 0.00 175.10 176.63 2r1w s LEU 168 N 0.16 4.25 -0.07 3.92 2.96 -1.26 -1.77 118.68 126.88 2r1w s LEU 168 Ca -0.13 1.02 -0.04 0.00 -0.22 0.00 0.00 54.13 54.76 2r1w s LEU 168 Cb -0.16 -2.98 0.03 0.00 0.50 0.00 0.00 46.19 43.58 2r1w s LEU 168 CO 0.07 -0.17 0.15 -1.10 -1.32 0.00 0.00 176.35 173.99 2r1w s GLN 169 N 1.20 0.12 -0.45 1.98 -0.21 -0.50 -4.90 119.66 116.90 2r1w s GLN 169 Ca 0.33 0.34 -0.13 0.00 0.02 0.00 0.00 55.36 55.92 2r1w s GLN 169 Cb -0.17 -0.10 0.02 0.00 1.00 0.00 0.00 33.01 33.76 2r1w s GLN 169 CO 0.14 -0.12 0.25 -1.13 -2.12 0.00 0.00 175.29 172.30 2r1w n SER 170 N 3.87 -1.49 0.00 5.90 3.41 -1.26 -1.72 113.62 122.34 2r1w n SER 170 Ca -0.22 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 2r1w n SER 170 Cb 0.54 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2r1w n SER 170 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2r1w n ASP 171 N -0.21 -3.66 -4.09 4.04 10.43 -1.26 -5.00 116.55 116.80 2r1w n ASP 171 Ca -0.04 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.17 2r1w n ASP 171 Cb 0.21 -1.52 -0.12 0.00 1.84 0.00 0.00 41.12 41.53 2r1w n ASP 171 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2r1w s LEU 172 N 0.00 2.24 0.17 0.64 1.43 -0.70 -4.86 118.68 117.59 2r1w s LEU 172 Ca 0.00 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 2r1w s LEU 172 Cb 0.00 -0.29 -0.05 0.00 0.03 0.00 0.00 46.19 45.88 2r1w s LEU 172 CO 0.00 -0.14 0.40 -0.31 0.23 0.00 0.00 176.35 176.53 2r1w s TYR 173 N -1.22 3.47 -0.01 0.29 2.02 0.94 -1.41 117.35 121.43 2r1w s TYR 173 Ca -0.06 0.53 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 2r1w s TYR 173 Cb -0.09 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.49 2r1w s TYR 173 CO 0.01 0.40 -0.01 0.99 -1.57 0.00 0.00 175.55 175.37 2r1w s THR 174 N -1.74 0.13 0.17 -0.71 2.01 -0.73 -0.81 115.64 113.96 2r1w s THR 174 Ca 0.41 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.43 2r1w s THR 174 Cb -0.12 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 2r1w s THR 174 CO 0.26 0.08 0.03 -1.48 -0.69 0.00 0.00 174.62 172.82 2r1w s LEU 175 N 0.43 1.95 0.07 4.42 0.05 0.49 -1.53 118.68 124.56 2r1w s LEU 175 Ca -0.04 -1.20 -0.00 0.00 0.05 0.00 0.00 54.13 52.93 2r1w s LEU 175 Cb -0.06 0.08 -0.04 0.00 -2.05 0.00 0.00 46.19 44.11 2r1w s LEU 175 CO -0.01 -0.64 -0.03 -0.94 -0.55 0.00 0.00 176.35 174.19 2r1w s SER 176 N -3.14 0.59 -0.01 1.48 1.04 -1.25 -0.25 113.70 112.16 2r1w s SER 176 Ca 0.25 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2r1w s SER 176 Cb 0.07 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.39 2r1w s SER 176 CO 0.04 -0.59 -0.00 -0.55 0.98 0.00 0.00 173.24 173.11 2r1w s SER 177 N -2.96 0.21 0.08 7.02 0.15 -0.34 -0.09 113.70 117.76 2r1w s SER 177 Ca 0.10 -0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.81 2r1w s SER 177 Cb 0.07 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 2r1w s SER 177 CO -0.07 -0.03 -0.14 -0.94 1.20 0.00 0.00 173.24 173.25 2r1w s SER 178 N 0.39 4.14 -0.02 5.45 1.04 0.75 -1.13 113.70 124.33 2r1w s SER 178 Ca -0.03 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.00 2r1w s SER 178 Cb -0.06 -0.73 0.01 0.00 0.10 0.00 0.00 66.02 65.34 2r1w s SER 178 CO -0.01 0.21 -0.03 0.54 0.98 0.00 0.00 173.24 174.93 2r1w s VAL 179 N -1.09 0.33 -0.14 5.02 0.11 -0.20 -1.00 120.40 123.42 2r1w s VAL 179 Ca 0.18 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 2r1w s VAL 179 Cb -0.11 -0.33 -0.00 0.00 -1.53 0.00 0.00 36.38 34.40 2r1w s VAL 179 CO 0.10 0.14 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.94 2r1w s THR 180 N 0.44 2.56 0.12 5.04 2.01 -0.62 -0.69 115.64 124.49 2r1w s THR 180 Ca -0.05 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.16 2r1w s THR 180 Cb -0.08 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 2r1w s THR 180 CO -0.01 0.53 -0.06 0.68 -0.69 0.00 0.00 174.62 175.07 2r1w s VAL 181 N 0.62 0.77 0.28 3.82 -7.23 -0.46 -4.77 120.40 113.42 2r1w s VAL 181 Ca -0.09 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 57.81 2r1w s VAL 181 Cb -0.16 -1.77 -0.11 0.00 0.56 0.00 0.00 36.38 34.90 2r1w s VAL 181 CO 0.03 -0.80 1.56 -2.84 -0.31 0.00 0.00 175.10 172.74 2r1w s PRO 182 N -3.83 4.16 0.59 4.82 0.02 -1.26 -0.03 135.00 139.47 2r1w s PRO 182 Ca 0.14 2.51 0.38 0.00 0.02 0.00 0.00 61.00 64.05 2r1w s PRO 182 Cb 0.05 -3.05 1.81 0.00 0.02 0.00 0.00 34.50 33.33 2r1w s PRO 182 CO -0.03 -0.59 2.14 0.66 -0.33 0.00 0.00 177.00 178.85 2r1w h SER 183 N 5.04 0.00 0.65 2.53 4.64 -1.20 -0.13 113.55 125.07 2r1w h SER 183 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2r1w h SER 183 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2r1w h SER 183 CO 0.80 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.22 2r1w n SER 184 N -3.06 0.39 -0.01 4.97 3.41 -1.26 -3.35 113.62 114.71 2r1w n SER 184 Ca -0.01 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.28 2r1w n SER 184 Cb 0.20 -0.68 -0.13 0.00 -0.26 0.00 0.00 64.21 63.35 2r1w n SER 184 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2r1w n THR 185 N -1.93 0.00 -4.42 6.66 -2.24 -0.07 -4.69 114.28 107.59 2r1w n THR 185 Ca 0.03 -0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.27 2r1w n THR 185 Cb 0.21 0.29 -0.15 0.00 -2.10 0.00 0.00 70.33 68.57 2r1w n THR 185 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2r1w s TRP 186 N -3.08 0.98 -1.74 4.78 -0.00 -1.21 -0.13 118.94 118.55 2r1w s TRP 186 Ca -0.04 -0.24 0.06 0.00 -0.00 0.00 0.00 56.10 55.89 2r1w s TRP 186 Cb 0.11 -0.69 0.20 0.00 -0.00 0.00 0.00 33.47 33.10 2r1w s TRP 186 CO 0.71 -0.09 1.10 -0.35 -0.00 0.00 0.00 176.95 178.32 2r1w n PRO 187 N 3.19 1.64 -0.05 5.86 -0.04 -1.26 -4.71 135.00 139.63 2r1w n PRO 187 Ca -0.17 -0.81 -0.02 0.00 -0.04 0.00 0.00 63.50 62.46 2r1w n PRO 187 Cb 0.55 -1.29 0.23 0.00 -0.04 0.00 0.00 33.50 32.95 2r1w n PRO 187 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2r1w h SER 188 N 1.25 0.61 -2.91 3.54 4.64 -1.83 -3.40 113.55 115.44 2r1w h SER 188 Ca 0.00 -0.13 -0.60 0.00 -0.47 0.00 0.00 61.79 60.59 2r1w h SER 188 Cb 0.43 -0.16 -0.08 0.00 -0.31 0.00 0.00 62.40 62.28 2r1w h SER 188 CO 0.03 0.69 -0.59 -1.61 -0.87 0.00 0.00 176.83 174.48 2r1w s GLU 189 N -4.95 2.85 0.21 4.77 0.41 0.82 -5.09 118.70 117.71 2r1w s GLU 189 Ca -0.08 -0.82 -0.30 0.00 -0.41 0.00 0.00 54.97 53.36 2r1w s GLU 189 Cb 0.15 -2.65 -0.08 0.00 -1.78 0.00 0.00 34.13 29.77 2r1w s GLU 189 CO 0.79 0.51 1.06 -0.08 -0.49 0.00 0.00 175.26 177.05 2r1w s THR 190 N -1.61 3.85 -0.12 3.63 -1.32 -1.26 -4.52 115.64 114.30 2r1w s THR 190 Ca 0.30 1.70 0.02 0.00 -1.21 0.00 0.00 61.69 62.50 2r1w s THR 190 Cb -0.11 -4.08 0.01 0.00 -1.51 0.00 0.00 72.50 66.81 2r1w s THR 190 CO 0.22 0.34 -0.18 -0.69 -2.21 0.00 0.00 174.62 172.10 2r1w s VAL 191 N -0.60 1.73 -0.03 5.08 1.01 -1.26 -4.98 120.40 121.35 2r1w s VAL 191 Ca 0.47 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2r1w s VAL 191 Cb -0.29 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.55 2r1w s VAL 191 CO 0.36 0.49 -0.07 -0.89 0.00 0.00 0.00 175.10 174.98 2r1w s THR 192 N 0.86 0.66 -0.05 3.92 2.01 -1.26 -0.44 115.64 121.32 2r1w s THR 192 Ca -0.08 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.53 2r1w s THR 192 Cb -0.15 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 2r1w s THR 192 CO -0.01 0.22 0.33 0.00 -0.69 0.00 0.00 174.62 174.48 2r1w s ASN 194 N -0.83 4.48 -0.08 0.00 0.01 0.13 -1.16 114.94 117.49 2r1w s ASN 194 Ca 0.21 -0.45 0.05 0.00 -0.71 0.00 0.00 52.86 51.95 2r1w s ASN 194 Cb -0.15 -1.77 -0.00 0.00 0.41 0.00 0.00 41.25 39.74 2r1w s ASN 194 CO 0.10 -0.05 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.72 2r1w s VAL 195 N 1.48 1.96 -0.02 1.60 1.01 0.53 -1.08 120.40 125.87 2r1w s VAL 195 Ca 0.05 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.10 2r1w s VAL 195 Cb -0.15 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2r1w s VAL 195 CO -0.02 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.45 2r1w s ALA 196 N 0.17 1.45 -0.41 5.51 0.00 -0.39 -0.73 121.76 127.36 2r1w s ALA 196 Ca -0.12 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2r1w s ALA 196 Cb -0.16 -0.41 0.12 0.00 0.00 0.00 0.00 23.12 22.67 2r1w s ALA 196 CO 0.06 0.32 0.18 -1.58 0.00 0.00 0.00 175.76 174.74 2r1w s HIS 197 N -0.24 2.50 0.34 0.00 2.46 -0.69 -1.12 115.29 118.55 2r1w s HIS 197 Ca 0.03 -2.54 0.05 0.00 0.47 0.00 0.00 55.06 53.07 2r1w s HIS 197 Cb -0.08 -2.24 0.70 0.00 -0.13 0.00 0.00 32.58 30.83 2r1w s HIS 197 CO 0.00 -0.83 1.93 -1.35 -2.47 0.00 0.00 174.74 172.03 2r1w h PRO 198 N 7.13 0.79 -0.30 2.88 0.10 -1.82 -1.41 132.00 139.37 2r1w h PRO 198 Ca -0.06 -0.05 0.00 0.00 0.10 0.00 0.00 66.00 66.00 2r1w h PRO 198 Cb 0.96 -0.18 -0.01 0.00 0.10 0.00 0.00 31.00 31.86 2r1w h PRO 198 CO 0.53 0.53 0.20 0.00 0.10 0.00 0.00 178.00 179.36 2r1w h ALA 199 N 1.58 1.79 -0.50 -0.75 0.00 -1.91 -0.83 119.26 118.64 2r1w h ALA 199 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2r1w h ALA 199 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2r1w h ALA 199 CO -0.13 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 2r1w n SER 200 N -4.49 3.37 -2.59 0.00 3.41 -0.91 -4.96 113.62 107.45 2r1w n SER 200 Ca 0.01 -1.98 -0.14 0.00 -0.26 0.00 0.00 58.87 56.50 2r1w n SER 200 Cb 0.07 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2r1w n SER 200 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2r1w n SER 201 N 1.05 -3.85 -4.74 4.04 7.64 -0.32 -4.92 113.62 112.54 2r1w n SER 201 Ca 0.17 0.11 -0.41 0.00 1.01 0.00 0.00 58.87 59.75 2r1w n SER 201 Cb 0.52 -3.26 -0.04 0.00 -1.01 0.00 0.00 64.21 60.42 2r1w n SER 201 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2r1w s THR 202 N -2.66 3.99 -0.07 0.44 2.01 -0.74 -4.92 115.64 113.70 2r1w s THR 202 Ca 0.07 1.71 0.00 0.00 0.31 0.00 0.00 61.69 63.78 2r1w s THR 202 Cb -0.03 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.41 2r1w s THR 202 CO 0.08 0.29 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.72 2r1w s LYS 203 N -0.30 0.98 -0.03 4.92 1.02 -1.26 -1.70 119.74 123.37 2r1w s LYS 203 Ca 0.49 -0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.39 2r1w s LYS 203 Cb -0.28 -1.08 0.01 0.00 -0.52 0.00 0.00 37.83 35.96 2r1w s LYS 203 CO 0.34 -0.17 -0.07 0.08 -0.92 0.00 0.00 175.35 174.61 2r1w s VAL 204 N 1.36 0.63 -0.14 3.17 1.01 0.10 -5.00 120.40 121.53 2r1w s VAL 204 Ca -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2r1w s VAL 204 Cb -0.13 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2r1w s VAL 204 CO -0.03 0.22 -0.10 -1.81 0.00 0.00 0.00 175.10 173.39 2r1w s ASP 205 N 0.52 4.25 -0.25 3.32 1.01 -1.26 -0.35 116.67 123.91 2r1w s ASP 205 Ca -0.08 -0.28 0.01 0.00 0.71 0.00 0.00 52.55 52.92 2r1w s ASP 205 Cb -0.11 -1.67 0.06 0.00 1.01 0.00 0.00 42.92 42.22 2r1w s ASP 205 CO 0.01 0.16 -0.05 -0.75 0.21 0.00 0.00 175.17 174.74 2r1w s LYS 206 N 0.41 1.71 0.24 8.23 2.47 -0.31 -4.98 119.74 127.52 2r1w s LYS 206 Ca -0.08 -1.14 -0.30 0.00 -1.56 0.00 0.00 55.97 52.90 2r1w s LYS 206 Cb -0.15 -2.67 -0.09 0.00 -1.46 0.00 0.00 37.83 33.45 2r1w s LYS 206 CO 0.04 -0.63 1.16 0.21 0.16 0.00 0.00 175.35 176.29 2r1w s LYS 207 N 1.30 4.55 -0.48 4.03 2.20 -1.26 -1.37 119.74 128.71 2r1w s LYS 207 Ca -0.05 1.87 -0.21 0.00 -0.36 0.00 0.00 55.97 57.23 2r1w s LYS 207 Cb -0.19 -3.20 0.04 0.00 -1.51 0.00 0.00 37.83 32.97 2r1w s LYS 207 CO -0.07 0.04 0.70 0.42 -0.36 0.00 0.00 175.35 176.09 2r1w s ILE 208 N -0.67 4.75 -0.15 5.43 -1.09 0.41 -4.92 121.20 124.96 2r1w s ILE 208 Ca 0.48 -0.01 -0.07 0.00 -2.23 0.00 0.00 60.65 58.82 2r1w s ILE 208 Cb -0.33 -4.30 -0.04 0.00 -1.58 0.00 0.00 42.46 36.21 2r1w s ILE 208 CO 0.40 -0.76 0.10 0.54 -1.23 0.00 0.00 174.94 174.00 2r1w s VAL 209 N 3.00 5.18 0.33 2.92 0.11 -1.26 -4.62 120.40 126.06 2r1w s VAL 209 Ca 0.22 0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 59.08 2r1w s VAL 209 Cb -0.15 -3.29 -0.10 0.00 -1.53 0.00 0.00 36.38 31.30 2r1w s VAL 209 CO 0.17 0.54 1.34 -2.16 -3.33 0.00 0.00 175.10 171.66 2r1w s PRO 210 N -0.34 4.31 0.00 1.54 0.04 -1.26 -4.87 135.00 134.41 2r1w s PRO 210 Ca 0.10 2.28 0.30 0.00 0.04 0.00 0.00 61.00 63.73 2r1w s PRO 210 Cb -0.12 -3.06 1.81 0.00 0.04 0.00 0.00 34.50 33.18 2r1w s PRO 210 CO 0.01 -0.26 2.14 0.54 0.04 0.00 0.00 177.00 179.47