#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpr s SER 2 N 0.00 7.30 0.22 1.61 0.01 -1.26 -3.51 113.70 118.07 3kpr s SER 2 Ca 0.00 1.74 0.09 0.00 1.31 0.00 0.00 55.95 59.09 3kpr s SER 2 Cb 0.00 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 3kpr s SER 2 CO 0.00 -0.32 -0.16 -1.00 0.41 0.00 0.00 173.24 172.18 3kpr s HIS 3 N 1.05 1.83 0.02 2.43 4.02 -0.45 -4.98 115.29 119.21 3kpr s HIS 3 Ca 0.54 -0.52 -0.03 0.00 1.02 0.00 0.00 55.06 56.07 3kpr s HIS 3 Cb -0.23 -0.84 -0.02 0.00 -1.02 0.00 0.00 32.58 30.48 3kpr s HIS 3 CO 0.28 0.43 0.03 -1.54 1.02 0.00 0.00 174.74 174.97 3kpr s SER 4 N -3.35 0.20 -0.06 1.40 1.04 -1.26 -0.01 113.70 111.67 3kpr s SER 4 Ca 0.24 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.21 3kpr s SER 4 Cb -0.02 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.27 3kpr s SER 4 CO 0.08 -0.38 -0.15 -0.32 0.98 0.00 0.00 173.24 173.45 3kpr s MET 5 N -1.88 1.84 0.02 4.02 0.00 -0.53 0.09 119.30 122.86 3kpr s MET 5 Ca -0.12 -0.52 0.03 0.00 0.00 0.00 0.00 55.69 55.09 3kpr s MET 5 Cb -0.06 -1.52 -0.02 0.00 0.00 0.00 0.00 34.83 33.23 3kpr s MET 5 CO -0.02 0.11 -0.09 1.03 0.00 0.00 0.00 175.02 176.05 3kpr s ARG 6 N 0.42 0.67 -0.09 4.11 1.81 -0.01 -1.81 118.95 124.05 3kpr s ARG 6 Ca -0.11 -0.56 0.03 0.00 -1.72 0.00 0.00 55.73 53.37 3kpr s ARG 6 Cb -0.14 -0.60 -0.01 0.00 -0.45 0.00 0.00 34.95 33.74 3kpr s ARG 6 CO 0.04 0.15 -0.18 0.71 -0.68 0.00 0.00 175.30 175.33 3kpr s TYR 7 N -0.73 2.65 -0.29 -0.53 2.02 -0.55 -0.38 117.35 119.54 3kpr s TYR 7 Ca -0.01 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 3kpr s TYR 7 Cb -0.06 -1.71 0.06 0.00 -0.40 0.00 0.00 41.96 39.85 3kpr s TYR 7 CO 0.00 -0.14 -0.03 -0.06 -1.57 0.00 0.00 175.55 173.75 3kpr s PHE 8 N -0.06 3.30 -0.07 2.71 0.40 0.05 -2.46 117.98 121.85 3kpr s PHE 8 Ca -0.04 -2.11 -0.18 0.00 -0.60 0.00 0.00 56.93 53.99 3kpr s PHE 8 Cb -0.14 -2.11 -0.05 0.00 0.51 0.00 0.00 43.02 41.23 3kpr s PHE 8 CO 0.04 -0.84 0.49 0.71 0.70 0.00 0.00 175.22 176.31 3kpr s TYR 9 N 1.18 3.59 -0.10 0.36 1.51 0.80 -2.00 117.35 122.68 3kpr s TYR 9 Ca -0.06 0.97 0.01 0.00 -1.01 0.00 0.00 57.07 56.98 3kpr s TYR 9 Cb -0.20 -2.51 0.02 0.00 -0.11 0.00 0.00 41.96 39.16 3kpr s TYR 9 CO -0.03 0.30 -0.12 0.99 -1.11 0.00 0.00 175.55 175.58 3kpr s THR 10 N 0.13 1.24 -0.08 -0.71 2.01 -0.01 -1.99 115.64 116.23 3kpr s THR 10 Ca 0.26 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.81 3kpr s THR 10 Cb -0.16 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.19 3kpr s THR 10 CO 0.12 0.39 -0.13 0.00 -0.69 0.00 0.00 174.62 174.32 3kpr s ALA 11 N 1.19 1.40 -0.03 7.40 0.00 0.27 -0.63 121.76 131.36 3kpr s ALA 11 Ca -0.04 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.41 3kpr s ALA 11 Cb -0.14 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.32 3kpr s ALA 11 CO -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 175.76 175.69 3kpr s MET 12 N 0.87 0.68 0.32 0.00 0.23 -0.08 -0.35 119.30 120.96 3kpr s MET 12 Ca -0.10 -0.10 -0.17 0.00 -1.03 0.00 0.00 55.69 54.28 3kpr s MET 12 Cb -0.15 -0.70 -0.09 0.00 -1.53 0.00 0.00 34.83 32.35 3kpr s MET 12 CO 0.01 -0.04 0.77 -1.54 -2.03 0.00 0.00 175.02 172.19 3kpr s SER 13 N 0.70 6.87 -0.29 -1.18 1.04 -0.71 -0.46 113.70 119.67 3kpr s SER 13 Ca -0.09 1.38 -0.00 0.00 0.48 0.00 0.00 55.95 57.72 3kpr s SER 13 Cb -0.12 -2.41 0.14 0.00 0.10 0.00 0.00 66.02 63.73 3kpr s SER 13 CO -0.00 -0.18 0.30 0.00 0.98 0.00 0.00 173.24 174.34 3kpr s ARG 14 N -2.80 0.33 0.61 4.02 1.70 -1.26 -3.70 118.95 117.84 3kpr s ARG 14 Ca 0.53 -0.10 0.33 0.00 -0.47 0.00 0.00 55.73 56.02 3kpr s ARG 14 Cb -0.11 -0.64 1.98 0.00 -0.57 0.00 0.00 34.95 35.60 3kpr s ARG 14 CO 0.18 -1.02 2.28 -1.35 -1.08 0.00 0.00 175.30 174.31 3kpr h PRO 15 N 8.25 0.00 0.22 3.89 0.11 -1.84 0.10 132.00 142.73 3kpr h PRO 15 Ca -0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 3kpr h PRO 15 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kpr h PRO 15 CO 0.33 0.00 -0.10 0.78 -0.21 0.00 0.00 178.00 178.79 3kpr h GLY 16 N 0.00 -0.30 0.99 -0.55 0.00 -1.95 -3.29 103.07 97.97 3kpr h GLY 16 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.32 3kpr h GLY 16 CO -0.00 -0.11 -0.27 3.21 0.00 0.00 0.00 176.54 179.37 3kpr h ARG 17 N -0.76 0.75 0.00 4.80 3.08 -1.97 -3.47 114.38 116.81 3kpr h ARG 17 Ca -0.03 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3kpr h ARG 17 Cb 0.50 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3kpr h ARG 17 CO 0.05 1.00 0.00 0.41 -1.07 0.00 0.00 179.97 180.36 3kpr n GLY 18 N 0.11 0.75 2.94 0.04 0.00 0.34 -5.05 105.19 104.31 3kpr n GLY 18 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 3kpr n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kpr s GLU 19 N -0.51 0.56 0.89 1.61 -1.05 -1.25 -5.01 118.70 113.94 3kpr s GLU 19 Ca 0.00 -0.16 -0.12 0.00 -0.15 0.00 0.00 54.97 54.54 3kpr s GLU 19 Cb 0.00 -0.56 0.13 0.00 -0.44 0.00 0.00 34.13 33.25 3kpr s GLU 19 CO 0.00 0.05 1.11 -2.14 0.95 0.00 0.00 175.26 175.23 3kpr s PRO 20 N 0.24 1.29 -0.00 -4.83 0.02 -1.26 -4.35 135.00 126.10 3kpr s PRO 20 Ca -0.03 0.53 0.06 0.00 0.02 0.00 0.00 61.00 61.58 3kpr s PRO 20 Cb -0.07 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 3kpr s PRO 20 CO -0.00 -2.14 -0.19 0.50 -0.33 0.00 0.00 177.00 174.83 3kpr s ARG 21 N -5.12 1.49 -0.07 5.54 3.52 0.40 -4.92 118.95 119.79 3kpr s ARG 21 Ca 0.63 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 55.52 3kpr s ARG 21 Cb -0.16 -1.47 0.02 0.00 -1.56 0.00 0.00 34.95 31.78 3kpr s ARG 21 CO 0.55 0.40 -0.07 0.12 -0.81 0.00 0.00 175.30 175.49 3kpr s PHE 22 N -0.51 1.09 -0.02 5.12 5.36 -1.26 -0.91 117.98 126.85 3kpr s PHE 22 Ca 0.07 -0.40 0.04 0.00 -0.96 0.00 0.00 56.93 55.68 3kpr s PHE 22 Cb -0.08 -0.90 -0.01 0.00 -0.34 0.00 0.00 43.02 41.70 3kpr s PHE 22 CO -0.00 -0.29 -0.14 0.42 -1.46 0.00 0.00 175.22 173.75 3kpr s ILE 23 N 1.08 1.10 -0.03 3.12 1.01 0.20 -1.32 121.20 126.36 3kpr s ILE 23 Ca -0.08 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.04 3kpr s ILE 23 Cb -0.14 -0.94 -0.00 0.00 0.01 0.00 0.00 42.46 41.38 3kpr s ILE 23 CO -0.01 0.32 -0.13 -0.89 0.00 0.00 0.00 174.94 174.23 3kpr s THR 24 N -0.12 1.10 0.01 2.92 2.01 -0.62 -0.83 115.64 120.11 3kpr s THR 24 Ca 0.01 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 61.51 3kpr s THR 24 Cb -0.08 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 3kpr s THR 24 CO 0.00 0.32 -0.15 0.68 -0.69 0.00 0.00 174.62 174.79 3kpr s VAL 25 N -0.02 1.16 -0.10 3.82 -7.23 -0.85 -1.23 120.40 115.96 3kpr s VAL 25 Ca -0.01 -0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 59.35 3kpr s VAL 25 Cb -0.09 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.82 3kpr s VAL 25 CO 0.01 0.19 -0.07 -0.83 -0.31 0.00 0.00 175.10 174.09 3kpr s GLY 26 N -0.71 1.69 -0.07 2.32 0.00 -0.40 -0.77 107.32 109.38 3kpr s GLY 26 Ca 0.04 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.93 3kpr s GLY 26 CO 0.00 -0.42 -0.18 -0.19 0.00 0.00 0.00 173.10 172.31 3kpr s TYR 27 N -0.31 1.91 -0.26 1.90 1.51 0.49 -1.90 117.35 120.69 3kpr s TYR 27 Ca 0.04 -0.70 -0.07 0.00 -1.01 0.00 0.00 57.07 55.33 3kpr s TYR 27 Cb -0.13 -1.32 -0.01 0.00 -0.11 0.00 0.00 41.96 40.39 3kpr s TYR 27 CO 0.02 -0.30 0.06 0.08 -1.11 0.00 0.00 175.55 174.30 3kpr s VAL 28 N 0.39 4.04 0.00 0.71 1.01 -0.17 -0.83 120.40 125.56 3kpr s VAL 28 Ca -0.13 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3kpr s VAL 28 Cb -0.16 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3kpr s VAL 28 CO 0.05 0.25 0.00 0.47 0.00 0.00 0.00 175.10 175.87 3kpr n ASP 29 N 4.89 0.00 -1.27 3.32 8.00 0.11 -0.07 116.55 131.53 3kpr n ASP 29 Ca -0.16 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.28 3kpr n ASP 29 Cb 0.50 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.80 3kpr n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kpr n ASP 30 N 7.30 2.63 -4.13 -2.24 8.00 -1.26 -4.94 116.55 121.91 3kpr n ASP 30 Ca 0.00 -3.75 -0.33 0.00 0.71 0.00 0.00 54.79 51.42 3kpr n ASP 30 Cb 0.00 -0.66 -0.16 0.00 -0.02 0.00 0.00 41.12 40.29 3kpr n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kpr s THR 31 N -3.25 2.20 0.13 -3.53 2.01 0.90 -5.00 115.64 109.09 3kpr s THR 31 Ca 0.46 -1.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.12 3kpr s THR 31 Cb 0.41 -2.00 -0.09 0.00 0.01 0.00 0.00 72.50 70.84 3kpr s THR 31 CO 0.01 0.42 1.47 -0.22 -0.69 0.00 0.00 174.62 175.62 3kpr s LEU 32 N 1.27 4.37 0.00 4.42 2.96 -1.26 -1.00 118.68 129.44 3kpr s LEU 32 Ca 0.03 2.44 0.00 0.00 -0.22 0.00 0.00 54.13 56.38 3kpr s LEU 32 Cb -0.14 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.96 3kpr s LEU 32 CO -0.11 -0.74 0.00 2.22 -1.32 0.00 0.00 176.35 176.41 3kpr n PHE 33 N 4.11 0.00 -3.91 5.38 -1.74 -0.80 -3.72 117.46 116.78 3kpr n PHE 33 Ca 0.13 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.91 3kpr n PHE 33 Cb 0.41 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.31 3kpr n PHE 33 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3kpr s VAL 34 N -1.52 0.10 0.08 1.97 0.11 -1.25 0.39 120.40 120.28 3kpr s VAL 34 Ca 0.00 -0.81 -0.10 0.00 -2.93 0.00 0.00 61.98 58.13 3kpr s VAL 34 Cb 0.00 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 3kpr s VAL 34 CO 0.00 -0.45 0.24 0.00 -3.33 0.00 0.00 175.10 171.56 3kpr s ARG 35 N -1.57 0.86 -0.19 1.54 1.04 -0.57 -1.28 118.95 118.78 3kpr s ARG 35 Ca -0.14 -0.83 -0.17 0.00 -1.04 0.00 0.00 55.73 53.55 3kpr s ARG 35 Cb -0.07 0.36 0.05 0.00 -2.04 0.00 0.00 34.95 33.24 3kpr s ARG 35 CO 0.00 -0.28 0.50 0.12 -0.04 0.00 0.00 175.30 175.60 3kpr s PHE 36 N -3.56 -0.58 -0.17 5.89 2.19 -0.36 -0.93 117.98 120.46 3kpr s PHE 36 Ca 0.02 1.37 -0.04 0.00 0.33 0.00 0.00 56.93 58.62 3kpr s PHE 36 Cb 0.03 0.21 0.08 0.00 -1.31 0.00 0.00 43.02 42.03 3kpr s PHE 36 CO -0.10 -0.28 0.17 0.34 1.83 0.00 0.00 175.22 177.19 3kpr s ASP 37 N 0.42 1.51 0.00 6.13 -1.08 -1.26 -1.59 116.67 120.80 3kpr s ASP 37 Ca -0.01 -0.22 0.09 0.00 -0.52 0.00 0.00 52.55 51.89 3kpr s ASP 37 Cb -0.04 0.19 0.43 0.00 -1.46 0.00 0.00 42.92 42.04 3kpr s ASP 37 CO -0.01 -0.32 1.21 -1.54 0.52 0.00 0.00 175.17 175.03 3kpr n SER 38 N 5.31 0.00 0.11 -0.34 3.41 -0.44 -1.89 113.62 119.79 3kpr n SER 38 Ca -0.06 0.27 -0.23 0.00 -0.26 0.00 0.00 58.87 58.60 3kpr n SER 38 Cb 0.49 -0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 3kpr n SER 38 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kpr h ASP 39 N 0.00 0.85 -2.08 4.04 5.19 -1.91 -3.46 116.42 119.05 3kpr h ASP 39 Ca 0.00 -0.83 -0.64 0.00 -0.62 0.00 0.00 57.03 54.94 3kpr h ASP 39 Cb 0.11 -0.27 0.09 0.00 0.18 0.00 0.00 39.33 39.43 3kpr h ASP 39 CO 0.00 1.64 0.25 0.00 -3.12 0.00 0.00 179.24 178.01 3kpr n ALA 40 N -2.69 -0.57 0.07 3.45 0.00 -0.79 -4.88 120.51 115.10 3kpr n ALA 40 Ca -0.15 0.44 -0.06 0.00 0.00 0.00 0.00 53.44 53.68 3kpr n ALA 40 Cb 1.03 -2.04 0.10 0.00 0.00 0.00 0.00 19.45 18.55 3kpr n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kpr h THR 41 N 2.54 1.38 -3.03 0.00 1.03 -1.88 -3.24 112.91 109.71 3kpr h THR 41 Ca -0.42 -1.99 -0.75 0.00 -0.01 0.00 0.00 66.41 63.23 3kpr h THR 41 Cb 1.34 2.00 -0.32 0.00 -1.07 0.00 0.00 68.15 70.10 3kpr h THR 41 CO 0.68 0.59 0.32 -1.20 -0.01 0.00 0.00 175.52 175.91 3kpr n SER 42 N -3.87 5.37 -4.60 0.00 7.64 -1.26 -5.04 113.62 111.86 3kpr n SER 42 Ca -0.03 -3.28 -0.43 0.00 1.01 0.00 0.00 58.87 56.14 3kpr n SER 42 Cb 0.63 -1.16 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 3kpr n SER 42 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3kpr s PRO 43 N -2.14 3.73 0.16 1.43 0.04 -1.23 -4.98 135.00 132.02 3kpr s PRO 43 Ca 0.32 0.51 -0.09 0.00 0.04 0.00 0.00 61.00 61.77 3kpr s PRO 43 Cb 0.01 -3.87 -0.01 0.00 0.04 0.00 0.00 34.50 30.67 3kpr s PRO 43 CO 0.00 -1.19 0.29 -0.98 0.04 0.00 0.00 177.00 175.15 3kpr s ARG 44 N 3.96 1.14 0.08 4.56 1.70 -1.26 -4.97 118.95 124.15 3kpr s ARG 44 Ca 0.42 -1.14 -0.31 0.00 -0.47 0.00 0.00 55.73 54.24 3kpr s ARG 44 Cb -0.10 0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 34.59 3kpr s ARG 44 CO 0.26 -0.42 1.56 0.15 -1.08 0.00 0.00 175.30 175.77 3kpr s LYS 45 N -3.95 4.23 -0.04 3.89 -0.14 -1.26 -4.66 119.74 117.81 3kpr s LYS 45 Ca 0.16 2.24 0.06 0.00 -1.36 0.00 0.00 55.97 57.07 3kpr s LYS 45 Cb 0.03 -3.48 -0.02 0.00 -1.68 0.00 0.00 37.83 32.69 3kpr s LYS 45 CO -0.01 -0.65 -0.23 -1.21 -0.76 0.00 0.00 175.35 172.49 3kpr s GLU 46 N 2.16 2.37 0.40 1.68 2.02 -0.10 -4.94 118.70 122.29 3kpr s GLU 46 Ca 0.70 -0.86 -0.26 0.00 0.02 0.00 0.00 54.97 54.56 3kpr s GLU 46 Cb -0.39 -2.17 -0.09 0.00 0.10 0.00 0.00 34.13 31.58 3kpr s GLU 46 CO 0.31 0.51 1.32 -1.25 0.02 0.00 0.00 175.26 176.16 3kpr s PRO 47 N -0.47 4.01 0.00 0.39 0.04 -1.26 -1.51 135.00 136.20 3kpr s PRO 47 Ca 0.05 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.29 3kpr s PRO 47 Cb -0.11 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.62 3kpr s PRO 47 CO 0.01 -0.47 0.35 0.54 0.04 0.00 0.00 177.00 177.47 3kpr n ARG 48 N 0.22 -0.07 -4.07 4.56 5.12 0.16 -4.89 116.66 117.70 3kpr n ARG 48 Ca 0.03 -0.40 -0.13 0.00 -1.93 0.00 0.00 57.85 55.42 3kpr n ARG 48 Cb 0.43 -0.74 -0.12 0.00 -1.16 0.00 0.00 32.46 30.88 3kpr n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kpr s ALA 49 N -0.10 0.55 0.28 7.54 0.00 -1.22 -4.59 121.76 124.22 3kpr s ALA 49 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 3kpr s ALA 49 Cb 0.00 0.03 0.37 0.00 0.00 0.00 0.00 23.12 23.52 3kpr s ALA 49 CO 0.00 -0.01 1.94 -1.00 0.00 0.00 0.00 175.76 176.69 3kpr h PRO 50 N 4.62 1.16 0.00 0.00 0.13 -1.94 -3.15 132.00 132.82 3kpr h PRO 50 Ca -0.35 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 3kpr h PRO 50 Cb 1.20 -0.26 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 3kpr h PRO 50 CO 0.41 0.78 -0.15 0.11 -0.23 0.00 0.00 178.00 178.93 3kpr h TRP 51 N 1.19 0.00 0.00 1.56 5.08 -1.98 -3.09 115.95 118.72 3kpr h TRP 51 Ca 0.32 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.29 3kpr h TRP 51 Cb -0.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.05 3kpr h TRP 51 CO 0.00 0.15 0.00 0.97 -1.28 0.00 0.00 178.44 178.28 3kpr h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.90 -2.94 117.51 118.88 3kpr h ILE 52 Ca -0.00 -0.59 0.00 0.00 -1.37 0.00 0.00 64.86 62.89 3kpr h ILE 52 Cb 0.77 1.55 0.00 0.00 0.47 0.00 0.00 36.82 39.60 3kpr h ILE 52 CO 0.02 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.48 3kpr n GLU 53 N -2.82 0.05 0.24 2.19 1.02 -1.17 -2.20 120.64 117.95 3kpr n GLU 53 Ca 0.03 0.31 0.11 0.00 -0.02 0.00 0.00 57.16 57.59 3kpr n GLU 53 Cb 0.37 -1.60 0.58 0.00 -0.02 0.00 0.00 31.44 30.78 3kpr n GLU 53 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3kpr h GLN 54 N 0.00 0.00 -6.91 3.49 4.15 -1.73 -3.44 115.11 110.67 3kpr h GLN 54 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.90 3kpr h GLN 54 Cb 0.26 0.00 0.07 0.00 0.21 0.00 0.00 27.48 28.02 3kpr h GLN 54 CO 0.00 0.18 0.59 -1.21 -1.93 0.00 0.00 178.83 176.46 3kpr s GLU 55 N -3.88 4.17 0.95 1.69 0.41 -0.94 -5.03 118.70 116.08 3kpr s GLU 55 Ca -0.01 2.09 -0.16 0.00 -0.41 0.00 0.00 54.97 56.49 3kpr s GLU 55 Cb 0.11 -2.89 0.19 0.00 -1.78 0.00 0.00 34.13 29.77 3kpr s GLU 55 CO 0.61 -0.30 1.31 0.20 -0.49 0.00 0.00 175.26 176.60 3kpr s GLY 56 N -0.73 1.77 0.42 -1.39 0.00 -1.26 -4.90 107.32 101.23 3kpr s GLY 56 Ca 0.53 -1.16 0.13 0.00 0.00 0.00 0.00 44.72 44.22 3kpr s GLY 56 CO 0.48 -0.41 1.96 -2.55 0.00 0.00 0.00 173.10 172.58 3kpr h PRO 57 N -1.61 0.44 -0.48 2.90 0.11 -1.97 -2.43 132.00 128.95 3kpr h PRO 57 Ca -0.45 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3kpr h PRO 57 Cb 1.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3kpr h PRO 57 CO 0.40 0.29 0.15 1.49 -0.21 0.00 0.00 178.00 180.12 3kpr h GLU 58 N 0.45 0.75 -0.27 1.05 4.81 -1.99 -0.88 114.58 118.51 3kpr h GLU 58 Ca 0.30 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3kpr h GLU 58 Cb 0.58 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 3kpr h GLU 58 CO -0.09 0.70 0.01 -0.92 -0.73 0.00 0.00 179.01 177.98 3kpr h TYR 59 N 0.65 -0.00 -0.29 0.92 3.20 -1.80 -0.48 116.97 119.16 3kpr h TYR 59 Ca 0.16 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 3kpr h TYR 59 Cb 0.26 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3kpr h TYR 59 CO 0.01 -0.04 -0.36 -1.49 -1.64 0.00 0.00 178.16 174.65 3kpr h TRP 60 N 0.09 0.78 -0.37 -3.82 4.06 -1.42 -0.16 115.95 115.11 3kpr h TRP 60 Ca 0.13 -0.21 -0.03 0.00 2.06 0.00 0.00 58.89 60.83 3kpr h TRP 60 Cb 0.16 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 3kpr h TRP 60 CO -0.20 0.92 0.11 -0.44 -3.56 0.00 0.00 178.44 175.28 3kpr h ASP 61 N 0.55 0.55 -0.39 -3.49 5.19 -1.01 -1.95 116.42 115.87 3kpr h ASP 61 Ca 0.06 -0.21 -0.16 0.00 -0.62 0.00 0.00 57.03 56.10 3kpr h ASP 61 Cb 0.87 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 3kpr h ASP 61 CO 0.08 0.61 -0.37 -0.09 -3.12 0.00 0.00 179.24 176.35 3kpr h ARG 62 N 0.46 0.94 -0.67 3.56 2.43 -0.90 -1.64 114.38 118.56 3kpr h ARG 62 Ca 0.12 -0.49 -0.06 0.00 -0.81 0.00 0.00 59.98 58.75 3kpr h ARG 62 Cb 0.26 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3kpr h ARG 62 CO -0.00 1.15 0.20 0.93 -1.51 0.00 0.00 179.97 180.73 3kpr h GLU 63 N 0.76 1.04 -0.24 0.20 4.39 -1.06 -2.24 114.58 117.43 3kpr h GLU 63 Ca 0.06 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 3kpr h GLU 63 Cb 0.96 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 3kpr h GLU 63 CO 0.09 0.92 0.12 1.15 -1.16 0.00 0.00 179.01 180.13 3kpr h THR 64 N 0.98 1.14 -0.63 1.13 2.02 -1.25 -2.35 112.91 113.94 3kpr h THR 64 Ca 0.21 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 3kpr h THR 64 Cb 0.32 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3kpr h THR 64 CO -0.00 0.14 0.27 -0.61 0.37 0.00 0.00 175.52 175.68 3kpr h GLN 65 N 0.26 0.91 -0.45 6.66 5.75 -1.19 0.25 115.11 127.30 3kpr h GLN 65 Ca 0.08 -0.14 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 3kpr h GLN 65 Cb 0.11 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3kpr h GLN 65 CO -0.01 0.73 0.13 0.82 -2.65 0.00 0.00 178.83 177.86 3kpr h ILE 66 N 0.90 1.22 -0.37 2.39 2.04 -1.31 0.12 117.51 122.50 3kpr h ILE 66 Ca 0.22 -0.75 -0.11 0.00 1.00 0.00 0.00 64.86 65.21 3kpr h ILE 66 Cb 0.15 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3kpr h ILE 66 CO -0.02 0.27 -0.21 0.28 0.00 0.00 0.00 178.15 178.47 3kpr h SER 67 N 0.59 0.72 -0.46 1.72 0.02 -0.86 0.79 113.55 116.07 3kpr h SER 67 Ca 0.14 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.75 3kpr h SER 67 Cb 0.28 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3kpr h SER 67 CO -0.00 0.92 -0.08 0.11 -1.14 0.00 0.00 176.83 176.64 3kpr h LYS 68 N 0.63 0.87 -0.61 3.45 1.57 -0.32 -2.38 116.57 119.77 3kpr h LYS 68 Ca 0.09 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 3kpr h LYS 68 Cb 0.70 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 3kpr h LYS 68 CO 0.05 0.95 0.10 1.15 -0.57 0.00 0.00 179.45 181.13 3kpr h THR 69 N 0.71 1.25 -0.99 -0.16 2.02 -0.61 -2.85 112.91 112.28 3kpr h THR 69 Ca 0.12 -0.98 0.09 0.00 0.77 0.00 0.00 66.41 66.41 3kpr h THR 69 Cb 0.61 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.62 3kpr h THR 69 CO 0.04 0.36 0.64 0.78 0.37 0.00 0.00 175.52 177.71 3kpr h ASN 70 N 0.93 0.98 -0.54 4.18 -0.26 -0.62 0.17 115.58 120.42 3kpr h ASN 70 Ca 0.19 0.02 0.09 0.00 -0.56 0.00 0.00 56.30 56.04 3kpr h ASN 70 Cb 0.40 -0.18 -0.07 0.00 -1.06 0.00 0.00 38.32 37.42 3kpr h ASN 70 CO 0.01 0.58 0.15 0.74 -1.06 0.00 0.00 177.43 177.86 3kpr h THR 71 N 1.08 0.75 -0.47 2.81 2.02 -1.18 0.42 112.91 118.33 3kpr h THR 71 Ca 0.46 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.46 3kpr h THR 71 Cb 0.31 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3kpr h THR 71 CO -0.21 0.06 0.02 -0.61 0.37 0.00 0.00 175.52 175.15 3kpr h GLN 72 N 0.31 0.82 -0.08 6.66 4.15 -1.28 -2.54 115.11 123.15 3kpr h GLN 72 Ca 0.27 -0.25 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 3kpr h GLN 72 Cb 0.35 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 3kpr h GLN 72 CO -0.31 0.86 0.04 1.15 -1.93 0.00 0.00 178.83 178.64 3kpr h THR 73 N 0.68 1.11 0.00 2.39 2.02 0.35 -2.83 112.91 116.63 3kpr h THR 73 Ca 0.14 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3kpr h THR 73 Cb 0.48 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3kpr h THR 73 CO 0.02 0.10 0.00 -1.22 0.37 0.00 0.00 175.52 174.79 3kpr n TYR 74 N -4.97 0.78 -0.12 3.16 4.01 0.14 -2.10 117.16 118.06 3kpr n TYR 74 Ca -0.06 0.24 -0.12 0.00 -0.16 0.00 0.00 57.90 57.80 3kpr n TYR 74 Cb 0.09 -0.89 -0.03 0.00 -0.31 0.00 0.00 39.34 38.21 3kpr n TYR 74 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kpr h ARG 75 N 0.00 0.77 -0.64 -0.72 2.43 -1.29 -2.19 114.38 112.75 3kpr h ARG 75 Ca 0.00 -0.35 -0.08 0.00 -0.81 0.00 0.00 59.98 58.74 3kpr h ARG 75 Cb 0.66 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 3kpr h ARG 75 CO 0.00 0.97 0.10 1.49 -1.51 0.00 0.00 179.97 181.02 3kpr h GLU 76 N 0.55 1.06 -0.63 0.20 4.81 -1.23 -2.84 114.58 116.50 3kpr h GLU 76 Ca 0.07 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3kpr h GLU 76 Cb 0.76 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 3kpr h GLU 76 CO 0.06 0.98 0.38 -0.91 -0.73 0.00 0.00 179.01 178.79 3kpr h ASN 77 N 0.97 0.61 -0.48 1.04 -0.26 -1.37 -0.29 115.58 115.80 3kpr h ASN 77 Ca 0.19 0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.88 3kpr h ASN 77 Cb 0.44 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.56 3kpr h ASN 77 CO 0.01 0.42 0.07 -0.07 -1.06 0.00 0.00 177.43 176.80 3kpr h LEU 78 N 0.74 0.77 -0.25 1.61 3.38 -1.34 0.09 115.31 120.29 3kpr h LEU 78 Ca 0.26 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kpr h LEU 78 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3kpr h LEU 78 CO -0.12 0.84 0.04 0.03 0.09 0.00 0.00 178.44 179.32 3kpr h ARG 79 N 0.66 0.42 -0.66 1.13 2.47 -1.39 -1.82 114.38 115.20 3kpr h ARG 79 Ca 0.14 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3kpr h ARG 79 Cb 0.41 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 3kpr h ARG 79 CO 0.01 0.55 0.43 1.15 0.56 0.00 0.00 179.97 182.68 3kpr h THR 80 N 0.23 1.18 -0.58 2.04 2.02 -0.93 -2.02 112.91 114.86 3kpr h THR 80 Ca 0.08 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 3kpr h THR 80 Cb 0.34 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3kpr h THR 80 CO 0.01 0.17 0.20 0.00 0.37 0.00 0.00 175.52 176.27 3kpr h ALA 81 N 1.24 1.27 -0.20 6.16 0.00 -0.95 -0.20 119.26 126.57 3kpr h ALA 81 Ca 0.24 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kpr h ALA 81 Cb -0.09 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 3kpr h ALA 81 CO -0.05 0.53 -0.14 -0.07 0.00 0.00 0.00 179.25 179.52 3kpr h LEU 82 N 0.83 -0.45 -0.24 0.00 3.38 -0.61 -1.01 115.31 117.21 3kpr h LEU 82 Ca 0.19 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 3kpr h LEU 82 Cb 0.21 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3kpr h LEU 82 CO -0.01 -0.18 -0.02 0.03 0.09 0.00 0.00 178.44 178.35 3kpr h ARG 83 N -0.13 0.44 -1.00 1.13 3.08 -1.15 -0.10 114.38 116.65 3kpr h ARG 83 Ca 0.12 -0.15 0.16 0.00 0.07 0.00 0.00 59.98 60.17 3kpr h ARG 83 Cb 0.31 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.23 3kpr h ARG 83 CO -0.29 0.64 0.62 1.88 -1.07 0.00 0.00 179.97 181.75 3kpr h TYR 84 N 0.21 1.08 -0.13 3.04 -1.99 -0.88 -2.37 116.97 115.92 3kpr h TYR 84 Ca 0.07 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.83 3kpr h TYR 84 Cb 0.45 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.84 3kpr h TYR 84 CO 0.04 0.34 0.00 0.66 -0.00 0.00 0.00 178.16 179.20 3kpr n TYR 85 N -4.68 0.14 -3.71 4.88 4.01 -0.40 -4.88 117.16 112.53 3kpr n TYR 85 Ca 0.21 -0.08 -0.22 0.00 -0.16 0.00 0.00 57.90 57.65 3kpr n TYR 85 Cb 0.47 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.53 3kpr n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3kpr n ASN 86 N 1.26 -1.39 -4.75 7.72 5.15 -0.16 -5.00 115.26 118.09 3kpr n ASN 86 Ca 0.14 -0.85 -0.28 0.00 -0.60 0.00 0.00 54.58 52.99 3kpr n ASN 86 Cb 0.55 -3.95 -0.07 0.00 -0.53 0.00 0.00 39.78 35.78 3kpr n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3kpr s GLN 87 N -6.00 2.75 0.61 1.20 -0.21 -0.57 -5.04 119.66 112.40 3kpr s GLN 87 Ca 0.04 -0.84 -0.09 0.00 0.02 0.00 0.00 55.36 54.48 3kpr s GLN 87 Cb -0.01 -2.61 -0.02 0.00 1.00 0.00 0.00 33.01 31.37 3kpr s GLN 87 CO 0.82 0.52 0.98 -1.54 -2.12 0.00 0.00 175.29 173.94 3kpr s SER 88 N -2.70 5.98 0.00 5.90 1.04 -1.26 -4.72 113.70 117.94 3kpr s SER 88 Ca 0.29 1.16 0.13 0.00 0.48 0.00 0.00 55.95 58.02 3kpr s SER 88 Cb -0.11 -2.20 0.80 0.00 0.10 0.00 0.00 66.02 64.61 3kpr s SER 88 CO 0.21 -0.94 1.41 -0.62 0.98 0.00 0.00 173.24 174.28 3kpr n GLU 89 N -2.69 0.85 0.01 4.02 1.02 -1.26 -3.14 120.64 119.46 3kpr n GLU 89 Ca 0.05 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.31 3kpr n GLU 89 Cb 0.55 -1.25 0.25 0.00 -0.02 0.00 0.00 31.44 30.98 3kpr n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kpr n ALA 90 N -0.75 3.38 -2.91 0.62 0.00 -1.26 -4.71 120.51 114.88 3kpr n ALA 90 Ca 0.10 -0.32 -0.28 0.00 0.00 0.00 0.00 53.44 52.94 3kpr n ALA 90 Cb 0.05 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 3kpr n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kpr s GLY 91 N -3.12 1.89 -0.09 0.00 0.00 -1.19 -4.78 107.32 100.03 3kpr s GLY 91 Ca 0.10 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 43.70 3kpr s GLY 91 CO 0.70 -0.98 0.34 -0.56 0.00 0.00 0.00 173.10 172.61 3kpr s SER 92 N -2.92 6.60 0.07 1.64 0.01 -1.26 -4.64 113.70 113.20 3kpr s SER 92 Ca 0.34 0.71 0.01 0.00 1.31 0.00 0.00 55.95 58.32 3kpr s SER 92 Cb -0.12 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 3kpr s SER 92 CO 0.27 0.20 -0.05 -1.00 0.41 0.00 0.00 173.24 173.07 3kpr s HIS 93 N -0.22 0.67 -0.05 2.43 3.76 -1.24 -5.00 115.29 115.63 3kpr s HIS 93 Ca 0.20 -0.85 0.02 0.00 -0.15 0.00 0.00 55.06 54.29 3kpr s HIS 93 Cb -0.14 -0.42 0.01 0.00 1.11 0.00 0.00 32.58 33.13 3kpr s HIS 93 CO 0.08 -0.21 -0.11 0.42 -0.85 0.00 0.00 174.74 174.07 3kpr s ILE 94 N -3.10 1.03 -0.10 0.60 1.01 -1.26 -1.74 121.20 117.64 3kpr s ILE 94 Ca 0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 3kpr s ILE 94 Cb 0.02 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 3kpr s ILE 94 CO -0.05 0.32 -0.08 -0.63 0.00 0.00 0.00 174.94 174.50 3kpr s ILE 95 N 0.52 3.54 0.07 2.92 1.01 0.53 -0.10 121.20 129.69 3kpr s ILE 95 Ca -0.11 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.11 3kpr s ILE 95 Cb -0.14 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 3kpr s ILE 95 CO 0.02 0.55 -0.22 -1.10 0.00 0.00 0.00 174.94 174.19 3kpr s GLN 96 N -0.24 1.37 -0.07 2.79 -0.21 -0.43 -0.57 119.66 122.31 3kpr s GLN 96 Ca 0.03 -1.08 -0.03 0.00 0.02 0.00 0.00 55.36 54.29 3kpr s GLN 96 Cb -0.13 -1.59 0.04 0.00 1.00 0.00 0.00 33.01 32.33 3kpr s GLN 96 CO 0.03 0.39 0.15 0.50 -2.12 0.00 0.00 175.29 174.24 3kpr s ARG 97 N -1.52 0.09 -0.17 2.91 3.52 -0.84 -0.53 118.95 122.42 3kpr s ARG 97 Ca 0.09 0.40 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 3kpr s ARG 97 Cb -0.09 -0.18 0.03 0.00 -1.56 0.00 0.00 34.95 33.14 3kpr s ARG 97 CO 0.03 -0.18 -0.15 0.00 -0.81 0.00 0.00 175.30 174.19 3kpr s MET 98 N 1.27 2.46 0.04 5.12 0.23 -0.96 -0.14 119.30 127.32 3kpr s MET 98 Ca -0.08 -0.69 0.06 0.00 -1.03 0.00 0.00 55.69 53.94 3kpr s MET 98 Cb -0.12 -2.30 -0.02 0.00 -1.53 0.00 0.00 34.83 30.86 3kpr s MET 98 CO -0.06 -0.26 -0.16 1.52 -2.03 0.00 0.00 175.02 174.02 3kpr s TYR 99 N 1.41 1.41 -2.88 3.16 1.13 -1.03 -2.07 117.35 118.48 3kpr s TYR 99 Ca 0.04 -0.36 0.00 0.00 -1.41 0.00 0.00 57.07 55.34 3kpr s TYR 99 Cb -0.13 -0.83 0.00 0.00 -1.10 0.00 0.00 41.96 39.89 3kpr s TYR 99 CO -0.11 0.06 0.00 0.41 -2.51 0.00 0.00 175.55 173.40 3kpr n GLY 100 N 1.85 -1.30 2.96 5.49 0.00 -0.52 -1.48 105.19 112.19 3kpr n GLY 100 Ca -0.18 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 3kpr n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpr s ASP 102 N -1.07 5.40 0.06 0.00 1.01 -0.78 -1.45 116.67 119.85 3kpr s ASP 102 Ca -0.12 0.13 0.09 0.00 0.71 0.00 0.00 52.55 53.37 3kpr s ASP 102 Cb -0.07 -1.69 -0.03 0.00 1.01 0.00 0.00 42.92 42.14 3kpr s ASP 102 CO -0.01 0.31 -0.24 0.68 0.21 0.00 0.00 175.17 176.12 3kpr s VAL 103 N -0.47 1.96 0.83 -1.27 -7.23 0.99 -0.93 120.40 114.28 3kpr s VAL 103 Ca 0.09 -1.41 -0.10 0.00 -1.81 0.00 0.00 61.98 58.76 3kpr s VAL 103 Cb -0.12 -1.71 0.14 0.00 0.56 0.00 0.00 36.38 35.25 3kpr s VAL 103 CO 0.02 0.22 1.15 -0.83 -0.31 0.00 0.00 175.10 175.36 3kpr s GLY 104 N -1.43 1.74 0.66 2.32 0.00 -0.36 -1.35 107.32 108.90 3kpr s GLY 104 Ca 0.10 -1.22 0.35 0.00 0.00 0.00 0.00 44.72 43.95 3kpr s GLY 104 CO 0.03 -0.61 2.08 -2.55 0.00 0.00 0.00 173.10 172.05 3kpr h PRO 105 N -1.06 0.00 0.05 2.90 0.11 -1.91 -1.75 132.00 130.33 3kpr h PRO 105 Ca -0.43 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.35 3kpr h PRO 105 Cb 1.27 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 3kpr h PRO 105 CO 0.46 0.00 -1.94 -0.40 -0.21 0.00 0.00 178.00 175.92 3kpr n ASP 106 N -3.02 1.32 0.00 -2.05 5.68 -1.26 -4.85 116.55 112.37 3kpr n ASP 106 Ca -0.02 0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 3kpr n ASP 106 Cb 0.28 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 3kpr n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kpr n GLY 107 N 1.78 1.68 3.77 6.12 0.00 -0.66 -5.12 105.19 112.76 3kpr n GLY 107 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3kpr n GLY 107 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kpr s ARG 108 N -0.04 4.50 -0.44 1.61 3.52 -1.26 -4.76 118.95 122.08 3kpr s ARG 108 Ca 0.00 1.59 -0.29 0.00 -0.13 0.00 0.00 55.73 56.90 3kpr s ARG 108 Cb 0.00 -2.92 0.01 0.00 -1.56 0.00 0.00 34.95 30.48 3kpr s ARG 108 CO 0.00 0.14 1.45 -1.17 -0.81 0.00 0.00 175.30 174.92 3kpr s LEU 109 N -1.91 3.54 -0.02 -0.88 2.96 -1.26 -1.22 118.68 119.88 3kpr s LEU 109 Ca 0.49 0.75 -0.22 0.00 -0.22 0.00 0.00 54.13 54.94 3kpr s LEU 109 Cb -0.26 -3.43 -0.14 0.00 0.50 0.00 0.00 46.19 42.86 3kpr s LEU 109 CO 0.32 -1.53 0.97 -0.07 -1.32 0.00 0.00 176.35 174.73 3kpr h LEU 110 N 12.58 -0.42 -7.00 -0.68 4.07 -1.38 -3.48 115.31 118.99 3kpr h LEU 110 Ca -0.28 -0.13 0.13 0.00 0.08 0.00 0.00 57.88 57.67 3kpr h LEU 110 Cb 1.11 0.11 -0.16 0.00 1.08 0.00 0.00 40.66 42.79 3kpr h LEU 110 CO 1.10 0.01 0.54 0.00 -1.08 0.00 0.00 178.44 179.01 3kpr s ARG 111 N -4.02 0.73 0.13 1.13 1.70 -1.23 -5.01 118.95 112.39 3kpr s ARG 111 Ca -0.12 -0.23 0.05 0.00 -0.47 0.00 0.00 55.73 54.96 3kpr s ARG 111 Cb 0.01 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 3kpr s ARG 111 CO 0.43 -0.31 0.06 0.20 -1.08 0.00 0.00 175.30 174.59 3kpr s GLY 112 N -2.31 1.82 0.01 3.88 0.00 -1.26 -1.86 107.32 107.59 3kpr s GLY 112 Ca 0.05 -1.20 0.05 0.00 0.00 0.00 0.00 44.72 43.62 3kpr s GLY 112 CO -0.07 -1.20 -0.16 -0.19 0.00 0.00 0.00 173.10 171.48 3kpr s TYR 113 N -1.57 1.38 -0.36 1.90 1.51 0.13 -4.87 117.35 115.46 3kpr s TYR 113 Ca 0.28 -0.30 0.06 0.00 -1.01 0.00 0.00 57.07 56.11 3kpr s TYR 113 Cb -0.11 -0.86 0.18 0.00 -0.11 0.00 0.00 41.96 41.06 3kpr s TYR 113 CO 0.21 0.01 0.55 0.34 -1.11 0.00 0.00 175.55 175.55 3kpr s ASP 114 N -0.68 -0.90 0.18 2.29 2.15 -1.25 -1.44 116.67 117.02 3kpr s ASP 114 Ca 0.05 -0.64 0.11 0.00 0.43 0.00 0.00 52.55 52.50 3kpr s ASP 114 Cb -0.07 1.66 -0.04 0.00 -0.30 0.00 0.00 42.92 44.16 3kpr s ASP 114 CO 0.00 -0.24 -0.20 -1.10 -0.17 0.00 0.00 175.17 173.46 3kpr s GLN 115 N 2.09 1.66 0.01 4.34 -0.21 -0.88 -0.99 119.66 125.68 3kpr s GLN 115 Ca 0.14 -1.41 0.03 0.00 0.02 0.00 0.00 55.36 54.14 3kpr s GLN 115 Cb -0.08 -1.95 -0.01 0.00 1.00 0.00 0.00 33.01 31.97 3kpr s GLN 115 CO -0.14 0.42 -0.10 0.71 -2.12 0.00 0.00 175.29 174.06 3kpr s TYR 116 N -1.56 0.90 0.07 0.91 1.51 0.12 -2.27 117.35 117.03 3kpr s TYR 116 Ca 0.21 -0.22 0.08 0.00 -1.01 0.00 0.00 57.07 56.12 3kpr s TYR 116 Cb -0.09 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.17 3kpr s TYR 116 CO 0.11 -0.01 -0.21 0.00 -1.11 0.00 0.00 175.55 174.32 3kpr s ALA 117 N -0.43 1.82 -0.15 3.71 0.00 0.31 -0.86 121.76 126.17 3kpr s ALA 117 Ca 0.02 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.85 3kpr s ALA 117 Cb -0.05 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.77 3kpr s ALA 117 CO -0.00 0.40 -0.20 -0.47 0.00 0.00 0.00 175.76 175.48 3kpr s TYR 118 N -0.93 2.62 -1.33 0.00 5.04 0.18 -1.32 117.35 121.61 3kpr s TYR 118 Ca 0.08 -1.41 -0.02 0.00 -2.44 0.00 0.00 57.07 53.28 3kpr s TYR 118 Cb -0.09 -1.81 0.01 0.00 0.35 0.00 0.00 41.96 40.42 3kpr s TYR 118 CO 0.03 -0.67 0.17 -0.25 -1.34 0.00 0.00 175.55 173.49 3kpr n ASP 119 N 4.30 -4.67 0.00 4.32 8.00 0.86 -1.88 116.55 127.48 3kpr n ASP 119 Ca -0.20 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.28 3kpr n ASP 119 Cb 0.51 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 3kpr n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpr n GLY 120 N -1.02 1.74 3.88 0.44 0.00 -1.26 -5.01 105.19 103.96 3kpr n GLY 120 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3kpr n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpr s LYS 121 N -0.51 3.58 0.39 1.61 1.02 -0.79 -5.03 119.74 120.02 3kpr s LYS 121 Ca 0.00 -0.07 -0.25 0.00 0.02 0.00 0.00 55.97 55.67 3kpr s LYS 121 Cb 0.00 -3.08 -0.12 0.00 -0.52 0.00 0.00 37.83 34.11 3kpr s LYS 121 CO 0.00 0.65 0.91 -0.25 -0.92 0.00 0.00 175.35 175.74 3kpr n ASP 122 N 1.13 0.80 0.00 2.83 8.00 -1.26 -0.65 116.55 127.40 3kpr n ASP 122 Ca -0.11 1.04 0.00 0.00 0.71 0.00 0.00 54.79 56.42 3kpr n ASP 122 Cb 0.53 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 3kpr n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kpr n TYR 123 N -0.44 0.00 -3.97 1.24 9.36 -0.04 -4.64 117.16 118.67 3kpr n TYR 123 Ca 0.10 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.20 3kpr n TYR 123 Cb 0.38 0.10 -0.13 0.00 -0.63 0.00 0.00 39.34 39.06 3kpr n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3kpr s ILE 124 N -0.84 0.17 -0.04 2.97 2.07 -1.21 -0.99 121.20 123.33 3kpr s ILE 124 Ca 0.00 -0.48 -0.05 0.00 -1.41 0.00 0.00 60.65 58.71 3kpr s ILE 124 Cb 0.00 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.38 3kpr s ILE 124 CO 0.00 -0.20 0.12 0.00 -1.91 0.00 0.00 174.94 172.95 3kpr s ALA 125 N -0.69 -0.30 0.12 1.50 0.00 -0.88 0.16 121.76 121.67 3kpr s ALA 125 Ca -0.06 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 3kpr s ALA 125 Cb -0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 3kpr s ALA 125 CO -0.00 -0.08 1.25 -1.17 0.00 0.00 0.00 175.76 175.76 3kpr s LEU 126 N -0.14 4.40 0.80 0.00 2.96 -0.16 -0.99 118.68 125.55 3kpr s LEU 126 Ca -0.02 2.19 -0.11 0.00 -0.22 0.00 0.00 54.13 55.96 3kpr s LEU 126 Cb -0.02 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.15 3kpr s LEU 126 CO 0.00 -0.49 1.10 0.20 -1.32 0.00 0.00 176.35 175.84 3kpr s ASN 127 N 0.73 4.48 0.41 3.68 0.01 -0.11 -4.67 114.94 119.47 3kpr s ASN 127 Ca 0.58 1.32 0.14 0.00 -0.71 0.00 0.00 52.86 54.19 3kpr s ASN 127 Cb -0.33 -2.05 1.00 0.00 0.41 0.00 0.00 41.25 40.28 3kpr s ASN 127 CO 0.32 -1.98 1.93 -0.33 -1.51 0.00 0.00 177.10 175.53 3kpr h GLU 128 N -1.09 0.46 0.00 -0.60 5.08 -1.89 -0.78 114.58 115.76 3kpr h GLU 128 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3kpr h GLU 128 Cb 1.27 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3kpr h GLU 128 CO 0.59 0.30 0.00 -0.40 -1.00 0.00 0.00 179.01 178.50 3kpr n ASP 129 N -4.49 0.34 -2.82 1.42 5.68 -1.26 -4.83 116.55 110.59 3kpr n ASP 129 Ca 0.14 0.60 -0.22 0.00 -0.50 0.00 0.00 54.79 54.81 3kpr n ASP 129 Cb 0.48 -0.67 0.02 0.00 -1.14 0.00 0.00 41.12 39.81 3kpr n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kpr n LEU 130 N -1.89 -2.38 0.00 -2.12 4.77 -0.30 -4.82 117.00 110.26 3kpr n LEU 130 Ca 0.02 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3kpr n LEU 130 Cb 0.16 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.31 3kpr n LEU 130 CO 0.14 0.07 -0.10 -1.20 -1.33 0.00 0.00 177.39 174.97 3kpr n SER 131 N -2.34 1.04 -4.28 -1.43 7.64 -1.26 -4.51 113.62 108.49 3kpr n SER 131 Ca -0.16 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.57 3kpr n SER 131 Cb 0.64 0.20 -0.10 0.00 -1.01 0.00 0.00 64.21 63.94 3kpr n SER 131 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kpr s SER 132 N -0.49 1.03 0.12 6.43 1.04 -1.26 -4.82 113.70 115.75 3kpr s SER 132 Ca 0.00 -1.33 0.08 0.00 0.48 0.00 0.00 55.95 55.18 3kpr s SER 132 Cb 0.00 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 3kpr s SER 132 CO 0.00 -0.71 -0.20 0.26 0.98 0.00 0.00 173.24 173.57 3kpr s TRP 133 N -3.80 1.81 -0.21 5.02 0.52 -1.26 -0.93 118.94 120.09 3kpr s TRP 133 Ca 0.35 -0.44 -0.05 0.00 0.02 0.00 0.00 56.10 55.98 3kpr s TRP 133 Cb 0.07 -0.96 -0.02 0.00 -1.15 0.00 0.00 33.47 31.41 3kpr s TRP 133 CO 0.11 0.25 -0.00 0.99 0.02 0.00 0.00 176.95 178.32 3kpr s THR 134 N -1.47 3.86 -0.19 2.01 2.01 -0.16 -4.91 115.64 116.79 3kpr s THR 134 Ca 0.10 -0.34 -0.09 0.00 0.31 0.00 0.00 61.69 61.67 3kpr s THR 134 Cb -0.08 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 3kpr s THR 134 CO 0.05 0.42 0.09 0.00 -0.69 0.00 0.00 174.62 174.50 3kpr s ALA 135 N 1.13 3.54 0.12 7.40 0.00 -1.26 -2.07 121.76 130.62 3kpr s ALA 135 Ca 0.02 -0.72 0.12 0.00 0.00 0.00 0.00 51.96 51.38 3kpr s ALA 135 Cb -0.14 -2.03 0.16 0.00 0.00 0.00 0.00 23.12 21.11 3kpr s ALA 135 CO 0.01 0.18 1.49 0.00 0.00 0.00 0.00 175.76 177.44 3kpr h ALA 136 N 6.65 0.70 -2.97 0.00 0.00 -1.33 -3.48 119.26 118.83 3kpr h ALA 136 Ca -0.39 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 53.84 3kpr h ALA 136 Cb 1.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3kpr h ALA 136 CO 0.73 0.85 0.14 0.16 0.00 0.00 0.00 179.25 181.13 3kpr s ASP 137 N -6.65 0.13 0.46 0.00 1.47 -1.26 -5.05 116.67 105.77 3kpr s ASP 137 Ca 0.01 -1.10 0.16 0.00 1.18 0.00 0.00 52.55 52.80 3kpr s ASP 137 Cb 0.10 0.77 1.12 0.00 -0.34 0.00 0.00 42.92 44.58 3kpr s ASP 137 CO 0.76 -1.50 2.02 0.71 0.68 0.00 0.00 175.17 177.84 3kpr h THR 138 N 2.04 0.90 -0.32 2.11 1.35 -1.99 -1.62 112.91 115.39 3kpr h THR 138 Ca -0.28 -0.10 -0.06 0.00 -0.55 0.00 0.00 66.41 65.42 3kpr h THR 138 Cb 1.25 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 3kpr h THR 138 CO 0.37 0.05 -0.02 0.00 -0.25 0.00 0.00 175.52 175.66 3kpr h ALA 139 N 1.76 0.43 0.00 6.62 0.00 -1.97 -2.83 119.26 123.27 3kpr h ALA 139 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kpr h ALA 139 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kpr h ALA 139 CO -0.04 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3kpr h ALA 140 N 0.83 1.00 0.00 0.00 0.00 -1.71 -2.93 119.26 116.45 3kpr h ALA 140 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3kpr h ALA 140 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3kpr h ALA 140 CO 0.02 0.00 -0.41 1.96 0.00 0.00 0.00 179.25 180.82 3kpr h GLN 141 N 0.00 0.00 0.00 0.00 4.20 -1.06 0.46 115.11 118.71 3kpr h GLN 141 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kpr h GLN 141 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3kpr h GLN 141 CO 0.00 0.41 -0.00 0.82 -0.67 0.00 0.00 178.83 179.39 3kpr h ILE 142 N 0.00 1.25 -0.90 2.54 2.04 -1.47 -1.50 117.51 119.48 3kpr h ILE 142 Ca -0.00 -0.74 0.09 0.00 1.00 0.00 0.00 64.86 65.21 3kpr h ILE 142 Cb 0.76 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 38.51 3kpr h ILE 142 CO 0.05 0.19 0.54 0.74 0.00 0.00 0.00 178.15 179.68 3kpr h THR 143 N -0.32 0.95 -0.60 -0.27 2.02 -1.56 -1.52 112.91 111.62 3kpr h THR 143 Ca -0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3kpr h THR 143 Cb 0.32 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 3kpr h THR 143 CO 0.00 0.17 0.37 -0.61 0.37 0.00 0.00 175.52 175.82 3kpr h GLN 144 N 0.91 0.80 -0.68 6.66 4.15 -0.82 0.39 115.11 126.53 3kpr h GLN 144 Ca 0.42 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.78 3kpr h GLN 144 Cb 0.35 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 3kpr h GLN 144 CO -0.23 0.56 0.44 0.00 -1.93 0.00 0.00 178.83 177.66 3kpr h ARG 145 N 0.81 0.90 -0.45 1.69 3.08 -0.49 -0.93 114.38 118.99 3kpr h ARG 145 Ca 0.22 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 3kpr h ARG 145 Cb -0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3kpr h ARG 145 CO -0.04 0.61 -0.28 0.87 -1.07 0.00 0.00 179.97 180.06 3kpr h LYS 146 N 0.92 0.98 0.00 0.04 1.57 -0.96 -2.83 116.57 116.30 3kpr h LYS 146 Ca 0.25 -0.45 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 3kpr h LYS 146 Cb -0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3kpr h LYS 146 CO -0.05 1.13 -0.39 -1.49 -0.57 0.00 0.00 179.45 178.08 3kpr h TRP 147 N 0.83 0.00 -0.04 -1.35 4.06 -0.74 -1.09 115.95 117.62 3kpr h TRP 147 Ca 0.09 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.01 3kpr h TRP 147 Cb 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.02 3kpr h TRP 147 CO 0.06 0.39 -0.10 0.93 -3.56 0.00 0.00 178.44 176.15 3kpr h GLU 148 N 0.00 0.14 -0.17 0.49 5.08 -1.14 -1.66 114.58 117.32 3kpr h GLU 148 Ca -0.00 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3kpr h GLU 148 Cb 1.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3kpr h GLU 148 CO 0.05 0.70 -0.27 0.00 -1.00 0.00 0.00 179.01 178.49 3kpr h ALA 149 N 0.44 1.23 0.00 3.43 0.00 -1.49 -2.86 119.26 120.02 3kpr h ALA 149 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kpr h ALA 149 Cb 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3kpr h ALA 149 CO 0.02 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3kpr n ALA 150 N -2.48 2.31 -3.28 0.00 0.00 -0.42 -4.95 120.51 111.69 3kpr n ALA 150 Ca -0.01 -0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 3kpr n ALA 150 Cb 0.39 -1.47 0.08 0.00 0.00 0.00 0.00 19.45 18.45 3kpr n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kpr n ARG 151 N -1.75 -5.94 -0.13 0.00 1.74 -0.95 -4.95 116.66 104.67 3kpr n ARG 151 Ca 0.07 0.74 -0.12 0.00 -0.77 0.00 0.00 57.85 57.77 3kpr n ARG 151 Cb 0.37 -5.45 -0.02 0.00 -1.02 0.00 0.00 32.46 26.34 3kpr n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kpr h VAL 152 N -1.74 1.28 -0.95 1.55 2.07 -1.59 -3.25 116.25 113.62 3kpr h VAL 152 Ca -0.51 -1.34 0.12 0.00 0.82 0.00 0.00 66.70 65.79 3kpr h VAL 152 Cb 1.30 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 32.27 3kpr h VAL 152 CO 0.44 0.45 0.60 0.00 0.02 0.00 0.00 177.57 179.09 3kpr h ALA 153 N 0.82 1.64 -0.62 1.67 0.00 -1.88 -2.00 119.26 118.88 3kpr h ALA 153 Ca 0.09 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kpr h ALA 153 Cb 0.76 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3kpr h ALA 153 CO 0.06 0.12 0.37 0.93 0.00 0.00 0.00 179.25 180.73 3kpr h GLU 154 N 0.88 0.69 -0.44 0.00 5.08 -1.81 0.18 114.58 119.17 3kpr h GLU 154 Ca 0.47 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.78 3kpr h GLU 154 Cb 0.55 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3kpr h GLU 154 CO -0.23 0.46 0.25 0.37 -1.00 0.00 0.00 179.01 178.86 3kpr h GLN 155 N 0.71 0.60 -0.30 2.33 4.15 -1.51 0.11 115.11 121.19 3kpr h GLN 155 Ca 0.26 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.66 3kpr h GLN 155 Cb 0.07 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.60 3kpr h GLN 155 CO -0.13 0.46 0.04 -0.44 -1.93 0.00 0.00 178.83 176.84 3kpr h ASP 156 N 0.57 -0.03 -0.52 -0.69 3.32 -1.00 -1.28 116.42 116.80 3kpr h ASP 156 Ca 0.16 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3kpr h ASP 156 Cb 0.03 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3kpr h ASP 156 CO -0.03 0.02 0.23 -0.09 -1.72 0.00 0.00 179.24 177.65 3kpr h ARG 157 N 0.15 0.77 -0.55 3.56 2.43 -0.40 -0.44 114.38 119.90 3kpr h ARG 157 Ca 0.14 -0.13 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3kpr h ARG 157 Cb 0.17 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.52 3kpr h ARG 157 CO -0.20 0.66 0.22 0.00 -1.51 0.00 0.00 179.97 179.13 3kpr h ALA 158 N 1.07 0.69 0.10 2.80 0.00 -0.48 -1.27 119.26 122.17 3kpr h ALA 158 Ca 0.18 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kpr h ALA 158 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kpr h ALA 158 CO -0.02 -0.18 -0.05 -0.92 0.00 0.00 0.00 179.25 178.09 3kpr h TYR 159 N 0.41 -0.12 -0.09 0.00 3.20 -0.95 -1.30 116.97 118.13 3kpr h TYR 159 Ca 0.26 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 3kpr h TYR 159 Cb 0.28 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3kpr h TYR 159 CO -0.15 0.30 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.41 3kpr h LEU 160 N -0.58 0.14 0.00 2.82 3.38 -1.00 0.10 115.31 120.17 3kpr h LEU 160 Ca -0.01 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3kpr h LEU 160 Cb 0.48 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3kpr h LEU 160 CO 0.02 0.35 -0.99 -0.33 0.09 0.00 0.00 178.44 177.58 3kpr h GLU 161 N 0.14 0.00 0.00 1.13 5.08 -1.32 -3.36 114.58 116.25 3kpr h GLU 161 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3kpr h GLU 161 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3kpr h GLU 161 CO 0.03 0.21 0.00 0.41 -1.00 0.00 0.00 179.01 178.65 3kpr n GLY 162 N 1.27 -0.01 0.29 -3.84 0.00 -0.49 -4.72 105.19 97.69 3kpr n GLY 162 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 3kpr n GLY 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kpr h LEU 163 N 0.00 0.44 -0.22 0.99 5.85 -1.44 -2.21 115.31 118.72 3kpr h LEU 163 Ca 0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3kpr h LEU 163 Cb 0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3kpr h LEU 163 CO 0.00 0.38 0.12 0.00 -0.34 0.00 0.00 178.44 178.60 3kpr h VAL 165 N 0.25 1.28 0.24 0.00 -1.51 -1.67 -2.78 116.25 112.05 3kpr h VAL 165 Ca 0.08 -1.82 -0.01 0.00 -1.23 0.00 0.00 66.70 63.71 3kpr h VAL 165 Cb 0.08 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 3kpr h VAL 165 CO -0.01 0.59 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.47 3kpr h GLU 166 N 0.62 -0.31 -0.50 5.19 5.08 -1.31 -1.90 114.58 121.45 3kpr h GLU 166 Ca -0.01 0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 3kpr h GLU 166 Cb 1.25 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3kpr h GLU 166 CO 0.14 -0.18 -0.16 0.66 -1.00 0.00 0.00 179.01 178.47 3kpr h SER 167 N -0.35 1.01 -0.53 1.42 4.64 -1.27 -1.55 113.55 116.94 3kpr h SER 167 Ca -0.03 -0.37 0.01 0.00 -0.47 0.00 0.00 61.79 60.93 3kpr h SER 167 Cb 0.27 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 3kpr h SER 167 CO 0.05 1.16 0.34 0.25 -0.87 0.00 0.00 176.83 177.76 3kpr h LEU 168 N 0.86 0.58 -1.29 5.97 5.85 -1.49 -0.30 115.31 125.48 3kpr h LEU 168 Ca 0.12 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3kpr h LEU 168 Cb 0.73 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 3kpr h LEU 168 CO 0.06 0.41 -0.17 0.03 -0.34 0.00 0.00 178.44 178.44 3kpr h ARG 169 N 0.69 0.00 -0.12 1.25 3.08 -1.17 -0.77 114.38 117.34 3kpr h ARG 169 Ca 0.20 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 3kpr h ARG 169 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3kpr h ARG 169 CO -0.06 0.17 -0.41 -0.09 -1.07 0.00 0.00 179.97 178.50 3kpr h ARG 170 N 0.00 0.49 -0.74 0.04 2.43 -0.71 -2.74 114.38 113.14 3kpr h ARG 170 Ca -0.00 -0.37 -0.06 0.00 -0.81 0.00 0.00 59.98 58.74 3kpr h ARG 170 Cb 0.64 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 3kpr h ARG 170 CO 0.02 0.99 0.24 1.88 -1.51 0.00 0.00 179.97 181.59 3kpr h TYR 171 N 0.08 1.18 -0.09 2.20 0.05 -0.69 0.34 116.97 120.05 3kpr h TYR 171 Ca -0.02 -0.12 -0.07 0.00 0.05 0.00 0.00 58.73 58.58 3kpr h TYR 171 Cb 1.04 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 3kpr h TYR 171 CO 0.11 0.93 -0.27 -0.07 -1.05 0.00 0.00 178.16 177.81 3kpr h LEU 172 N 1.09 0.16 0.02 3.88 3.38 -1.23 0.11 115.31 122.73 3kpr h LEU 172 Ca 0.24 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 3kpr h LEU 172 Cb 0.30 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.02 3kpr h LEU 172 CO -0.01 0.43 -0.78 -0.08 0.09 0.00 0.00 178.44 178.09 3kpr h GLU 173 N 0.15 0.49 -0.28 1.13 4.57 -1.15 -2.57 114.58 116.92 3kpr h GLU 173 Ca 0.02 -0.56 -0.11 0.00 -1.18 0.00 0.00 59.36 57.54 3kpr h GLU 173 Cb 0.56 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 3kpr h GLU 173 CO 0.04 1.19 -0.27 -0.91 -1.18 0.00 0.00 179.01 177.88 3kpr h ASN 174 N 0.03 0.58 -0.82 1.04 2.35 -0.73 -3.19 115.58 114.83 3kpr h ASN 174 Ca -0.10 -0.21 -0.58 0.00 -0.55 0.00 0.00 56.30 54.86 3kpr h ASN 174 Cb 1.48 -0.16 -0.36 0.00 0.05 0.00 0.00 38.32 39.34 3kpr h ASN 174 CO 0.15 0.83 -0.14 0.61 -1.65 0.00 0.00 177.43 177.23 3kpr n GLY 175 N -0.28 6.12 0.34 2.83 0.00 0.37 -4.83 105.19 109.73 3kpr n GLY 175 Ca -0.00 -2.44 0.01 0.00 0.00 0.00 0.00 46.02 43.59 3kpr n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kpr h LYS 176 N 2.04 0.89 -0.68 1.61 2.10 -1.44 0.19 116.57 121.27 3kpr h LYS 176 Ca 0.45 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 59.01 3kpr h LYS 176 Cb 1.28 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 32.38 3kpr h LYS 176 CO 1.05 0.59 0.26 1.49 -2.00 0.00 0.00 179.45 180.84 3kpr h GLU 177 N 0.91 1.02 0.05 0.07 4.81 -1.88 -2.30 114.58 117.27 3kpr h GLU 177 Ca 0.25 -0.19 -0.35 0.00 -0.13 0.00 0.00 59.36 58.93 3kpr h GLU 177 Cb -0.11 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.07 3kpr h GLU 177 CO -0.05 0.86 -1.99 0.25 -0.73 0.00 0.00 179.01 177.35 3kpr n THR 178 N -4.38 1.63 0.09 0.32 -2.24 -1.02 -4.15 114.28 104.53 3kpr n THR 178 Ca 0.05 -0.45 -0.03 0.00 -2.27 0.00 0.00 64.05 61.34 3kpr n THR 178 Cb 0.18 -1.77 -0.07 0.00 -2.10 0.00 0.00 70.33 66.58 3kpr n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kpr h LEU 179 N -0.34 0.00 0.00 3.22 3.38 -0.76 -3.39 115.31 117.42 3kpr h LEU 179 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kpr h LEU 179 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 3kpr h LEU 179 CO -0.09 0.81 -1.88 0.00 0.09 0.00 0.00 178.44 177.38 3kpr n GLN 180 N -3.28 0.58 -4.63 1.13 6.02 -0.86 -4.85 117.38 111.48 3kpr n GLN 180 Ca -0.00 -0.18 -0.33 0.00 -0.01 0.00 0.00 57.00 56.48 3kpr n GLN 180 Cb 0.87 -1.52 -0.13 0.00 1.02 0.00 0.00 30.24 30.48 3kpr n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3kpr s ARG 181 N -3.45 3.46 0.35 -1.09 3.52 -1.25 -4.99 118.95 115.49 3kpr s ARG 181 Ca -0.06 -0.62 -0.26 0.00 -0.13 0.00 0.00 55.73 54.66 3kpr s ARG 181 Cb 0.14 -2.73 -0.09 0.00 -1.56 0.00 0.00 34.95 30.71 3kpr s ARG 181 CO 0.90 0.25 1.01 0.00 -0.81 0.00 0.00 175.30 176.66 3kpr s ALA 182 N 0.29 3.19 -0.34 6.12 0.00 -1.26 -4.83 121.76 124.93 3kpr s ALA 182 Ca -0.07 0.66 -0.17 0.00 0.00 0.00 0.00 51.96 52.38 3kpr s ALA 182 Cb -0.15 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3kpr s ALA 182 CO 0.04 -0.05 0.47 -0.51 0.00 0.00 0.00 175.76 175.72 3kpr s ASP 183 N -1.47 6.29 0.42 0.00 1.01 -0.75 -4.64 116.67 117.54 3kpr s ASP 183 Ca 0.52 -0.02 -0.25 0.00 0.71 0.00 0.00 52.55 53.51 3kpr s ASP 183 Cb -0.22 -2.25 -0.08 0.00 1.01 0.00 0.00 42.92 41.37 3kpr s ASP 183 CO 0.28 -0.42 1.31 -2.16 0.21 0.00 0.00 175.17 174.40 3kpr s PRO 184 N 2.28 3.86 0.40 8.23 0.04 -1.26 -1.75 135.00 146.80 3kpr s PRO 184 Ca 0.17 2.17 -0.26 0.00 0.04 0.00 0.00 61.00 63.12 3kpr s PRO 184 Cb -0.16 -2.69 -0.09 0.00 0.04 0.00 0.00 34.50 31.61 3kpr s PRO 184 CO 0.12 -0.58 1.20 -1.25 0.04 0.00 0.00 177.00 176.53 3kpr s PRO 185 N -2.34 4.06 -0.28 0.56 0.04 -1.26 -4.52 135.00 131.25 3kpr s PRO 185 Ca 0.59 1.93 -0.22 0.00 0.04 0.00 0.00 61.00 63.34 3kpr s PRO 185 Cb -0.38 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 3kpr s PRO 185 CO 0.49 -0.34 0.69 0.15 0.04 0.00 0.00 177.00 178.03 3kpr s LYS 186 N -2.24 4.02 -0.06 4.56 3.01 0.12 -4.81 119.74 124.33 3kpr s LYS 186 Ca 0.56 0.53 0.06 0.00 -1.01 0.00 0.00 55.97 56.11 3kpr s LYS 186 Cb -0.33 -3.69 -0.01 0.00 -1.01 0.00 0.00 37.83 32.79 3kpr s LYS 186 CO 0.42 -0.54 -0.24 0.95 0.51 0.00 0.00 175.35 176.44 3kpr s THR 187 N 2.69 2.01 -0.00 2.17 -4.23 -1.26 -1.17 115.64 115.85 3kpr s THR 187 Ca 0.28 -1.04 -0.22 0.00 -1.18 0.00 0.00 61.69 59.53 3kpr s THR 187 Cb -0.15 -1.71 0.05 0.00 1.34 0.00 0.00 72.50 72.03 3kpr s THR 187 CO 0.10 0.56 0.49 -1.38 -0.54 0.00 0.00 174.62 173.85 3kpr s HIS 188 N -0.11 -0.40 -0.27 3.99 -3.43 -1.17 -5.01 115.29 108.88 3kpr s HIS 188 Ca -0.05 0.59 -0.09 0.00 -0.80 0.00 0.00 55.06 54.71 3kpr s HIS 188 Cb -0.14 0.27 -0.02 0.00 -1.43 0.00 0.00 32.58 31.26 3kpr s HIS 188 CO 0.04 -0.54 0.11 0.08 -2.00 0.00 0.00 174.74 172.43 3kpr s VAL 189 N -1.69 4.53 0.43 -5.38 1.01 -1.26 -1.33 120.40 116.71 3kpr s VAL 189 Ca -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 3kpr s VAL 189 Cb -0.02 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3kpr s VAL 189 CO 0.04 0.23 0.67 0.42 0.00 0.00 0.00 175.10 176.46 3kpr s THR 190 N 1.63 4.51 -0.08 3.92 -4.23 -0.25 -4.74 115.64 116.40 3kpr s THR 190 Ca 0.06 -0.32 0.01 0.00 -1.18 0.00 0.00 61.69 60.26 3kpr s THR 190 Cb -0.16 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.02 3kpr s THR 190 CO 0.05 -0.51 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.25 3kpr s HIS 191 N -2.54 1.35 -0.20 3.99 5.65 -1.26 -1.51 115.29 120.77 3kpr s HIS 191 Ca 0.46 -0.56 -0.04 0.00 0.25 0.00 0.00 55.06 55.17 3kpr s HIS 191 Cb -0.10 -1.07 0.07 0.00 -1.18 0.00 0.00 32.58 30.30 3kpr s HIS 191 CO 0.39 -0.35 0.08 -1.01 -0.65 0.00 0.00 174.74 173.20 3kpr s HIS 192 N 1.12 0.50 0.53 3.88 3.76 0.34 -5.00 115.29 120.42 3kpr s HIS 192 Ca -0.06 -0.59 -0.21 0.00 -0.15 0.00 0.00 55.06 54.04 3kpr s HIS 192 Cb -0.14 -0.85 -0.05 0.00 1.11 0.00 0.00 32.58 32.65 3kpr s HIS 192 CO -0.01 -0.59 1.27 -2.14 -0.85 0.00 0.00 174.74 172.42 3kpr s PRO 193 N 2.03 3.26 -0.03 8.40 0.02 -1.26 0.60 135.00 148.03 3kpr s PRO 193 Ca 0.02 2.02 -0.00 0.00 0.02 0.00 0.00 61.00 63.05 3kpr s PRO 193 Cb -0.16 -2.22 -0.02 0.00 0.02 0.00 0.00 34.50 32.12 3kpr s PRO 193 CO -0.13 -1.02 -0.03 -0.89 -0.33 0.00 0.00 177.00 174.60 3kpr n ILE 194 N -1.01 0.19 -3.28 2.83 2.08 -0.44 -4.82 119.36 114.91 3kpr n ILE 194 Ca 0.10 -0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.35 3kpr n ILE 194 Cb 0.47 -0.95 0.00 0.00 -0.75 0.00 0.00 39.64 38.41 3kpr n ILE 194 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3kpr n SER 195 N -2.79 0.12 -0.06 4.38 3.41 -0.28 -4.99 113.62 113.41 3kpr n SER 195 Ca -0.06 -0.28 -0.13 0.00 -0.26 0.00 0.00 58.87 58.14 3kpr n SER 195 Cb 0.56 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3kpr n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kpr h ASP 196 N 0.00 0.87 0.14 4.04 3.32 -2.04 -3.37 116.42 119.39 3kpr h ASP 196 Ca 0.00 -0.45 -0.35 0.00 0.02 0.00 0.00 57.03 56.25 3kpr h ASP 196 Cb 0.00 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.24 3kpr h ASP 196 CO 0.00 1.22 -2.19 1.41 -1.72 0.00 0.00 179.24 177.96 3kpr n HIS 197 N -4.00 0.40 -4.68 4.55 8.25 -1.26 -4.80 115.22 113.68 3kpr n HIS 197 Ca -0.03 0.12 -0.33 0.00 -0.26 0.00 0.00 57.72 57.21 3kpr n HIS 197 Cb 0.60 -1.07 -0.12 0.00 1.12 0.00 0.00 29.99 30.52 3kpr n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3kpr s GLU 198 N -2.53 2.98 0.26 -0.41 2.02 -1.26 0.26 118.70 120.02 3kpr s GLU 198 Ca -0.15 -0.60 0.03 0.00 0.02 0.00 0.00 54.97 54.27 3kpr s GLU 198 Cb 0.07 -2.61 -0.05 0.00 0.10 0.00 0.00 34.13 31.64 3kpr s GLU 198 CO 0.78 0.49 0.03 0.14 0.02 0.00 0.00 175.26 176.72 3kpr s VAL 199 N -0.36 0.98 -0.04 2.63 -7.23 0.37 -1.12 120.40 115.63 3kpr s VAL 199 Ca 0.05 -2.02 0.07 0.00 -1.81 0.00 0.00 61.98 58.27 3kpr s VAL 199 Cb -0.12 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 3kpr s VAL 199 CO 0.02 -0.18 -0.26 -0.89 -0.31 0.00 0.00 175.10 173.49 3kpr s THR 200 N -3.46 2.05 -0.22 5.32 2.01 0.20 -0.02 115.64 121.53 3kpr s THR 200 Ca 0.32 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 3kpr s THR 200 Cb 0.07 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.88 3kpr s THR 200 CO 0.11 0.58 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.75 3kpr s LEU 201 N -0.43 2.78 -0.27 4.42 1.43 -0.49 -0.51 118.68 125.61 3kpr s LEU 201 Ca 0.04 -0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 52.34 3kpr s LEU 201 Cb -0.12 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 3kpr s LEU 201 CO 0.01 -0.06 0.11 -0.60 0.23 0.00 0.00 176.35 176.03 3kpr s ARG 202 N 1.33 3.55 -0.40 1.70 3.52 -0.57 -2.08 118.95 126.01 3kpr s ARG 202 Ca 0.03 -0.56 -0.22 0.00 -0.13 0.00 0.00 55.73 54.85 3kpr s ARG 202 Cb -0.15 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 29.82 3kpr s ARG 202 CO -0.07 -0.27 0.71 0.00 -0.81 0.00 0.00 175.30 174.86 3kpr s TRP 204 N 2.98 3.67 -0.15 0.00 0.52 -0.44 -1.52 118.94 123.99 3kpr s TRP 204 Ca 0.27 0.80 -0.01 0.00 0.02 0.00 0.00 56.10 57.18 3kpr s TRP 204 Cb -0.13 -2.14 0.04 0.00 -1.15 0.00 0.00 33.47 30.08 3kpr s TRP 204 CO 0.18 0.68 -0.03 0.00 0.02 0.00 0.00 176.95 177.80 3kpr s ALA 205 N -1.07 1.27 -0.02 0.98 0.00 0.14 -3.04 121.76 120.01 3kpr s ALA 205 Ca 0.21 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.55 3kpr s ALA 205 Cb -0.15 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 3kpr s ALA 205 CO 0.10 -0.76 -0.18 -0.51 0.00 0.00 0.00 175.76 174.41 3kpr s LEU 206 N 1.73 2.00 -0.68 0.00 1.43 -0.32 -1.56 118.68 121.28 3kpr s LEU 206 Ca 0.02 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3kpr s LEU 206 Cb -0.15 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.14 3kpr s LEU 206 CO -0.07 0.20 0.58 0.61 0.23 0.00 0.00 176.35 177.90 3kpr n GLY 207 N 2.77 0.20 3.78 -3.19 0.00 -0.44 0.12 105.19 108.44 3kpr n GLY 207 Ca -0.16 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 3kpr n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kpr s PHE 208 N -3.14 3.21 -0.08 1.61 -0.71 -1.08 -4.56 117.98 113.23 3kpr s PHE 208 Ca 0.29 0.09 -0.06 0.00 -1.04 0.00 0.00 56.93 56.21 3kpr s PHE 208 Cb -0.13 -1.64 0.03 0.00 -1.21 0.00 0.00 43.02 40.07 3kpr s PHE 208 CO 0.36 0.53 0.21 -0.47 -1.34 0.00 0.00 175.22 174.50 3kpr s TYR 209 N -1.38 -0.24 0.31 3.49 6.14 -0.72 -1.35 117.35 123.60 3kpr s TYR 209 Ca 0.29 0.58 -0.05 0.00 0.64 0.00 0.00 57.07 58.53 3kpr s TYR 209 Cb -0.12 0.06 0.07 0.00 0.42 0.00 0.00 41.96 42.39 3kpr s TYR 209 CO 0.22 -0.14 0.34 -0.35 0.64 0.00 0.00 175.55 176.26 3kpr n PRO 210 N 3.31 -1.00 0.15 4.97 -0.04 -1.26 -1.81 135.00 139.31 3kpr n PRO 210 Ca -0.16 -0.53 0.02 0.00 -0.04 0.00 0.00 63.50 62.79 3kpr n PRO 210 Cb 0.57 -0.42 0.38 0.00 -0.04 0.00 0.00 33.50 33.99 3kpr n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kpr h ALA 211 N -2.08 1.47 -2.14 0.55 0.00 -1.95 -3.45 119.26 111.67 3kpr h ALA 211 Ca -0.12 -0.25 -0.60 0.00 0.00 0.00 0.00 54.91 53.94 3kpr h ALA 211 Cb 0.34 -0.07 0.04 0.00 0.00 0.00 0.00 17.79 18.10 3kpr h ALA 211 CO 0.08 0.38 0.88 -1.91 0.00 0.00 0.00 179.25 178.68 3kpr n GLU 212 N -4.22 2.07 -3.57 0.00 4.07 -1.26 -4.97 120.64 112.76 3kpr n GLU 212 Ca -0.01 0.75 -0.12 0.00 -0.06 0.00 0.00 57.16 57.72 3kpr n GLU 212 Cb 0.32 -2.54 -0.06 0.00 -0.06 0.00 0.00 31.44 29.11 3kpr n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3kpr s ILE 213 N 1.99 0.00 -0.13 6.31 2.07 -1.26 -4.64 121.20 125.54 3kpr s ILE 213 Ca 0.84 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.09 3kpr s ILE 213 Cb -0.71 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.90 3kpr s ILE 213 CO 0.44 0.00 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.43 3kpr s THR 214 N -0.97 1.53 -0.22 4.00 2.01 -0.89 -4.99 115.64 116.11 3kpr s THR 214 Ca -0.03 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.36 3kpr s THR 214 Cb -0.01 -1.42 0.04 0.00 0.01 0.00 0.00 72.50 71.12 3kpr s THR 214 CO 0.03 0.45 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.50 3kpr s LEU 215 N 1.28 2.72 -0.00 4.42 1.43 -1.26 -1.72 118.68 125.55 3kpr s LEU 215 Ca 0.00 -1.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.11 3kpr s LEU 215 Cb -0.14 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 3kpr s LEU 215 CO -0.07 -0.11 -0.07 0.42 0.23 0.00 0.00 176.35 176.75 3kpr s THR 216 N 1.23 0.58 0.13 5.49 -4.23 -1.12 -4.89 115.64 112.84 3kpr s THR 216 Ca -0.02 -0.36 -0.13 0.00 -1.18 0.00 0.00 61.69 59.99 3kpr s THR 216 Cb -0.17 -0.50 -0.07 0.00 1.34 0.00 0.00 72.50 73.11 3kpr s THR 216 CO -0.09 0.13 0.52 0.26 -0.54 0.00 0.00 174.62 174.91 3kpr s TRP 217 N -0.25 3.60 0.01 3.99 0.52 -1.26 -1.68 118.94 123.87 3kpr s TRP 217 Ca 0.02 1.01 0.05 0.00 0.02 0.00 0.00 56.10 57.21 3kpr s TRP 217 Cb -0.03 -2.33 -0.02 0.00 -1.15 0.00 0.00 33.47 29.94 3kpr s TRP 217 CO -0.00 0.44 -0.17 -0.65 0.02 0.00 0.00 176.95 176.60 3kpr s GLN 218 N -1.95 1.25 -0.33 4.98 -0.21 0.68 -1.60 119.66 122.48 3kpr s GLN 218 Ca 0.37 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 55.09 3kpr s GLN 218 Cb -0.15 -1.25 0.09 0.00 1.00 0.00 0.00 33.01 32.70 3kpr s GLN 218 CO 0.19 0.33 0.03 0.50 -2.12 0.00 0.00 175.29 174.23 3kpr s ARG 219 N -0.70 1.60 -1.63 2.91 3.52 0.30 -1.49 118.95 123.46 3kpr s ARG 219 Ca 0.06 -1.81 0.00 0.00 -0.13 0.00 0.00 55.73 53.85 3kpr s ARG 219 Cb -0.07 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 3kpr s ARG 219 CO 0.00 -0.89 0.00 -0.25 -0.81 0.00 0.00 175.30 173.35 3kpr n ASP 220 N 4.29 -4.91 0.00 -2.12 9.92 -1.23 -1.56 116.55 120.94 3kpr n ASP 220 Ca 0.01 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 3kpr n ASP 220 Cb 0.42 -4.23 0.00 0.00 -0.64 0.00 0.00 41.12 36.67 3kpr n ASP 220 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kpr n GLY 221 N -0.70 2.46 3.77 0.44 0.00 -1.26 -5.09 105.19 104.81 3kpr n GLY 221 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 3kpr n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kpr s GLU 222 N -0.29 4.35 0.21 1.61 0.41 -0.60 -5.05 118.70 119.34 3kpr s GLU 222 Ca 0.00 0.83 -0.30 0.00 -0.41 0.00 0.00 54.97 55.09 3kpr s GLU 222 Cb 0.00 -3.32 -0.08 0.00 -1.78 0.00 0.00 34.13 28.94 3kpr s GLU 222 CO 0.00 0.41 1.17 -0.51 -0.49 0.00 0.00 175.26 175.84 3kpr s ASP 223 N -0.39 7.13 -0.47 -0.19 1.01 -1.26 -0.54 116.67 121.96 3kpr s ASP 223 Ca 0.32 2.25 0.03 0.00 0.71 0.00 0.00 52.55 55.86 3kpr s ASP 223 Cb -0.19 -2.61 0.44 0.00 1.01 0.00 0.00 42.92 41.57 3kpr s ASP 223 CO 0.19 -0.31 1.50 0.00 0.21 0.00 0.00 175.17 176.76 3kpr n GLN 224 N 2.12 3.25 0.25 8.23 1.13 -0.63 -4.76 117.38 126.97 3kpr n GLN 224 Ca 0.03 -3.91 0.11 0.00 -1.94 0.00 0.00 57.00 51.29 3kpr n GLN 224 Cb 0.45 -2.28 0.64 0.00 0.11 0.00 0.00 30.24 29.16 3kpr n GLN 224 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3kpr h THR 225 N 1.89 0.61 0.08 5.09 1.35 -1.93 -3.17 112.91 116.82 3kpr h THR 225 Ca 0.45 -0.73 -0.29 0.00 -0.55 0.00 0.00 66.41 65.29 3kpr h THR 225 Cb 1.10 1.47 0.03 0.00 -1.73 0.00 0.00 68.15 69.01 3kpr h THR 225 CO 1.08 0.16 -1.17 -0.61 -0.25 0.00 0.00 175.52 174.72 3kpr h GLN 226 N 0.00 0.65 -2.01 4.72 5.75 -1.98 -3.36 115.11 118.88 3kpr h GLN 226 Ca -0.00 -0.80 -0.70 0.00 -0.15 0.00 0.00 58.65 57.00 3kpr h GLN 226 Cb 0.46 0.25 -0.33 0.00 1.07 0.00 0.00 27.48 28.92 3kpr h GLN 226 CO 0.02 1.36 0.31 -0.25 -2.65 0.00 0.00 178.83 177.61 3kpr n ASP 227 N -3.81 6.24 -3.68 -0.69 10.43 -1.20 -4.95 116.55 118.89 3kpr n ASP 227 Ca -0.13 -3.74 -0.16 0.00 2.57 0.00 0.00 54.79 53.33 3kpr n ASP 227 Cb 0.95 -0.85 -0.15 0.00 1.84 0.00 0.00 41.12 42.90 3kpr n ASP 227 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3kpr s THR 228 N -4.88 -0.22 -0.36 -3.53 2.01 -1.25 -4.55 115.64 102.86 3kpr s THR 228 Ca 0.47 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.49 3kpr s THR 228 Cb 0.33 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.57 3kpr s THR 228 CO -0.24 0.13 1.11 -0.70 -0.69 0.00 0.00 174.62 174.24 3kpr s GLU 229 N 2.05 3.95 -0.34 4.92 2.12 -1.02 -4.94 118.70 125.45 3kpr s GLU 229 Ca 0.00 0.94 -0.01 0.00 0.36 0.00 0.00 54.97 56.26 3kpr s GLU 229 Cb -0.12 -3.80 0.08 0.00 0.26 0.00 0.00 34.13 30.55 3kpr s GLU 229 CO -0.06 -1.06 0.06 -1.17 -0.54 0.00 0.00 175.26 172.49 3kpr s LEU 230 N 3.95 4.40 0.59 2.70 2.96 -1.26 -2.72 118.68 129.30 3kpr s LEU 230 Ca 0.47 -1.64 -0.17 0.00 -0.22 0.00 0.00 54.13 52.57 3kpr s LEU 230 Cb -0.11 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3kpr s LEU 230 CO 0.21 -0.36 1.10 0.68 -1.32 0.00 0.00 176.35 176.66 3kpr s VAL 231 N 1.16 3.39 0.36 1.68 -7.23 -1.24 -5.00 120.40 113.52 3kpr s VAL 231 Ca 0.01 0.74 -0.28 0.00 -1.81 0.00 0.00 61.98 60.64 3kpr s VAL 231 Cb -0.21 -3.26 -0.10 0.00 0.56 0.00 0.00 36.38 33.38 3kpr s VAL 231 CO -0.03 -0.31 1.38 -0.70 -0.31 0.00 0.00 175.10 175.12 3kpr s GLU 232 N -3.75 4.22 0.26 4.82 2.12 -1.26 -4.76 118.70 120.35 3kpr s GLU 232 Ca 0.68 2.35 -0.31 0.00 0.36 0.00 0.00 54.97 58.05 3kpr s GLU 232 Cb -0.20 -3.00 -0.11 0.00 0.26 0.00 0.00 34.13 31.08 3kpr s GLU 232 CO 0.34 -0.35 1.61 0.99 -0.54 0.00 0.00 175.26 177.30 3kpr s THR 233 N -1.14 2.17 0.11 -1.70 2.01 -1.26 -4.92 115.64 110.90 3kpr s THR 233 Ca 0.51 0.13 0.09 0.00 0.31 0.00 0.00 61.69 62.73 3kpr s THR 233 Cb -0.42 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 3kpr s THR 233 CO 0.56 0.02 -0.22 0.00 -0.69 0.00 0.00 174.62 174.30 3kpr s ARG 234 N 0.06 1.16 0.20 4.92 1.70 -0.71 -4.99 118.95 121.29 3kpr s ARG 234 Ca 0.66 -1.19 -0.30 0.00 -0.47 0.00 0.00 55.73 54.44 3kpr s ARG 234 Cb -0.47 -1.45 -0.08 0.00 -0.57 0.00 0.00 34.95 32.37 3kpr s ARG 234 CO 0.42 0.34 1.11 -1.25 -1.08 0.00 0.00 175.30 174.84 3kpr s PRO 235 N -1.93 4.60 0.14 3.89 0.04 -1.26 -0.88 135.00 139.60 3kpr s PRO 235 Ca 0.07 1.75 0.04 0.00 0.04 0.00 0.00 61.00 62.91 3kpr s PRO 235 Cb -0.10 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.08 3kpr s PRO 235 CO 0.04 0.09 1.32 0.00 0.04 0.00 0.00 177.00 178.50 3kpr h ALA 236 N 4.80 0.42 0.00 8.56 0.00 -1.36 -3.45 119.26 128.23 3kpr h ALA 236 Ca -0.45 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.64 3kpr h ALA 236 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3kpr h ALA 236 CO 0.71 1.06 0.00 0.41 0.00 0.00 0.00 179.25 181.43 3kpr n GLY 237 N 1.13 1.99 1.28 0.00 0.00 -1.26 -4.94 105.19 103.38 3kpr n GLY 237 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 3kpr n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kpr n ASP 238 N 0.00 2.88 0.00 1.61 5.68 -1.26 -4.92 116.55 120.53 3kpr n ASP 238 Ca 0.00 -3.64 0.00 0.00 -0.50 0.00 0.00 54.79 50.65 3kpr n ASP 238 Cb 0.00 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.33 3kpr n ASP 238 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3kpr n ARG 239 N -1.02 0.00 -3.08 0.11 1.74 -1.26 -5.03 116.66 108.12 3kpr n ARG 239 Ca 0.35 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.23 3kpr n ARG 239 Cb 1.10 -2.30 0.06 0.00 -1.02 0.00 0.00 32.46 30.31 3kpr n ARG 239 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kpr n THR 240 N -2.00 0.00 -4.27 0.55 -2.24 -1.26 -4.93 114.28 100.13 3kpr n THR 240 Ca 0.00 -1.99 -0.15 0.00 -2.27 0.00 0.00 64.05 59.64 3kpr n THR 240 Cb 0.00 -0.47 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 3kpr n THR 240 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3kpr s PHE 241 N -2.67 1.35 0.08 4.78 0.40 -0.46 -0.98 117.98 120.48 3kpr s PHE 241 Ca 0.59 -0.73 0.07 0.00 -0.60 0.00 0.00 56.93 56.26 3kpr s PHE 241 Cb -0.05 -0.68 -0.03 0.00 0.51 0.00 0.00 43.02 42.78 3kpr s PHE 241 CO 0.38 0.12 -0.19 -0.65 0.70 0.00 0.00 175.22 175.58 3kpr s GLN 242 N -3.73 1.08 -0.08 0.44 -0.21 -0.05 -1.32 119.66 115.78 3kpr s GLN 242 Ca 0.18 -1.04 -0.28 0.00 0.02 0.00 0.00 55.36 54.25 3kpr s GLN 242 Cb 0.02 -1.24 0.06 0.00 1.00 0.00 0.00 33.01 32.85 3kpr s GLN 242 CO 0.02 0.29 0.63 0.21 -2.12 0.00 0.00 175.29 174.33 3kpr s LYS 243 N -1.67 0.97 0.02 2.91 2.20 -0.60 -1.73 119.74 121.84 3kpr s LYS 243 Ca 0.04 0.32 -0.03 0.00 -0.36 0.00 0.00 55.97 55.94 3kpr s LYS 243 Cb -0.10 0.46 -0.02 0.00 -1.51 0.00 0.00 37.83 36.66 3kpr s LYS 243 CO 0.03 -0.27 0.04 1.67 -0.36 0.00 0.00 175.35 176.45 3kpr s TRP 244 N -0.95 0.23 -0.11 4.03 1.48 -1.26 -0.69 118.94 121.68 3kpr s TRP 244 Ca -0.09 -0.51 0.02 0.00 -1.06 0.00 0.00 56.10 54.46 3kpr s TRP 244 Cb -0.01 -0.17 0.01 0.00 -1.16 0.00 0.00 33.47 32.14 3kpr s TRP 244 CO 0.08 -0.28 -0.16 0.00 -4.06 0.00 0.00 176.95 172.53 3kpr s ALA 245 N -2.03 1.73 -0.06 2.67 0.00 -0.58 -3.60 121.76 119.89 3kpr s ALA 245 Ca -0.10 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.16 3kpr s ALA 245 Cb -0.05 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 3kpr s ALA 245 CO -0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 175.76 175.50 3kpr s ALA 246 N 0.90 2.35 -0.03 0.00 0.00 -1.10 -0.27 121.76 123.61 3kpr s ALA 246 Ca -0.08 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.88 3kpr s ALA 246 Cb -0.15 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.17 3kpr s ALA 246 CO -0.00 0.44 -0.09 0.54 0.00 0.00 0.00 175.76 176.65 3kpr s VAL 247 N -0.29 0.78 -0.23 0.00 0.11 -0.88 -2.43 120.40 117.45 3kpr s VAL 247 Ca 0.01 -0.35 -0.20 0.00 -2.93 0.00 0.00 61.98 58.50 3kpr s VAL 247 Cb -0.13 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 3kpr s VAL 247 CO 0.03 0.25 0.62 -0.69 -3.33 0.00 0.00 175.10 171.98 3kpr s VAL 248 N 0.24 5.00 0.10 2.04 1.01 -1.26 -1.39 120.40 126.14 3kpr s VAL 248 Ca -0.04 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.14 3kpr s VAL 248 Cb -0.09 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 3kpr s VAL 248 CO 0.01 0.07 -0.16 0.68 0.00 0.00 0.00 175.10 175.69 3kpr s VAL 249 N 2.25 1.36 0.49 2.92 -7.23 0.98 -4.97 120.40 116.19 3kpr s VAL 249 Ca 0.27 -1.54 -0.22 0.00 -1.81 0.00 0.00 61.98 58.68 3kpr s VAL 249 Cb -0.16 -1.38 -0.07 0.00 0.56 0.00 0.00 36.38 35.33 3kpr s VAL 249 CO 0.09 -0.26 1.19 -2.84 -0.31 0.00 0.00 175.10 172.97 3kpr s PRO 250 N -2.17 3.59 0.34 4.82 0.02 -1.26 -0.48 135.00 139.86 3kpr s PRO 250 Ca 0.05 1.83 -0.29 0.00 0.02 0.00 0.00 61.00 62.61 3kpr s PRO 250 Cb -0.08 -2.33 -0.10 0.00 0.02 0.00 0.00 34.50 32.01 3kpr s PRO 250 CO 0.03 -0.70 1.36 -1.12 -0.33 0.00 0.00 177.00 176.24 3kpr s SER 251 N -1.35 6.65 0.00 2.53 0.01 0.14 -2.99 113.70 118.70 3kpr s SER 251 Ca 0.66 2.78 0.00 0.00 1.31 0.00 0.00 55.95 60.70 3kpr s SER 251 Cb -0.30 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.28 3kpr s SER 251 CO 0.36 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.99 3kpr n GLY 252 N 0.80 0.53 0.35 3.44 0.00 -1.26 -4.88 105.19 104.16 3kpr n GLY 252 Ca 0.01 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.91 3kpr n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kpr n GLU 253 N -2.92 0.42 0.22 1.61 1.02 -1.16 -4.81 120.64 115.02 3kpr n GLU 253 Ca 0.00 -1.45 0.09 0.00 -0.02 0.00 0.00 57.16 55.78 3kpr n GLU 253 Cb 0.00 -0.80 0.42 0.00 -0.02 0.00 0.00 31.44 31.04 3kpr n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kpr h GLU 254 N 0.00 0.00 0.00 3.49 3.07 -1.90 -3.06 114.58 116.18 3kpr h GLU 254 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3kpr h GLU 254 Cb 1.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 3kpr h GLU 254 CO 0.00 0.24 -0.17 1.96 -1.40 0.00 0.00 179.01 179.64 3kpr h GLN 255 N 0.00 0.00 -0.79 2.33 1.08 -1.87 -2.94 115.11 112.92 3kpr h GLN 255 Ca -0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 3kpr h GLN 255 Cb 0.80 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.15 3kpr h GLN 255 CO 0.03 0.17 0.18 0.54 -0.95 0.00 0.00 178.83 178.80 3kpr n ARG 256 N -3.75 3.26 -4.68 1.46 1.74 -1.15 -4.86 116.66 108.69 3kpr n ARG 256 Ca -0.02 -2.36 -0.26 0.00 -0.77 0.00 0.00 57.85 54.44 3kpr n ARG 256 Cb 0.28 -2.02 -0.17 0.00 -1.02 0.00 0.00 32.46 29.53 3kpr n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kpr s TYR 257 N -2.40 1.69 0.15 -1.55 1.51 -1.11 -3.49 117.35 112.16 3kpr s TYR 257 Ca 0.42 -0.66 0.11 0.00 -1.01 0.00 0.00 57.07 55.93 3kpr s TYR 257 Cb 0.33 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 3kpr s TYR 257 CO 0.11 -0.32 -0.26 0.95 -1.11 0.00 0.00 175.55 174.92 3kpr s THR 258 N 0.65 2.27 -0.20 -0.71 -4.23 -0.55 -4.38 115.64 108.49 3kpr s THR 258 Ca -0.14 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 3kpr s THR 258 Cb -0.16 -2.03 0.03 0.00 1.34 0.00 0.00 72.50 71.68 3kpr s THR 258 CO 0.04 0.01 -0.17 0.00 -0.54 0.00 0.00 174.62 173.96 3kpr s HIS 260 N 1.26 3.44 -0.20 0.00 3.76 -0.68 -1.44 115.29 121.44 3kpr s HIS 260 Ca 0.02 0.60 -0.01 0.00 -0.15 0.00 0.00 55.06 55.52 3kpr s HIS 260 Cb -0.15 -2.39 0.01 0.00 1.11 0.00 0.00 32.58 31.16 3kpr s HIS 260 CO -0.11 0.18 -0.15 0.08 -0.85 0.00 0.00 174.74 173.89 3kpr s VAL 261 N 0.67 2.50 -0.22 -0.90 1.01 -0.22 -2.79 120.40 120.44 3kpr s VAL 261 Ca 0.17 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3kpr s VAL 261 Cb -0.13 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 3kpr s VAL 261 CO 0.05 0.48 -0.03 -1.10 0.00 0.00 0.00 175.10 174.50 3kpr s GLN 262 N 1.35 3.39 0.01 2.72 -0.21 -0.70 -1.77 119.66 124.45 3kpr s GLN 262 Ca 0.05 -0.62 -0.16 0.00 0.02 0.00 0.00 55.36 54.65 3kpr s GLN 262 Cb -0.14 -3.04 0.03 0.00 1.00 0.00 0.00 33.01 30.86 3kpr s GLN 262 CO -0.10 -0.20 0.34 -1.58 -2.12 0.00 0.00 175.29 171.63 3kpr s HIS 263 N 1.49 -0.19 0.21 0.91 2.46 -1.26 -2.10 115.29 116.81 3kpr s HIS 263 Ca 0.06 0.23 -0.10 0.00 0.47 0.00 0.00 55.06 55.71 3kpr s HIS 263 Cb -0.14 0.12 0.19 0.00 -0.13 0.00 0.00 32.58 32.62 3kpr s HIS 263 CO -0.03 -0.45 1.84 1.49 -2.47 0.00 0.00 174.74 175.13 3kpr h GLU 264 N 3.56 0.81 -0.04 2.88 4.81 -1.90 -2.97 114.58 121.73 3kpr h GLU 264 Ca -0.30 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.80 3kpr h GLU 264 Cb 1.18 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 3kpr h GLU 264 CO 0.42 0.53 -0.36 0.78 -0.73 0.00 0.00 179.01 179.66 3kpr h GLY 265 N 0.83 0.08 -4.59 1.92 0.00 -1.82 -3.43 103.07 96.05 3kpr h GLY 265 Ca 0.28 -0.06 -0.55 0.00 0.00 0.00 0.00 47.33 47.00 3kpr h GLY 265 CO -0.11 0.06 0.41 1.08 0.00 0.00 0.00 176.54 177.98 3kpr s LEU 266 N -8.26 4.32 0.37 3.11 1.43 -1.12 -4.60 118.68 113.93 3kpr s LEU 266 Ca -0.03 1.56 0.04 0.00 -1.03 0.00 0.00 54.13 54.67 3kpr s LEU 266 Cb 0.14 -3.52 0.72 0.00 0.03 0.00 0.00 46.19 43.57 3kpr s LEU 266 CO 0.74 -0.31 2.02 -0.65 0.23 0.00 0.00 176.35 178.37 3kpr h PRO 267 N 6.91 0.73 -3.25 1.29 0.11 -1.85 -3.44 132.00 132.51 3kpr h PRO 267 Ca -0.37 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.55 3kpr h PRO 267 Cb 1.19 -0.17 -0.23 0.00 0.11 0.00 0.00 31.00 31.91 3kpr h PRO 267 CO 0.79 0.48 -0.41 -1.59 -0.21 0.00 0.00 178.00 177.06 3kpr s LYS 268 N -5.65 0.45 -0.27 1.05 -2.85 -1.26 -5.12 119.74 106.09 3kpr s LYS 268 Ca -0.09 -0.05 -0.39 0.00 -1.00 0.00 0.00 55.97 54.44 3kpr s LYS 268 Cb 0.18 0.20 -0.15 0.00 -2.06 0.00 0.00 37.83 36.00 3kpr s LYS 268 CO 0.76 -0.10 1.79 -2.30 0.10 0.00 0.00 175.35 175.60 3kpr n PRO 269 N 2.02 1.27 -2.49 1.78 -0.02 -1.26 -4.93 135.00 131.36 3kpr n PRO 269 Ca -0.18 0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 61.40 3kpr n PRO 269 Cb 0.57 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 3kpr n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kpr s LEU 270 N 3.87 3.97 -0.09 2.45 1.43 -0.73 -4.81 118.68 124.77 3kpr s LEU 270 Ca 0.99 2.03 0.02 0.00 -1.03 0.00 0.00 54.13 56.14 3kpr s LEU 270 Cb -1.02 -4.39 0.01 0.00 0.03 0.00 0.00 46.19 40.82 3kpr s LEU 270 CO 0.63 -0.72 -0.15 -0.89 0.23 0.00 0.00 176.35 175.46 3kpr s THR 271 N -1.80 1.40 -0.01 5.49 2.01 -1.26 -1.05 115.64 120.42 3kpr s THR 271 Ca 0.64 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 62.05 3kpr s THR 271 Cb -0.20 -1.27 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 3kpr s THR 271 CO 0.25 0.42 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.74 3kpr s LEU 272 N 0.75 1.99 0.47 4.42 1.02 -0.52 -4.93 118.68 121.89 3kpr s LEU 272 Ca -0.12 -0.18 0.02 0.00 0.02 0.00 0.00 54.13 53.87 3kpr s LEU 272 Cb -0.16 -0.51 -0.02 0.00 0.02 0.00 0.00 46.19 45.52 3kpr s LEU 272 CO 0.02 0.11 0.04 -0.13 0.02 0.00 0.00 176.35 176.42 3kpr s ARG 273 N -0.17 2.10 -0.11 1.70 0.52 -1.26 0.13 118.95 121.86 3kpr s ARG 273 Ca 0.03 -2.32 -0.30 0.00 -0.52 0.00 0.00 55.73 52.63 3kpr s ARG 273 Cb -0.04 -1.24 -0.02 0.00 0.52 0.00 0.00 34.95 34.16 3kpr s ARG 273 CO -0.00 -0.38 1.17 -0.46 0.02 0.00 0.00 175.30 175.65 3kpr s TRP 274 N -2.98 3.16 -0.30 -0.53 -0.11 -1.26 -4.65 118.94 112.28 3kpr s TRP 274 Ca 0.13 1.24 -0.23 0.00 1.22 0.00 0.00 56.10 58.46 3kpr s TRP 274 Cb 0.02 -3.39 -0.00 0.00 -1.50 0.00 0.00 33.47 28.60 3kpr s TRP 274 CO 0.07 -1.17 0.77 -1.21 -4.62 0.00 0.00 176.95 170.79 3kpr s GLU 275 N 2.61 3.97 0.00 5.86 0.41 -1.26 -4.76 118.70 125.53 3kpr s GLU 275 Ca 0.53 0.57 0.28 0.00 -0.41 0.00 0.00 54.97 55.94 3kpr s GLU 275 Cb -0.22 -3.72 1.69 0.00 -1.78 0.00 0.00 34.13 30.10 3kpr s GLU 275 CO 0.18 -0.65 2.03 -0.35 -0.49 0.00 0.00 175.26 175.97