#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 6.45 0.14 1.61 0.01 -1.26 -3.50 113.70 117.15 3kpr s SER 2 Ca 0.00 0.55 -0.01 0.00 1.31 0.00 0.00 55.95 57.80 3kpr s SER 2 Cb 0.00 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 3kpr s SER 2 CO 0.00 -0.02 0.05 -1.00 0.41 0.00 0.00 173.24 172.68 3kpr s HIS 3 N -1.80 0.94 0.01 2.43 3.76 -0.98 -5.00 115.29 114.64 3kpr s HIS 3 Ca 0.41 -1.22 -0.12 0.00 -0.15 0.00 0.00 55.06 53.98 3kpr s HIS 3 Cb -0.11 -0.52 0.01 0.00 1.11 0.00 0.00 32.58 33.07 3kpr s HIS 3 CO 0.27 -0.48 0.24 -1.54 -0.85 0.00 0.00 174.74 172.37 3kpr s SER 4 N -3.08 -0.07 -0.05 1.40 1.04 -1.26 -0.57 113.70 111.11 3kpr s SER 4 Ca 0.25 -0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.60 3kpr s SER 4 Cb 0.07 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 3kpr s SER 4 CO 0.03 -0.48 -0.20 -0.32 0.98 0.00 0.00 173.24 173.25 3kpr s MET 5 N -1.83 2.06 0.02 4.02 -2.45 -0.64 -0.25 119.30 120.23 3kpr s MET 5 Ca -0.11 -0.72 0.03 0.00 -1.25 0.00 0.00 55.69 53.64 3kpr s MET 5 Cb -0.04 -1.77 -0.02 0.00 1.25 0.00 0.00 34.83 34.25 3kpr s MET 5 CO 0.01 0.29 -0.08 1.03 1.05 0.00 0.00 175.02 177.32 3kpr s ARG 6 N -0.04 0.59 -0.09 4.11 1.81 -0.11 -1.35 118.95 123.87 3kpr s ARG 6 Ca -0.04 -0.52 0.04 0.00 -1.72 0.00 0.00 55.73 53.50 3kpr s ARG 6 Cb -0.12 -0.50 -0.00 0.00 -0.45 0.00 0.00 34.95 33.88 3kpr s ARG 6 CO 0.03 0.12 -0.24 0.71 -0.68 0.00 0.00 175.30 175.24 3kpr s TYR 7 N -0.73 2.50 -0.20 -0.53 2.02 0.39 -0.77 117.35 120.03 3kpr s TYR 7 Ca -0.02 -0.98 -0.03 0.00 -0.37 0.00 0.00 57.07 55.66 3kpr s TYR 7 Cb -0.06 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.82 3kpr s TYR 7 CO 0.00 -0.38 -0.07 -0.06 -1.57 0.00 0.00 175.55 173.47 3kpr s PHE 8 N 0.28 2.92 -0.14 2.71 0.40 0.52 -2.24 117.98 122.42 3kpr s PHE 8 Ca -0.17 -0.93 -0.05 0.00 -0.60 0.00 0.00 56.93 55.18 3kpr s PHE 8 Cb -0.17 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.28 3kpr s PHE 8 CO 0.08 -0.50 0.04 0.71 0.70 0.00 0.00 175.22 176.26 3kpr s TYR 9 N 1.24 3.25 -0.13 0.36 1.51 0.79 -1.83 117.35 122.54 3kpr s TYR 9 Ca 0.03 0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 56.21 3kpr s TYR 9 Cb -0.14 -1.96 0.04 0.00 -0.11 0.00 0.00 41.96 39.79 3kpr s TYR 9 CO -0.03 0.31 -0.02 0.99 -1.11 0.00 0.00 175.55 175.70 3kpr s THR 10 N -0.22 0.71 -0.20 -0.71 2.01 0.04 -2.00 115.64 115.28 3kpr s THR 10 Ca 0.07 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.75 3kpr s THR 10 Cb -0.12 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 3kpr s THR 10 CO 0.02 0.14 -0.08 0.00 -0.69 0.00 0.00 174.62 174.01 3kpr s ALA 11 N 1.81 2.73 -0.18 7.40 0.00 -0.21 -0.65 121.76 132.66 3kpr s ALA 11 Ca 0.03 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 3kpr s ALA 11 Cb -0.14 -1.55 0.04 0.00 0.00 0.00 0.00 23.12 21.48 3kpr s ALA 11 CO -0.07 -0.28 -0.06 1.41 0.00 0.00 0.00 175.76 176.76 3kpr s MET 12 N 1.21 1.56 0.35 0.00 1.75 -0.30 -0.95 119.30 122.93 3kpr s MET 12 Ca 0.02 -0.65 -0.22 0.00 -1.25 0.00 0.00 55.69 53.60 3kpr s MET 12 Cb -0.14 -2.18 -0.10 0.00 2.84 0.00 0.00 34.83 35.24 3kpr s MET 12 CO -0.03 -0.46 0.89 -1.54 -0.65 0.00 0.00 175.02 173.24 3kpr s SER 13 N 1.56 7.08 -0.42 1.11 1.04 -0.62 -0.67 113.70 122.77 3kpr s SER 13 Ca -0.01 1.66 0.04 0.00 0.48 0.00 0.00 55.95 58.12 3kpr s SER 13 Cb -0.16 -2.52 0.17 0.00 0.10 0.00 0.00 66.02 63.61 3kpr s SER 13 CO -0.08 -0.18 0.40 0.00 0.98 0.00 0.00 173.24 174.36 3kpr s ARG 14 N -2.59 0.89 0.09 4.02 1.70 -1.26 -3.87 118.95 117.93 3kpr s ARG 14 Ca 0.54 -1.81 -0.35 0.00 -0.47 0.00 0.00 55.73 53.64 3kpr s ARG 14 Cb -0.14 -1.13 -0.15 0.00 -0.57 0.00 0.00 34.95 32.97 3kpr s ARG 14 CO 0.18 -1.36 1.54 -2.30 -1.08 0.00 0.00 175.30 172.29 3kpr n PRO 15 N 3.01 1.77 0.00 3.89 -0.02 -1.26 -1.38 135.00 141.00 3kpr n PRO 15 Ca 0.26 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3kpr n PRO 15 Cb 0.49 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3kpr n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpr n GLY 16 N 3.26 2.01 2.19 -1.23 0.00 -1.26 -4.82 105.19 105.35 3kpr n GLY 16 Ca 0.18 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3kpr n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpr n ARG 17 N 0.00 2.21 0.00 1.61 1.74 -0.48 -5.01 116.66 116.72 3kpr n ARG 17 Ca 0.00 -2.28 0.00 0.00 -0.77 0.00 0.00 57.85 54.80 3kpr n ARG 17 Cb 0.00 -1.93 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 3kpr n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kpr n GLY 18 N 0.09 -1.08 3.92 -0.13 0.00 -1.24 -4.88 105.19 101.88 3kpr n GLY 18 Ca 0.44 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 3.15 0.45 1.61 -1.05 -1.26 -4.71 118.70 116.89 3kpr s GLU 19 Ca 0.00 -0.08 -0.25 0.00 -0.15 0.00 0.00 54.97 54.49 3kpr s GLU 19 Cb 0.00 -2.39 -0.09 0.00 -0.44 0.00 0.00 34.13 31.22 3kpr s GLU 19 CO 0.00 -0.43 1.27 -2.30 0.95 0.00 0.00 175.26 174.75 3kpr n PRO 20 N -2.34 1.86 -3.13 -4.83 -0.02 -1.26 -4.67 135.00 120.61 3kpr n PRO 20 Ca 0.02 0.66 -0.40 0.00 -2.02 0.00 0.00 63.50 61.77 3kpr n PRO 20 Cb 0.57 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 3kpr n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kpr s ARG 21 N -2.33 4.16 -0.20 -0.52 3.52 0.16 -4.89 118.95 118.84 3kpr s ARG 21 Ca 0.63 0.55 -0.05 0.00 -0.13 0.00 0.00 55.73 56.73 3kpr s ARG 21 Cb -0.49 -3.61 -0.02 0.00 -1.56 0.00 0.00 34.95 29.27 3kpr s ARG 21 CO 0.56 -0.32 0.00 0.12 -0.81 0.00 0.00 175.30 174.86 3kpr s PHE 22 N 2.18 3.04 0.00 5.12 5.36 -1.26 -1.15 117.98 131.27 3kpr s PHE 22 Ca 0.27 -0.48 0.07 0.00 -0.96 0.00 0.00 56.93 55.83 3kpr s PHE 22 Cb -0.16 -2.09 -0.02 0.00 -0.34 0.00 0.00 43.02 40.41 3kpr s PHE 22 CO 0.09 -0.26 -0.21 0.42 -1.46 0.00 0.00 175.22 173.80 3kpr s ILE 23 N 1.05 1.70 -0.02 3.12 1.01 0.17 -1.07 121.20 127.16 3kpr s ILE 23 Ca 0.02 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.69 3kpr s ILE 23 Cb -0.14 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.91 3kpr s ILE 23 CO 0.02 0.41 -0.06 -0.89 0.00 0.00 0.00 174.94 174.42 3kpr s THR 24 N -0.58 0.52 -0.00 2.92 2.01 0.37 -0.78 115.64 120.10 3kpr s THR 24 Ca 0.08 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 61.92 3kpr s THR 24 Cb -0.08 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 3kpr s THR 24 CO -0.00 0.18 -0.14 0.68 -0.69 0.00 0.00 174.62 174.65 3kpr s VAL 25 N 0.35 1.10 -0.08 3.82 -7.23 -0.76 -0.37 120.40 117.23 3kpr s VAL 25 Ca -0.04 -0.66 0.02 0.00 -1.81 0.00 0.00 61.98 59.48 3kpr s VAL 25 Cb -0.08 -0.93 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 3kpr s VAL 25 CO -0.00 0.26 -0.13 -0.83 -0.31 0.00 0.00 175.10 174.09 3kpr s GLY 26 N -0.47 1.56 -0.03 2.32 0.00 -0.26 -0.36 107.32 110.08 3kpr s GLY 26 Ca 0.05 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 43.88 3kpr s GLY 26 CO -0.00 -0.57 -0.18 -0.19 0.00 0.00 0.00 173.10 172.16 3kpr s TYR 27 N -0.41 1.69 -0.29 1.90 1.51 0.06 -1.61 117.35 120.21 3kpr s TYR 27 Ca 0.05 -0.42 -0.06 0.00 -1.01 0.00 0.00 57.07 55.63 3kpr s TYR 27 Cb -0.12 -1.12 0.01 0.00 -0.11 0.00 0.00 41.96 40.62 3kpr s TYR 27 CO 0.02 -0.11 0.07 0.08 -1.11 0.00 0.00 175.55 174.50 3kpr s VAL 28 N -0.16 3.89 0.00 0.71 1.01 -0.04 -0.93 120.40 124.87 3kpr s VAL 28 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3kpr s VAL 28 Cb -0.10 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3kpr s VAL 28 CO 0.01 0.12 0.00 0.47 0.00 0.00 0.00 175.10 175.69 3kpr n ASP 29 N 4.85 0.00 -0.63 3.32 8.00 0.65 -1.16 116.55 131.59 3kpr n ASP 29 Ca -0.15 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.42 3kpr n ASP 29 Cb 0.48 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.78 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 9.94 2.89 -4.28 -2.24 8.00 -1.26 -4.97 116.55 124.63 3kpr n ASP 30 Ca 0.00 -3.27 -0.35 0.00 0.71 0.00 0.00 54.79 51.89 3kpr n ASP 30 Cb 0.00 -0.52 -0.14 0.00 -0.02 0.00 0.00 41.12 40.44 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 -2.96 3.15 0.20 -3.53 2.01 -0.31 -4.97 115.64 109.23 3kpr s THR 31 Ca 0.39 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 3kpr s THR 31 Cb 0.34 -2.41 -0.08 0.00 0.01 0.00 0.00 72.50 70.35 3kpr s THR 31 CO 0.04 0.45 1.19 -0.22 -0.69 0.00 0.00 174.62 175.38 3kpr s LEU 32 N 1.38 4.46 0.00 4.42 2.96 -1.26 -0.86 118.68 129.78 3kpr s LEU 32 Ca 0.05 2.25 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 3kpr s LEU 32 Cb -0.14 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.94 3kpr s LEU 32 CO -0.04 -0.34 0.00 2.22 -1.32 0.00 0.00 176.35 176.87 3kpr n PHE 33 N 2.24 0.00 -3.80 5.38 -1.74 -0.63 -3.85 117.46 115.07 3kpr n PHE 33 Ca 0.03 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.80 3kpr n PHE 33 Cb 0.45 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.35 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 -0.88 0.06 0.06 1.97 0.11 -1.24 -0.00 120.40 120.48 3kpr s VAL 34 Ca 0.00 -0.52 -0.09 0.00 -2.93 0.00 0.00 61.98 58.44 3kpr s VAL 34 Cb 0.00 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 3kpr s VAL 34 CO 0.00 -0.29 0.20 0.00 -3.33 0.00 0.00 175.10 171.68 3kpr s ARG 35 N -1.25 0.77 -0.16 1.54 1.70 -0.83 -1.10 118.95 119.61 3kpr s ARG 35 Ca -0.13 -0.78 -0.11 0.00 -0.47 0.00 0.00 55.73 54.24 3kpr s ARG 35 Cb -0.06 0.31 0.05 0.00 -0.57 0.00 0.00 34.95 34.69 3kpr s ARG 35 CO 0.03 -0.23 0.41 0.12 -1.08 0.00 0.00 175.30 174.55 3kpr s PHE 36 N -3.17 -0.54 -0.06 5.89 2.19 0.50 -1.24 117.98 121.56 3kpr s PHE 36 Ca -0.00 1.22 0.01 0.00 0.33 0.00 0.00 56.93 58.48 3kpr s PHE 36 Cb 0.02 0.22 0.02 0.00 -1.31 0.00 0.00 43.02 41.97 3kpr s PHE 36 CO -0.07 -0.29 -0.06 0.34 1.83 0.00 0.00 175.22 176.97 3kpr s ASP 37 N 0.92 1.36 0.56 6.13 -1.08 -1.26 -0.48 116.67 122.82 3kpr s ASP 37 Ca -0.06 -0.18 0.34 0.00 -0.52 0.00 0.00 52.55 52.14 3kpr s ASP 37 Cb -0.06 -0.57 1.51 0.00 -1.46 0.00 0.00 42.92 42.34 3kpr s ASP 37 CO -0.07 -0.07 2.04 0.77 0.52 0.00 0.00 175.17 178.36 3kpr h SER 38 N 7.44 0.00 0.07 -0.34 4.64 -1.49 -2.87 113.55 121.00 3kpr h SER 38 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3kpr h SER 38 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3kpr h SER 38 CO 0.43 0.03 -0.08 0.47 -0.87 0.00 0.00 176.83 176.81 3kpr n ASP 39 N -3.15 1.30 -4.74 4.97 9.92 -1.26 -4.88 116.55 118.70 3kpr n ASP 39 Ca -0.00 -1.29 -0.35 0.00 -0.53 0.00 0.00 54.79 52.62 3kpr n ASP 39 Cb 0.27 0.04 0.05 0.00 -0.64 0.00 0.00 41.12 40.84 3kpr n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kpr s ALA 40 N -2.16 2.41 0.00 2.24 0.00 -1.09 -4.98 121.76 118.19 3kpr s ALA 40 Ca 0.34 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.26 3kpr s ALA 40 Cb 0.20 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3kpr s ALA 40 CO 0.39 -1.40 0.98 2.41 0.00 0.00 0.00 175.76 178.14 3kpr n THR 41 N -1.99 0.00 -3.58 0.00 -1.04 -1.26 -3.76 114.28 102.65 3kpr n THR 41 Ca 0.13 1.48 -0.40 0.00 -2.04 0.00 0.00 64.05 63.23 3kpr n THR 41 Cb 0.50 -2.35 -0.07 0.00 -1.82 0.00 0.00 70.33 66.59 3kpr n THR 41 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3kpr s SER 42 N -2.27 5.76 0.03 8.00 0.15 -1.26 -5.06 113.70 119.05 3kpr s SER 42 Ca 0.00 -2.77 -0.30 0.00 0.70 0.00 0.00 55.95 53.57 3kpr s SER 42 Cb 0.00 -1.98 -0.05 0.00 -1.71 0.00 0.00 66.02 62.28 3kpr s SER 42 CO 0.00 -0.45 1.20 -2.84 1.20 0.00 0.00 173.24 172.35 3kpr s PRO 43 N 0.05 4.41 0.25 5.44 0.02 -1.25 -5.02 135.00 138.91 3kpr s PRO 43 Ca 0.17 1.74 -0.16 0.00 0.02 0.00 0.00 61.00 62.78 3kpr s PRO 43 Cb -0.17 -3.41 0.01 0.00 0.02 0.00 0.00 34.50 30.94 3kpr s PRO 43 CO -0.05 -0.31 0.55 -0.98 -0.33 0.00 0.00 177.00 175.87 3kpr s ARG 44 N 1.41 1.58 0.03 5.54 1.70 -1.26 -5.00 118.95 122.95 3kpr s ARG 44 Ca 0.58 -1.12 -0.30 0.00 -0.47 0.00 0.00 55.73 54.41 3kpr s ARG 44 Cb -0.28 0.51 -0.07 0.00 -0.57 0.00 0.00 34.95 34.55 3kpr s ARG 44 CO 0.27 -0.68 1.46 0.15 -1.08 0.00 0.00 175.30 175.43 3kpr s LYS 45 N -3.97 4.26 0.07 3.89 -0.14 -1.26 -4.62 119.74 117.97 3kpr s LYS 45 Ca 0.17 2.07 0.08 0.00 -1.36 0.00 0.00 55.97 56.93 3kpr s LYS 45 Cb -0.02 -3.54 -0.04 0.00 -1.68 0.00 0.00 37.83 32.56 3kpr s LYS 45 CO 0.07 -0.60 -0.17 -1.21 -0.76 0.00 0.00 175.35 172.68 3kpr s GLU 46 N 2.29 2.00 0.45 1.68 2.02 -0.37 -4.93 118.70 121.84 3kpr s GLU 46 Ca 0.66 -1.04 -0.23 0.00 0.02 0.00 0.00 54.97 54.38 3kpr s GLU 46 Cb -0.34 -2.19 -0.08 0.00 0.10 0.00 0.00 34.13 31.63 3kpr s GLU 46 CO 0.28 0.52 1.17 -1.25 0.02 0.00 0.00 175.26 176.00 3kpr s PRO 47 N -1.74 3.81 0.00 0.39 0.04 -1.26 -1.96 135.00 134.28 3kpr s PRO 47 Ca 0.16 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3kpr s PRO 47 Cb -0.11 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.98 3kpr s PRO 47 CO 0.08 -0.52 0.24 0.54 0.04 0.00 0.00 177.00 177.38 3kpr n ARG 48 N -0.38 -0.06 -3.81 4.56 5.12 0.99 -4.87 116.66 118.21 3kpr n ARG 48 Ca 0.07 -0.27 -0.13 0.00 -1.93 0.00 0.00 57.85 55.59 3kpr n ARG 48 Cb 0.48 -0.64 -0.15 0.00 -1.16 0.00 0.00 32.46 30.99 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 -0.05 -0.04 0.50 7.54 0.00 -1.21 -4.57 121.76 123.92 3kpr s ALA 49 Ca 0.00 0.25 0.26 0.00 0.00 0.00 0.00 51.96 52.47 3kpr s ALA 49 Cb 0.00 -0.18 1.35 0.00 0.00 0.00 0.00 23.12 24.29 3kpr s ALA 49 CO 0.00 -0.07 1.90 -1.00 0.00 0.00 0.00 175.76 176.59 3kpr h PRO 50 N 6.71 0.12 0.00 0.00 0.13 -1.93 -2.12 132.00 134.90 3kpr h PRO 50 Ca -0.35 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3kpr h PRO 50 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3kpr h PRO 50 CO 0.48 0.08 0.00 0.11 -0.23 0.00 0.00 178.00 178.44 3kpr h TRP 51 N 0.12 0.00 0.00 1.56 5.08 -1.97 -2.91 115.95 117.83 3kpr h TRP 51 Ca 0.40 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.37 3kpr h TRP 51 Cb 1.41 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.57 3kpr h TRP 51 CO -0.00 0.00 -0.41 0.97 -1.28 0.00 0.00 178.44 177.72 3kpr h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.72 -3.28 117.51 118.72 3kpr h ILE 52 Ca 0.00 -0.81 -0.01 0.00 -1.37 0.00 0.00 64.86 62.67 3kpr h ILE 52 Cb 0.62 1.59 -0.00 0.00 0.47 0.00 0.00 36.82 39.49 3kpr h ILE 52 CO 0.00 0.00 -0.04 -0.33 -3.07 0.00 0.00 178.15 174.71 3kpr h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.62 -2.37 114.58 117.86 3kpr h GLU 53 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3kpr h GLU 53 Cb 0.91 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 3kpr h GLU 53 CO 0.00 0.04 -0.09 0.37 -1.00 0.00 0.00 179.01 178.32 3kpr h GLN 54 N 0.00 0.00 -6.89 2.33 4.15 -1.73 -3.44 115.11 109.53 3kpr h GLN 54 Ca -0.00 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.89 3kpr h GLN 54 Cb 0.26 0.00 0.09 0.00 0.21 0.00 0.00 27.48 28.04 3kpr h GLN 54 CO 0.00 0.09 0.77 -1.21 -1.93 0.00 0.00 178.83 176.56 3kpr s GLU 55 N -4.36 4.17 1.16 1.69 0.41 -0.89 -5.00 118.70 115.88 3kpr s GLU 55 Ca -0.04 2.48 -0.17 0.00 -0.41 0.00 0.00 54.97 56.83 3kpr s GLU 55 Cb 0.14 -3.01 0.27 0.00 -1.78 0.00 0.00 34.13 29.75 3kpr s GLU 55 CO 0.59 -0.47 1.09 0.20 -0.49 0.00 0.00 175.26 176.18 3kpr s GLY 56 N -0.07 1.56 0.42 -1.39 0.00 -1.26 -4.89 107.32 101.68 3kpr s GLY 56 Ca 0.54 -0.75 0.13 0.00 0.00 0.00 0.00 44.72 44.64 3kpr s GLY 56 CO 0.57 0.06 1.93 -0.56 0.00 0.00 0.00 173.10 175.10 3kpr h PRO 57 N -2.45 0.04 -0.42 2.90 0.13 -1.97 -2.78 132.00 127.45 3kpr h PRO 57 Ca -0.48 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 3kpr h PRO 57 Cb 1.31 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 3kpr h PRO 57 CO 0.41 0.27 0.11 0.93 -0.23 0.00 0.00 178.00 179.49 3kpr h GLU 58 N 0.04 0.62 0.62 0.86 3.07 -2.00 -2.95 114.58 114.83 3kpr h GLU 58 Ca 0.01 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.36 58.73 3kpr h GLU 58 Cb 0.43 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.24 3kpr h GLU 58 CO 0.03 0.56 -0.30 -0.92 -1.40 0.00 0.00 179.01 176.98 3kpr h TYR 59 N 0.60 -0.77 -0.41 4.33 3.20 -1.85 -2.65 116.97 119.43 3kpr h TYR 59 Ca 0.14 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 3kpr h TYR 59 Cb 0.21 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 3kpr h TYR 59 CO 0.01 -0.46 0.01 -1.49 -1.64 0.00 0.00 178.16 174.59 3kpr h TRP 60 N -0.88 0.69 -0.19 -3.82 4.06 -1.56 0.98 115.95 115.23 3kpr h TRP 60 Ca -0.08 -0.08 -0.04 0.00 2.06 0.00 0.00 58.89 60.75 3kpr h TRP 60 Cb 0.65 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.61 3kpr h TRP 60 CO -0.02 0.65 -0.02 -0.44 -3.56 0.00 0.00 178.44 175.05 3kpr h ASP 61 N 0.63 0.35 -0.46 -3.49 3.32 -1.58 -0.66 116.42 114.53 3kpr h ASP 61 Ca 0.13 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 3kpr h ASP 61 Cb 0.38 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3kpr h ASP 61 CO 0.01 0.60 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.03 3kpr h ARG 62 N 0.09 0.81 -0.57 3.56 2.43 -1.19 -0.37 114.38 119.14 3kpr h ARG 62 Ca 0.05 -0.26 0.05 0.00 -0.81 0.00 0.00 59.98 59.01 3kpr h ARG 62 Cb 0.43 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 3kpr h ARG 62 CO 0.01 0.87 0.29 0.93 -1.51 0.00 0.00 179.97 180.57 3kpr h GLU 63 N 0.66 0.54 -0.45 0.20 4.39 -0.81 -1.75 114.58 117.36 3kpr h GLU 63 Ca 0.13 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 3kpr h GLU 63 Cb 0.51 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3kpr h GLU 63 CO 0.02 0.35 0.10 1.15 -1.16 0.00 0.00 179.01 179.48 3kpr h THR 64 N 0.55 1.24 -0.67 1.13 2.02 -0.93 -2.75 112.91 113.50 3kpr h THR 64 Ca 0.26 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 3kpr h THR 64 Cb 0.17 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3kpr h THR 64 CO -0.18 0.29 0.28 -0.61 0.37 0.00 0.00 175.52 175.67 3kpr h GLN 65 N 0.59 1.00 -0.41 6.66 5.75 -0.79 0.41 115.11 128.32 3kpr h GLN 65 Ca 0.14 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 3kpr h GLN 65 Cb 0.33 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 3kpr h GLN 65 CO 0.00 0.82 0.18 0.82 -2.65 0.00 0.00 178.83 178.00 3kpr h ILE 66 N 0.95 0.93 -0.69 2.39 2.04 -1.30 0.30 117.51 122.13 3kpr h ILE 66 Ca 0.23 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 3kpr h ILE 66 Cb 0.19 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3kpr h ILE 66 CO -0.02 0.07 0.32 0.28 0.00 0.00 0.00 178.15 178.80 3kpr h SER 67 N 0.37 0.92 -0.35 1.72 0.02 -1.11 0.77 113.55 115.89 3kpr h SER 67 Ca 0.18 -0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 3kpr h SER 67 Cb 0.12 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3kpr h SER 67 CO -0.15 0.81 -0.25 0.11 -1.14 0.00 0.00 176.83 176.21 3kpr h LYS 68 N 0.97 0.85 -0.59 3.45 1.57 -0.65 -2.66 116.57 119.51 3kpr h LYS 68 Ca 0.24 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 3kpr h LYS 68 Cb 0.14 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3kpr h LYS 68 CO -0.03 1.00 0.03 1.15 -0.57 0.00 0.00 179.45 181.04 3kpr h THR 69 N 0.74 1.26 -0.95 -0.16 2.02 -0.71 -3.02 112.91 112.09 3kpr h THR 69 Ca 0.09 -1.10 0.08 0.00 0.77 0.00 0.00 66.41 66.26 3kpr h THR 69 Cb 0.79 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.93 3kpr h THR 69 CO 0.07 0.40 0.61 0.78 0.37 0.00 0.00 175.52 177.74 3kpr h ASN 70 N 0.92 0.92 -0.87 4.18 -0.26 -0.68 -0.18 115.58 119.61 3kpr h ASN 70 Ca 0.17 0.02 0.11 0.00 -0.56 0.00 0.00 56.30 56.05 3kpr h ASN 70 Cb 0.52 -0.17 -0.08 0.00 -1.06 0.00 0.00 38.32 37.52 3kpr h ASN 70 CO 0.02 0.55 0.50 0.74 -1.06 0.00 0.00 177.43 178.19 3kpr h THR 71 N 1.02 0.86 -0.17 2.81 2.02 -1.34 0.34 112.91 118.45 3kpr h THR 71 Ca 0.43 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 67.24 3kpr h THR 71 Cb 0.31 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3kpr h THR 71 CO -0.18 0.14 -0.29 -0.61 0.37 0.00 0.00 175.52 174.95 3kpr h GLN 72 N 0.79 0.50 -0.32 6.66 4.15 -1.33 -2.87 115.11 122.68 3kpr h GLN 72 Ca 0.44 -0.31 0.04 0.00 0.77 0.00 0.00 58.65 59.59 3kpr h GLN 72 Cb 0.47 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 3kpr h GLN 72 CO -0.28 0.91 0.11 1.15 -1.93 0.00 0.00 178.83 178.78 3kpr h THR 73 N 0.14 0.90 0.00 2.39 2.02 0.12 -2.42 112.91 116.06 3kpr h THR 73 Ca 0.01 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3kpr h THR 73 Cb 0.87 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3kpr h THR 73 CO 0.07 0.04 -0.12 -1.22 0.37 0.00 0.00 175.52 174.66 3kpr n TYR 74 N -5.03 0.71 -0.06 3.16 4.01 0.11 -1.94 117.16 118.11 3kpr n TYR 74 Ca 0.00 0.21 -0.10 0.00 -0.16 0.00 0.00 57.90 57.85 3kpr n TYR 74 Cb 0.12 -0.81 0.05 0.00 -0.31 0.00 0.00 39.34 38.38 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 0.75 -0.34 -0.72 2.43 -1.23 -2.53 114.38 112.74 3kpr h ARG 75 Ca 0.00 -0.38 -0.09 0.00 -0.81 0.00 0.00 59.98 58.70 3kpr h ARG 75 Cb 0.70 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3kpr h ARG 75 CO 0.00 1.01 -0.12 1.49 -1.51 0.00 0.00 179.97 180.83 3kpr h GLU 76 N 0.62 0.69 -0.13 0.20 4.81 -0.96 -2.99 114.58 116.81 3kpr h GLU 76 Ca 0.05 -0.28 0.04 0.00 -0.13 0.00 0.00 59.36 59.04 3kpr h GLU 76 Cb 0.93 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 3kpr h GLU 76 CO 0.09 0.87 -0.11 -0.91 -0.73 0.00 0.00 179.01 178.21 3kpr h ASN 77 N 0.47 -0.35 -0.74 1.04 -0.26 -1.39 -0.75 115.58 113.60 3kpr h ASN 77 Ca 0.08 0.07 0.05 0.00 -0.56 0.00 0.00 56.30 55.95 3kpr h ASN 77 Cb 0.64 0.18 -0.05 0.00 -1.06 0.00 0.00 38.32 38.02 3kpr h ASN 77 CO 0.04 -0.15 0.44 -0.07 -1.06 0.00 0.00 177.43 176.63 3kpr h LEU 78 N -0.13 0.69 -0.39 1.61 3.38 -1.49 0.17 115.31 119.15 3kpr h LEU 78 Ca 0.09 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3kpr h LEU 78 Cb 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3kpr h LEU 78 CO -0.21 0.45 -0.05 0.03 0.09 0.00 0.00 178.44 178.75 3kpr h ARG 79 N 0.83 0.73 -0.63 1.13 2.47 -1.35 -2.32 114.38 115.24 3kpr h ARG 79 Ca 0.32 -0.26 -0.06 0.00 -1.26 0.00 0.00 59.98 58.72 3kpr h ARG 79 Cb 0.14 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.38 3kpr h ARG 79 CO -0.16 0.85 0.16 1.15 0.56 0.00 0.00 179.97 182.53 3kpr h THR 80 N 0.54 1.25 -0.81 2.04 2.02 -0.78 -2.61 112.91 114.56 3kpr h THR 80 Ca 0.10 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 3kpr h THR 80 Cb 0.55 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 3kpr h THR 80 CO 0.03 0.34 0.46 0.00 0.37 0.00 0.00 175.52 176.72 3kpr h ALA 81 N 1.23 1.04 -0.26 6.16 0.00 -0.56 -1.96 119.26 124.90 3kpr h ALA 81 Ca 0.20 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kpr h ALA 81 Cb 0.32 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3kpr h ALA 81 CO -0.00 0.53 -0.00 -0.07 0.00 0.00 0.00 179.25 179.71 3kpr h LEU 82 N 1.12 -0.11 -0.90 0.00 3.38 -1.03 -2.08 115.31 115.69 3kpr h LEU 82 Ca 0.29 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.23 3kpr h LEU 82 Cb 0.01 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3kpr h LEU 82 CO -0.05 -0.02 -0.08 0.03 0.09 0.00 0.00 178.44 178.40 3kpr h ARG 83 N 0.07 0.72 0.00 1.13 3.08 -1.40 0.11 114.38 118.10 3kpr h ARG 83 Ca 0.12 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3kpr h ARG 83 Cb 0.16 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3kpr h ARG 83 CO -0.21 0.79 -0.06 1.88 -1.07 0.00 0.00 179.97 181.29 3kpr h TYR 84 N 0.66 0.00 -0.00 3.04 -1.99 -0.85 -3.01 116.97 114.82 3kpr h TYR 84 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 3kpr h TYR 84 Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 3kpr h TYR 84 CO 0.03 0.06 -0.04 0.66 -0.00 0.00 0.00 178.16 178.87 3kpr n TYR 85 N -3.44 0.00 -3.42 4.88 4.01 -0.83 -4.77 117.16 113.59 3kpr n TYR 85 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 3kpr n TYR 85 Cb 0.20 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.31 3kpr n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3kpr n ASN 86 N -0.13 -2.65 -4.76 7.72 3.02 0.24 -5.04 115.26 113.66 3kpr n ASN 86 Ca 0.02 -0.64 -0.26 0.00 -0.03 0.00 0.00 54.58 53.67 3kpr n ASN 86 Cb 0.09 -5.09 -0.06 0.00 -0.61 0.00 0.00 39.78 34.10 3kpr n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kpr s GLN 87 N -5.25 2.73 0.57 3.52 -0.21 -0.40 -5.03 119.66 115.58 3kpr s GLN 87 Ca 0.07 -0.98 -0.15 0.00 0.02 0.00 0.00 55.36 54.32 3kpr s GLN 87 Cb -0.01 -2.53 -0.06 0.00 1.00 0.00 0.00 33.01 31.41 3kpr s GLN 87 CO 0.74 0.46 1.01 -1.54 -2.12 0.00 0.00 175.29 173.84 3kpr s SER 88 N -3.15 6.32 0.00 5.90 1.04 -1.26 -4.69 113.70 117.85 3kpr s SER 88 Ca 0.30 1.57 0.06 0.00 0.48 0.00 0.00 55.95 58.36 3kpr s SER 88 Cb -0.09 -2.50 0.34 0.00 0.10 0.00 0.00 66.02 63.86 3kpr s SER 88 CO 0.22 -0.80 1.22 -0.62 0.98 0.00 0.00 173.24 174.24 3kpr n GLU 89 N -2.06 1.06 -0.00 4.02 1.02 -1.26 -3.25 120.64 120.16 3kpr n GLU 89 Ca 0.07 -0.09 0.09 0.00 -0.02 0.00 0.00 57.16 57.21 3kpr n GLU 89 Cb 0.54 -1.10 -0.12 0.00 -0.02 0.00 0.00 31.44 30.74 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 -0.51 3.90 -2.01 0.62 0.00 -1.26 -4.76 120.51 116.49 3kpr n ALA 90 Ca 0.05 -0.51 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 3kpr n ALA 90 Cb 0.04 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 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 -3.25 2.53 -0.14 0.00 0.00 -1.20 -4.69 107.32 100.57 3kpr s GLY 91 Ca 0.03 0.23 -0.20 0.00 0.00 0.00 0.00 44.72 44.77 3kpr s GLY 91 CO 0.79 0.55 0.58 -0.56 0.00 0.00 0.00 173.10 174.45 3kpr s SER 92 N -1.91 6.73 0.12 1.64 0.01 -1.26 -4.66 113.70 114.37 3kpr s SER 92 Ca 0.50 0.88 0.05 0.00 1.31 0.00 0.00 55.95 58.70 3kpr s SER 92 Cb -0.14 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 3kpr s SER 92 CO 0.19 -0.14 -0.12 -1.00 0.41 0.00 0.00 173.24 172.58 3kpr s HIS 93 N 1.21 1.28 -0.03 2.43 3.76 -1.25 -4.97 115.29 117.72 3kpr s HIS 93 Ca 0.29 -0.60 0.07 0.00 -0.15 0.00 0.00 55.06 54.67 3kpr s HIS 93 Cb -0.16 -0.67 -0.02 0.00 1.11 0.00 0.00 32.58 32.84 3kpr s HIS 93 CO 0.12 0.09 -0.24 0.42 -0.85 0.00 0.00 174.74 174.28 3kpr s ILE 94 N -2.30 2.22 -0.09 0.60 1.09 -1.26 -1.60 121.20 119.86 3kpr s ILE 94 Ca 0.08 -1.04 0.04 0.00 -1.10 0.00 0.00 60.65 58.63 3kpr s ILE 94 Cb -0.04 -1.79 -0.00 0.00 -1.06 0.00 0.00 42.46 39.57 3kpr s ILE 94 CO 0.02 0.58 -0.23 -0.63 -0.10 0.00 0.00 174.94 174.58 3kpr s ILE 95 N -0.55 1.96 0.07 2.92 1.01 -0.12 -0.50 121.20 126.00 3kpr s ILE 95 Ca 0.08 -0.98 0.10 0.00 0.00 0.00 0.00 60.65 59.85 3kpr s ILE 95 Cb -0.11 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 3kpr s ILE 95 CO 0.00 0.54 -0.25 -1.10 0.00 0.00 0.00 174.94 174.13 3kpr s GLN 96 N 0.25 1.71 -0.03 2.79 -0.21 0.22 -1.04 119.66 123.35 3kpr s GLN 96 Ca -0.15 -1.17 -0.00 0.00 0.02 0.00 0.00 55.36 54.06 3kpr s GLN 96 Cb -0.17 -1.98 0.03 0.00 1.00 0.00 0.00 33.01 31.89 3kpr s GLN 96 CO 0.07 0.50 0.01 0.50 -2.12 0.00 0.00 175.29 174.25 3kpr s ARG 97 N -1.54 0.19 -0.15 2.91 3.52 -0.85 -1.04 118.95 121.99 3kpr s ARG 97 Ca 0.13 0.14 0.01 0.00 -0.13 0.00 0.00 55.73 55.88 3kpr s ARG 97 Cb -0.10 -0.46 0.01 0.00 -1.56 0.00 0.00 34.95 32.84 3kpr s ARG 97 CO 0.04 -0.18 -0.19 0.00 -0.81 0.00 0.00 175.30 174.17 3kpr s MET 98 N 1.23 3.10 0.00 5.12 0.23 -0.46 -0.15 119.30 128.37 3kpr s MET 98 Ca -0.07 -0.80 -0.03 0.00 -1.03 0.00 0.00 55.69 53.76 3kpr s MET 98 Cb -0.13 -2.54 -0.01 0.00 -1.53 0.00 0.00 34.83 30.62 3kpr s MET 98 CO -0.02 -0.03 0.04 1.52 -2.03 0.00 0.00 175.02 174.49 3kpr s TYR 99 N 0.90 0.11 -2.58 3.16 1.13 -0.95 -0.67 117.35 118.45 3kpr s TYR 99 Ca -0.04 -0.23 0.00 0.00 -1.41 0.00 0.00 57.07 55.38 3kpr s TYR 99 Cb -0.15 -0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.62 3kpr s TYR 99 CO -0.03 -0.17 0.00 0.41 -2.51 0.00 0.00 175.55 173.25 3kpr n GLY 100 N 1.96 -0.92 3.10 5.49 0.00 -1.12 -0.46 105.19 113.25 3kpr n GLY 100 Ca -0.20 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.69 3.85 0.17 0.00 1.01 -0.70 -1.61 116.67 116.69 3kpr s ASP 102 Ca 0.05 -0.31 0.09 0.00 0.71 0.00 0.00 52.55 53.08 3kpr s ASP 102 Cb 0.03 -1.21 -0.04 0.00 1.01 0.00 0.00 42.92 42.71 3kpr s ASP 102 CO -0.06 0.24 -0.13 0.68 0.21 0.00 0.00 175.17 176.11 3kpr s VAL 103 N -0.12 3.00 0.49 -1.27 -7.23 0.27 0.62 120.40 116.17 3kpr s VAL 103 Ca -0.02 -1.67 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 3kpr s VAL 103 Cb -0.14 -2.46 0.10 0.00 0.56 0.00 0.00 36.38 34.44 3kpr s VAL 103 CO 0.04 -0.07 0.68 0.61 -0.31 0.00 0.00 175.10 176.05 3kpr n GLY 104 N 0.24 0.94 0.38 2.32 0.00 -0.27 -2.32 105.19 106.48 3kpr n GLY 104 Ca -0.12 -2.05 0.16 0.00 0.00 0.00 0.00 46.02 44.01 3kpr n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kpr h PRO 105 N 0.00 0.57 -0.00 1.61 0.11 -1.90 -0.16 132.00 132.23 3kpr h PRO 105 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3kpr h PRO 105 Cb 0.87 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3kpr h PRO 105 CO 0.26 0.37 -0.05 -0.40 -0.21 0.00 0.00 178.00 177.97 3kpr n ASP 106 N -4.59 0.10 0.00 -2.05 5.75 -1.26 -4.91 116.55 109.59 3kpr n ASP 106 Ca 0.20 0.08 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 3kpr n ASP 106 Cb 0.60 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 3kpr n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kpr n GLY 107 N 1.40 0.69 3.84 6.12 0.00 -0.07 -5.07 105.19 112.10 3kpr n GLY 107 Ca 0.10 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.86 4.06 -0.10 1.61 3.52 -1.26 -4.78 118.95 121.14 3kpr s ARG 108 Ca 0.00 0.73 -0.29 0.00 -0.13 0.00 0.00 55.73 56.04 3kpr s ARG 108 Cb 0.00 -2.48 -0.05 0.00 -1.56 0.00 0.00 34.95 30.86 3kpr s ARG 108 CO 0.00 0.18 1.66 -1.17 -0.81 0.00 0.00 175.30 175.16 3kpr s LEU 109 N -2.84 4.20 -0.08 -0.88 2.96 -1.26 -1.12 118.68 119.66 3kpr s LEU 109 Ca 0.53 2.09 -0.01 0.00 -0.22 0.00 0.00 54.13 56.52 3kpr s LEU 109 Cb -0.11 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 3kpr s LEU 109 CO 0.18 -1.03 0.06 -0.07 -1.32 0.00 0.00 176.35 174.17 3kpr h LEU 110 N 10.68 -0.04 -7.39 -0.68 4.07 -0.13 -3.47 115.31 118.34 3kpr h LEU 110 Ca -0.38 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.53 3kpr h LEU 110 Cb 1.17 0.01 -0.13 0.00 1.08 0.00 0.00 40.66 42.79 3kpr h LEU 110 CO 0.96 0.40 -0.07 0.00 -1.08 0.00 0.00 178.44 178.65 3kpr s ARG 111 N -1.67 1.06 0.20 1.13 1.70 -1.24 -5.01 118.95 115.12 3kpr s ARG 111 Ca -0.01 -0.69 0.09 0.00 -0.47 0.00 0.00 55.73 54.66 3kpr s ARG 111 Cb 0.00 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 3kpr s ARG 111 CO 0.02 -0.41 -0.09 0.20 -1.08 0.00 0.00 175.30 173.94 3kpr s GLY 112 N -2.75 1.72 0.04 3.88 0.00 -1.26 -1.73 107.32 107.22 3kpr s GLY 112 Ca 0.02 -1.53 0.04 0.00 0.00 0.00 0.00 44.72 43.25 3kpr s GLY 112 CO -0.11 -1.56 -0.12 -0.19 0.00 0.00 0.00 173.10 171.11 3kpr s TYR 113 N -1.85 1.08 -0.35 1.90 1.51 -0.47 -4.77 117.35 114.41 3kpr s TYR 113 Ca 0.26 -0.36 0.07 0.00 -1.01 0.00 0.00 57.07 56.03 3kpr s TYR 113 Cb -0.08 -0.64 0.19 0.00 -0.11 0.00 0.00 41.96 41.31 3kpr s TYR 113 CO 0.16 0.02 0.59 0.34 -1.11 0.00 0.00 175.55 175.55 3kpr s ASP 114 N -1.15 -1.42 -0.01 2.29 -1.08 -1.25 -2.78 116.67 111.26 3kpr s ASP 114 Ca -0.00 -0.32 0.07 0.00 -0.52 0.00 0.00 52.55 51.78 3kpr s ASP 114 Cb -0.08 1.92 -0.02 0.00 -1.46 0.00 0.00 42.92 43.28 3kpr s ASP 114 CO 0.01 -0.24 -0.22 -1.10 0.52 0.00 0.00 175.17 174.14 3kpr s GLN 115 N 2.34 2.18 -0.01 4.34 -0.21 0.15 -0.90 119.66 127.54 3kpr s GLN 115 Ca 0.13 -0.89 0.08 0.00 0.02 0.00 0.00 55.36 54.69 3kpr s GLN 115 Cb -0.08 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.77 3kpr s GLN 115 CO -0.17 0.57 -0.24 0.71 -2.12 0.00 0.00 175.29 174.04 3kpr s TYR 116 N -0.70 2.15 0.01 0.91 1.51 0.10 -1.36 117.35 119.97 3kpr s TYR 116 Ca 0.11 -0.41 0.06 0.00 -1.01 0.00 0.00 57.07 55.82 3kpr s TYR 116 Cb -0.10 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 3kpr s TYR 116 CO 0.00 -0.02 -0.18 0.00 -1.11 0.00 0.00 175.55 174.24 3kpr s ALA 117 N -0.59 1.51 -0.16 3.71 0.00 -0.21 -0.47 121.76 125.54 3kpr s ALA 117 Ca 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3kpr s ALA 117 Cb -0.09 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3kpr s ALA 117 CO -0.01 0.35 -0.16 -0.47 0.00 0.00 0.00 175.76 175.48 3kpr s TYR 118 N -0.58 2.78 -1.25 0.00 5.04 0.13 -0.61 117.35 122.87 3kpr s TYR 118 Ca 0.06 -1.12 -0.08 0.00 -2.44 0.00 0.00 57.07 53.50 3kpr s TYR 118 Cb -0.07 -1.90 0.06 0.00 0.35 0.00 0.00 41.96 40.40 3kpr s TYR 118 CO 0.00 -0.52 0.43 -0.25 -1.34 0.00 0.00 175.55 173.87 3kpr n ASP 119 N 4.16 -3.79 0.00 4.32 8.00 0.35 -1.79 116.55 127.80 3kpr n ASP 119 Ca -0.19 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.00 3kpr n ASP 119 Cb 0.51 -3.14 0.00 0.00 -0.02 0.00 0.00 41.12 38.47 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 -1.14 1.16 3.71 0.44 0.00 -1.26 -5.02 105.19 103.08 3kpr n GLY 120 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.41 2.95 0.12 1.61 1.02 -0.74 -5.05 119.74 119.25 3kpr s LYS 121 Ca 0.00 -0.47 -0.35 0.00 0.02 0.00 0.00 55.97 55.17 3kpr s LYS 121 Cb 0.00 -2.78 -0.17 0.00 -0.52 0.00 0.00 37.83 34.36 3kpr s LYS 121 CO 0.00 0.67 1.12 -0.25 -0.92 0.00 0.00 175.35 175.97 3kpr n ASP 122 N 1.74 0.89 0.00 2.83 8.00 -1.26 -0.69 116.55 128.05 3kpr n ASP 122 Ca -0.16 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.48 3kpr n ASP 122 Cb 0.53 -1.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 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 1.58 0.00 -4.00 1.24 9.36 0.38 -4.63 117.16 121.08 3kpr n TYR 123 Ca 0.17 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.26 3kpr n TYR 123 Cb 0.20 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 38.77 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 -0.65 0.21 -0.00 2.97 2.07 -1.18 -1.19 121.20 123.43 3kpr s ILE 124 Ca 0.00 -0.27 0.01 0.00 -1.41 0.00 0.00 60.65 58.98 3kpr s ILE 124 Cb 0.00 -0.21 -0.01 0.00 0.13 0.00 0.00 42.46 42.37 3kpr s ILE 124 CO 0.00 -0.04 -0.05 0.00 -1.91 0.00 0.00 174.94 172.94 3kpr s ALA 125 N -0.32 0.40 -0.03 1.50 0.00 -0.60 0.03 121.76 122.75 3kpr s ALA 125 Ca -0.02 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 3kpr s ALA 125 Cb -0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 3kpr s ALA 125 CO -0.00 0.09 1.18 -1.17 0.00 0.00 0.00 175.76 175.86 3kpr s LEU 126 N -0.23 4.31 0.76 0.00 2.96 -0.08 -0.59 118.68 125.81 3kpr s LEU 126 Ca 0.01 1.85 -0.12 0.00 -0.22 0.00 0.00 54.13 55.64 3kpr s LEU 126 Cb -0.02 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.15 3kpr s LEU 126 CO -0.00 -0.53 1.12 0.20 -1.32 0.00 0.00 176.35 175.82 3kpr s ASN 127 N 1.34 4.39 0.59 3.68 0.01 -0.38 -4.60 114.94 119.98 3kpr s ASN 127 Ca 0.56 2.00 0.32 0.00 -0.71 0.00 0.00 52.86 55.03 3kpr s ASN 127 Cb -0.25 -2.55 1.87 0.00 0.41 0.00 0.00 41.25 40.73 3kpr s ASN 127 CO 0.24 -2.12 2.25 -0.08 -1.51 0.00 0.00 177.10 175.89 3kpr h GLU 128 N -0.81 0.00 0.00 -0.60 4.81 -1.89 0.02 114.58 116.11 3kpr h GLU 128 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3kpr h GLU 128 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3kpr h GLU 128 CO 0.50 0.01 0.00 -0.40 -0.73 0.00 0.00 179.01 178.40 3kpr n ASP 129 N -3.71 0.60 -3.04 1.04 5.75 -1.26 -4.77 116.55 111.16 3kpr n ASP 129 Ca -0.03 0.67 -0.22 0.00 -0.01 0.00 0.00 54.79 55.19 3kpr n ASP 129 Cb 0.10 -0.79 0.03 0.00 -1.03 0.00 0.00 41.12 39.43 3kpr n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3kpr n LEU 130 N -2.18 -2.57 0.00 -2.12 4.77 -0.01 -4.79 117.00 110.10 3kpr n LEU 130 Ca 0.02 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3kpr n LEU 130 Cb 0.19 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.38 3kpr n LEU 130 CO 0.18 0.22 0.00 -1.20 -1.33 0.00 0.00 177.39 175.25 3kpr n SER 131 N -2.50 0.00 -4.35 -1.43 7.64 -1.26 -4.52 113.62 107.21 3kpr n SER 131 Ca -0.11 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.60 3kpr n SER 131 Cb 0.62 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.39 1.67 0.06 6.43 1.04 -1.26 -4.84 113.70 116.40 3kpr s SER 132 Ca 0.00 -1.31 0.09 0.00 0.48 0.00 0.00 55.95 55.20 3kpr s SER 132 Cb 0.00 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 3kpr s SER 132 CO 0.00 -0.62 -0.24 0.26 0.98 0.00 0.00 173.24 173.63 3kpr s TRP 133 N -3.53 2.06 -0.31 5.02 0.52 -1.26 -1.24 118.94 120.19 3kpr s TRP 133 Ca 0.33 -0.39 -0.06 0.00 0.02 0.00 0.00 56.10 56.00 3kpr s TRP 133 Cb 0.07 -1.21 0.02 0.00 -1.15 0.00 0.00 33.47 31.20 3kpr s TRP 133 CO 0.12 0.14 0.09 0.99 0.02 0.00 0.00 176.95 178.30 3kpr s THR 134 N -0.85 3.85 -0.00 2.01 2.01 0.24 -4.91 115.64 117.99 3kpr s THR 134 Ca 0.10 -0.89 -0.19 0.00 0.31 0.00 0.00 61.69 61.01 3kpr s THR 134 Cb -0.09 -3.07 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 3kpr s THR 134 CO 0.02 -0.03 0.55 0.00 -0.69 0.00 0.00 174.62 174.47 3kpr s ALA 135 N 1.45 3.54 -0.70 7.40 0.00 -1.26 -1.56 121.76 130.63 3kpr s ALA 135 Ca 0.01 -0.03 0.25 0.00 0.00 0.00 0.00 51.96 52.18 3kpr s ALA 135 Cb -0.18 -2.66 0.57 0.00 0.00 0.00 0.00 23.12 20.86 3kpr s ALA 135 CO 0.02 0.24 1.54 0.00 0.00 0.00 0.00 175.76 177.56 3kpr n ALA 136 N 2.51 2.65 -3.58 0.00 0.00 -0.33 -4.96 120.51 116.80 3kpr n ALA 136 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3kpr n ALA 136 Cb 0.51 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.68 3kpr n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kpr n ASP 137 N -2.15 -1.58 0.11 0.00 5.68 -1.26 -5.05 116.55 112.30 3kpr n ASP 137 Ca 0.04 -2.06 -0.03 0.00 -0.50 0.00 0.00 54.79 52.25 3kpr n ASP 137 Cb 0.43 2.62 0.16 0.00 -1.14 0.00 0.00 41.12 43.19 3kpr n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3kpr h THR 138 N 1.71 1.39 -0.48 2.12 1.35 -1.98 -2.30 112.91 114.71 3kpr h THR 138 Ca -0.23 -1.92 -0.02 0.00 -0.55 0.00 0.00 66.41 63.69 3kpr h THR 138 Cb 0.88 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 69.26 3kpr h THR 138 CO 0.30 0.56 0.24 0.00 -0.25 0.00 0.00 175.52 176.37 3kpr h ALA 139 N 1.29 0.62 0.00 6.62 0.00 -1.97 -2.49 119.26 123.33 3kpr h ALA 139 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kpr h ALA 139 Cb 1.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kpr h ALA 139 CO 0.08 0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.49 3kpr h ALA 140 N 1.08 1.00 -0.05 0.00 0.00 -1.83 -2.86 119.26 116.60 3kpr h ALA 140 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3kpr h ALA 140 Cb 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kpr h ALA 140 CO -0.02 0.03 -0.27 1.96 0.00 0.00 0.00 179.25 180.94 3kpr h GLN 141 N 0.00 0.09 -0.35 0.00 4.20 -0.94 -1.29 115.11 116.81 3kpr h GLN 141 Ca -0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3kpr h GLN 141 Cb 0.60 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3kpr h GLN 141 CO 0.00 0.36 0.16 0.82 -0.67 0.00 0.00 178.83 179.50 3kpr h ILE 142 N 0.08 1.17 -0.86 2.54 2.04 -1.44 -1.07 117.51 119.97 3kpr h ILE 142 Ca 0.01 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3kpr h ILE 142 Cb 0.53 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3kpr h ILE 142 CO 0.04 0.18 0.56 0.74 0.00 0.00 0.00 178.15 179.66 3kpr h THR 143 N 0.43 1.23 -0.70 -0.27 2.02 -1.58 -2.26 112.91 111.79 3kpr h THR 143 Ca 0.12 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3kpr h THR 143 Cb 0.13 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 3kpr h THR 143 CO -0.01 0.22 0.40 -0.61 0.37 0.00 0.00 175.52 175.89 3kpr h GLN 144 N 1.17 0.96 -0.44 6.66 4.15 -0.76 0.17 115.11 127.02 3kpr h GLN 144 Ca 0.31 -0.10 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 3kpr h GLN 144 Cb -0.11 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.37 3kpr h GLN 144 CO -0.07 0.70 -0.09 0.00 -1.93 0.00 0.00 178.83 177.45 3kpr h ARG 145 N 0.95 0.83 -0.40 1.69 3.08 -1.06 -0.16 114.38 119.32 3kpr h ARG 145 Ca 0.25 -0.31 0.06 0.00 0.07 0.00 0.00 59.98 60.05 3kpr h ARG 145 Cb 0.00 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 3kpr h ARG 145 CO -0.04 0.94 0.10 0.87 -1.07 0.00 0.00 179.97 180.76 3kpr h LYS 146 N 0.66 0.23 0.00 0.04 1.57 -1.02 -2.46 116.57 115.59 3kpr h LYS 146 Ca 0.11 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 3kpr h LYS 146 Cb 0.62 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3kpr h LYS 146 CO 0.04 0.15 -0.50 -1.49 -0.57 0.00 0.00 179.45 177.08 3kpr h TRP 147 N 0.23 0.00 -0.04 -1.35 4.06 -0.45 -1.97 115.95 116.44 3kpr h TRP 147 Ca 0.19 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.91 3kpr h TRP 147 Cb 0.21 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.38 3kpr h TRP 147 CO -0.18 0.50 -0.91 0.93 -3.56 0.00 0.00 178.44 175.21 3kpr h GLU 148 N 0.00 0.58 -0.13 0.49 5.08 -0.94 -1.66 114.58 117.99 3kpr h GLU 148 Ca -0.00 -0.57 -0.16 0.00 -1.00 0.00 0.00 59.36 57.63 3kpr h GLU 148 Cb 1.17 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 3kpr h GLU 148 CO 0.06 1.19 -0.58 0.00 -1.00 0.00 0.00 179.01 178.68 3kpr h ALA 149 N 0.63 0.75 -0.01 3.43 0.00 -1.38 -3.18 119.26 119.50 3kpr h ALA 149 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3kpr h ALA 149 Cb 1.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3kpr h ALA 149 CO 0.17 0.70 -0.09 0.00 0.00 0.00 0.00 179.25 180.03 3kpr n ALA 150 N -2.50 2.75 -3.43 0.00 0.00 -0.75 -4.95 120.51 111.64 3kpr n ALA 150 Ca -0.03 -0.30 -0.18 0.00 0.00 0.00 0.00 53.44 52.93 3kpr n ALA 150 Cb 0.62 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.75 -6.73 -0.08 0.00 1.74 -1.00 -4.94 116.66 104.91 3kpr n ARG 151 Ca 0.16 0.83 -0.12 0.00 -0.77 0.00 0.00 57.85 57.95 3kpr n ARG 151 Cb 0.28 -5.79 -0.05 0.00 -1.02 0.00 0.00 32.46 25.87 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 -2.01 1.29 -0.68 1.55 2.07 -1.61 -3.20 116.25 113.67 3kpr h VAL 152 Ca -0.57 -1.09 0.15 0.00 0.82 0.00 0.00 66.70 66.00 3kpr h VAL 152 Cb 1.34 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 3kpr h VAL 152 CO 0.50 0.34 0.46 0.00 0.02 0.00 0.00 177.57 178.89 3kpr h ALA 153 N 0.74 2.21 -0.34 1.67 0.00 -1.88 -0.81 119.26 120.84 3kpr h ALA 153 Ca 0.05 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3kpr h ALA 153 Cb 0.54 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3kpr h ALA 153 CO 0.03 -0.39 -0.05 0.93 0.00 0.00 0.00 179.25 179.76 3kpr h GLU 154 N 0.30 0.03 -0.41 0.00 5.08 -1.82 0.75 114.58 118.52 3kpr h GLU 154 Ca 0.33 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.71 3kpr h GLU 154 Cb 0.87 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 3kpr h GLU 154 CO -0.08 0.02 0.23 0.37 -1.00 0.00 0.00 179.01 178.55 3kpr h GLN 155 N 0.03 0.44 0.20 2.33 4.15 -1.29 0.62 115.11 121.60 3kpr h GLN 155 Ca 0.16 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.57 3kpr h GLN 155 Cb 0.24 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 3kpr h GLN 155 CO -0.32 0.29 -0.34 -0.44 -1.93 0.00 0.00 178.83 176.09 3kpr h ASP 156 N 0.46 -0.96 -0.90 -0.69 3.32 -1.16 -1.41 116.42 115.08 3kpr h ASP 156 Ca 0.17 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.37 3kpr h ASP 156 Cb 0.04 0.35 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 3kpr h ASP 156 CO -0.10 -0.44 0.57 -0.09 -1.72 0.00 0.00 179.24 177.46 3kpr h ARG 157 N -0.61 1.04 -0.71 3.56 2.43 -0.68 -0.48 114.38 118.93 3kpr h ARG 157 Ca 0.01 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3kpr h ARG 157 Cb 0.61 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3kpr h ARG 157 CO -0.15 0.69 0.40 0.00 -1.51 0.00 0.00 179.97 179.40 3kpr h ALA 158 N 1.39 0.91 -0.09 2.80 0.00 -0.59 -1.79 119.26 121.89 3kpr h ALA 158 Ca 0.37 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3kpr h ALA 158 Cb 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3kpr h ALA 158 CO -0.15 0.42 -0.08 -0.92 0.00 0.00 0.00 179.25 178.51 3kpr h TYR 159 N 0.98 0.26 -0.53 0.00 3.20 -0.74 -2.23 116.97 117.90 3kpr h TYR 159 Ca 0.25 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 3kpr h TYR 159 Cb 0.02 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3kpr h TYR 159 CO -0.00 0.64 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.08 3kpr h LEU 160 N -0.19 0.88 0.00 2.82 3.38 -1.01 0.31 115.31 121.50 3kpr h LEU 160 Ca 0.02 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kpr h LEU 160 Cb 0.59 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3kpr h LEU 160 CO 0.02 0.95 -0.38 -0.33 0.09 0.00 0.00 178.44 178.79 3kpr h GLU 161 N 0.84 0.00 0.00 1.13 5.08 -1.43 -3.29 114.58 116.91 3kpr h GLU 161 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3kpr h GLU 161 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3kpr h GLU 161 CO 0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 3kpr n GLY 162 N 1.21 0.27 0.22 -3.84 0.00 -0.84 -4.80 105.19 97.41 3kpr n GLY 162 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 0.59 0.24 0.99 5.85 -1.37 -2.15 115.31 119.46 3kpr h LEU 163 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kpr h LEU 163 Cb 0.00 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3kpr h LEU 163 CO 0.00 0.42 -0.52 0.00 -0.34 0.00 0.00 178.44 178.00 3kpr h VAL 165 N -0.83 1.24 -0.09 0.00 -1.51 -1.62 -1.80 116.25 111.65 3kpr h VAL 165 Ca -0.02 -1.09 -0.01 0.00 -1.23 0.00 0.00 66.70 64.35 3kpr h VAL 165 Cb 0.79 1.07 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 3kpr h VAL 165 CO -0.21 0.36 0.03 -0.33 -1.23 0.00 0.00 177.57 176.19 3kpr h GLU 166 N 0.59 0.14 -0.63 5.19 5.08 -1.07 -2.14 114.58 121.74 3kpr h GLU 166 Ca 0.11 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3kpr h GLU 166 Cb 0.53 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3kpr h GLU 166 CO 0.03 0.28 0.03 0.66 -1.00 0.00 0.00 179.01 179.01 3kpr h SER 167 N -0.03 1.07 -0.50 1.42 4.64 -0.71 -2.72 113.55 116.71 3kpr h SER 167 Ca 0.03 -0.29 0.02 0.00 -0.47 0.00 0.00 61.79 61.08 3kpr h SER 167 Cb 0.20 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 3kpr h SER 167 CO -0.00 1.10 0.31 0.25 -0.87 0.00 0.00 176.83 177.61 3kpr h LEU 168 N 1.01 0.51 -1.07 5.97 5.85 -1.27 -0.38 115.31 125.91 3kpr h LEU 168 Ca 0.18 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.92 3kpr h LEU 168 Cb 0.53 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3kpr h LEU 168 CO 0.03 0.36 0.63 0.03 -0.34 0.00 0.00 178.44 179.14 3kpr h ARG 169 N 0.62 1.22 -0.42 1.25 3.08 -1.30 0.11 114.38 118.93 3kpr h ARG 169 Ca 0.20 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 3kpr h ARG 169 Cb -0.00 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.76 3kpr h ARG 169 CO -0.08 0.81 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.45 3kpr h ARG 170 N 1.26 0.81 -0.54 0.04 2.43 -1.12 -2.15 114.38 115.11 3kpr h ARG 170 Ca 0.36 -0.31 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3kpr h ARG 170 Cb -0.10 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3kpr h ARG 170 CO -0.09 0.93 0.15 1.88 -1.51 0.00 0.00 179.97 181.32 3kpr h TYR 171 N 0.63 0.90 -0.34 2.20 0.05 -0.60 -1.21 116.97 118.59 3kpr h TYR 171 Ca 0.11 -0.10 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 3kpr h TYR 171 Cb 0.62 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 3kpr h TYR 171 CO 0.05 0.78 0.03 -0.07 -1.05 0.00 0.00 178.16 177.89 3kpr h LEU 172 N 0.76 0.48 0.04 3.88 3.38 -0.71 -1.70 115.31 121.45 3kpr h LEU 172 Ca 0.17 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3kpr h LEU 172 Cb 0.32 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kpr h LEU 172 CO -0.00 0.53 -0.40 -0.08 0.09 0.00 0.00 178.44 178.57 3kpr h GLU 173 N 0.50 0.20 0.00 1.13 4.57 -1.22 -2.37 114.58 117.38 3kpr h GLU 173 Ca 0.11 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 3kpr h GLU 173 Cb 0.28 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3kpr h GLU 173 CO 0.01 1.06 -0.16 -0.91 -1.18 0.00 0.00 179.01 177.83 3kpr h ASN 174 N -0.54 0.00 -0.86 1.04 2.35 -1.15 -2.72 115.58 113.70 3kpr h ASN 174 Ca -0.06 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.14 3kpr h ASN 174 Cb 1.24 0.00 -0.43 0.00 0.05 0.00 0.00 38.32 39.18 3kpr h ASN 174 CO 0.08 0.16 -0.82 0.61 -1.65 0.00 0.00 177.43 175.81 3kpr n GLY 175 N -0.89 6.21 0.30 2.83 0.00 -0.65 -4.85 105.19 108.14 3kpr n GLY 175 Ca -0.02 -2.64 -0.01 0.00 0.00 0.00 0.00 46.02 43.35 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 2.26 0.76 0.00 1.61 2.10 -1.09 -0.22 116.57 122.00 3kpr h LYS 176 Ca 0.34 -0.13 -0.03 0.00 -2.00 0.00 0.00 60.65 58.83 3kpr h LYS 176 Cb 1.43 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.63 3kpr h LYS 176 CO 0.76 0.66 -0.15 1.49 -2.00 0.00 0.00 179.45 180.20 3kpr h GLU 177 N 0.75 0.00 0.00 0.07 4.81 -1.87 -1.61 114.58 116.73 3kpr h GLU 177 Ca 0.17 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.13 3kpr h GLU 177 Cb 0.21 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 3kpr h GLU 177 CO -0.01 0.15 -1.96 0.25 -0.73 0.00 0.00 179.01 176.71 3kpr n THR 178 N -3.75 0.95 0.07 0.32 -2.24 -1.15 -4.40 114.28 104.09 3kpr n THR 178 Ca -0.02 -0.30 -0.05 0.00 -2.27 0.00 0.00 64.05 61.41 3kpr n THR 178 Cb 0.26 -1.42 0.12 0.00 -2.10 0.00 0.00 70.33 67.19 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 -0.33 0.32 -1.08 3.22 3.38 -1.09 -3.29 115.31 116.44 3kpr h LEU 179 Ca -0.41 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3kpr h LEU 179 Cb 1.48 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.14 3kpr h LEU 179 CO -0.17 0.82 -0.36 0.00 0.09 0.00 0.00 178.44 178.82 3kpr n GLN 180 N -3.90 1.49 -4.30 1.13 6.02 -0.61 -4.86 117.38 112.34 3kpr n GLN 180 Ca -0.02 -1.05 -0.34 0.00 -0.01 0.00 0.00 57.00 55.58 3kpr n GLN 180 Cb 0.60 -1.40 -0.12 0.00 1.02 0.00 0.00 30.24 30.34 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 -2.17 3.65 0.11 -1.09 3.52 -1.23 -5.04 118.95 116.70 3kpr s ARG 181 Ca 0.18 -0.52 -0.24 0.00 -0.13 0.00 0.00 55.73 55.02 3kpr s ARG 181 Cb 0.16 -2.96 -0.07 0.00 -1.56 0.00 0.00 34.95 30.52 3kpr s ARG 181 CO 0.47 0.17 0.72 0.00 -0.81 0.00 0.00 175.30 175.85 3kpr s ALA 182 N 0.56 3.47 -0.30 6.12 0.00 -1.26 -4.80 121.76 125.55 3kpr s ALA 182 Ca -0.02 0.26 -0.16 0.00 0.00 0.00 0.00 51.96 52.04 3kpr s ALA 182 Cb -0.14 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3kpr s ALA 182 CO 0.02 0.26 0.40 -0.51 0.00 0.00 0.00 175.76 175.94 3kpr s ASP 183 N -0.87 6.26 0.36 0.00 1.01 0.26 -4.81 116.67 118.88 3kpr s ASP 183 Ca 0.35 0.14 -0.27 0.00 0.71 0.00 0.00 52.55 53.48 3kpr s ASP 183 Cb -0.22 -2.22 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 3kpr s ASP 183 CO 0.24 -0.27 1.16 -2.16 0.21 0.00 0.00 175.17 174.35 3kpr s PRO 184 N 2.12 4.25 0.29 8.23 0.04 -1.26 -1.94 135.00 146.73 3kpr s PRO 184 Ca 0.15 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 3kpr s PRO 184 Cb -0.16 -2.84 -0.09 0.00 0.04 0.00 0.00 34.50 31.44 3kpr s PRO 184 CO 0.11 -0.16 1.05 -1.25 0.04 0.00 0.00 177.00 176.79 3kpr s PRO 185 N -2.04 4.62 -0.30 0.56 0.04 -1.26 -4.50 135.00 132.11 3kpr s PRO 185 Ca 0.53 1.68 -0.21 0.00 0.04 0.00 0.00 61.00 63.04 3kpr s PRO 185 Cb -0.32 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 3kpr s PRO 185 CO 0.40 0.23 0.66 0.15 0.04 0.00 0.00 177.00 178.48 3kpr s LYS 186 N -1.56 3.92 -0.05 4.56 1.02 0.56 -4.81 119.74 123.38 3kpr s LYS 186 Ca 0.46 0.36 0.03 0.00 0.02 0.00 0.00 55.97 56.83 3kpr s LYS 186 Cb -0.29 -3.73 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 3kpr s LYS 186 CO 0.37 -0.59 -0.11 0.95 -0.92 0.00 0.00 175.35 175.05 3kpr s THR 187 N 2.67 3.35 0.09 2.17 -4.23 -1.26 -1.84 115.64 116.58 3kpr s THR 187 Ca 0.26 -0.65 -0.20 0.00 -1.18 0.00 0.00 61.69 59.92 3kpr s THR 187 Cb -0.15 -2.35 0.05 0.00 1.34 0.00 0.00 72.50 71.38 3kpr s THR 187 CO 0.12 0.56 0.48 -1.38 -0.54 0.00 0.00 174.62 173.86 3kpr s HIS 188 N -0.80 -0.35 -0.19 3.99 -3.43 -1.21 -5.02 115.29 108.28 3kpr s HIS 188 Ca 0.13 0.25 -0.01 0.00 -0.80 0.00 0.00 55.06 54.62 3kpr s HIS 188 Cb -0.11 0.33 0.01 0.00 -1.43 0.00 0.00 32.58 31.38 3kpr s HIS 188 CO 0.02 -0.68 -0.13 0.08 -2.00 0.00 0.00 174.74 172.02 3kpr s VAL 189 N -3.03 2.65 0.21 -5.38 1.01 -1.26 -1.33 120.40 113.28 3kpr s VAL 189 Ca -0.02 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3kpr s VAL 189 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3kpr s VAL 189 CO -0.06 0.49 0.22 0.42 0.00 0.00 0.00 175.10 176.17 3kpr s THR 190 N 1.27 4.70 -0.16 3.92 -4.23 -0.60 -4.61 115.64 115.93 3kpr s THR 190 Ca 0.03 -1.16 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 3kpr s THR 190 Cb -0.14 -3.49 0.01 0.00 1.34 0.00 0.00 72.50 70.22 3kpr s THR 190 CO -0.07 -0.25 -0.19 -2.28 -0.54 0.00 0.00 174.62 171.29 3kpr s HIS 191 N -1.95 2.73 -0.28 3.99 2.46 -1.26 -1.99 115.29 119.00 3kpr s HIS 191 Ca 0.33 -1.33 -0.00 0.00 0.47 0.00 0.00 55.06 54.52 3kpr s HIS 191 Cb -0.09 -1.87 0.09 0.00 -0.13 0.00 0.00 32.58 30.58 3kpr s HIS 191 CO 0.26 -0.62 0.05 -1.01 -2.47 0.00 0.00 174.74 170.95 3kpr s HIS 192 N 0.96 1.92 0.30 3.88 3.76 -0.46 -5.03 115.29 120.61 3kpr s HIS 192 Ca -0.03 -1.71 -0.29 0.00 -0.15 0.00 0.00 55.06 52.87 3kpr s HIS 192 Cb -0.15 -1.69 -0.10 0.00 1.11 0.00 0.00 32.58 31.75 3kpr s HIS 192 CO -0.04 -0.82 1.36 -2.14 -0.85 0.00 0.00 174.74 172.25 3kpr s PRO 193 N 1.55 4.31 -0.06 8.40 0.02 -1.26 -0.45 135.00 147.50 3kpr s PRO 193 Ca 0.05 2.26 -0.02 0.00 0.02 0.00 0.00 61.00 63.30 3kpr s PRO 193 Cb -0.18 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 3kpr s PRO 193 CO -0.17 -0.29 -0.08 -0.89 -0.33 0.00 0.00 177.00 175.24 3kpr n ILE 194 N 1.46 0.35 -2.01 2.83 2.08 -0.71 -4.88 119.36 118.48 3kpr n ILE 194 Ca 0.03 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.24 3kpr n ILE 194 Cb 0.41 -1.41 0.00 0.00 -0.75 0.00 0.00 39.64 37.89 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 -3.17 0.01 0.00 4.38 3.41 -0.57 -5.01 113.62 112.67 3kpr n SER 195 Ca -0.12 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.42 3kpr n SER 195 Cb 0.60 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.00 0.00 4.04 5.19 -2.03 -3.40 116.42 120.23 3kpr h ASP 196 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kpr h ASP 196 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3kpr h ASP 196 CO 0.00 0.93 0.00 1.41 -3.12 0.00 0.00 179.24 178.46 3kpr n HIS 197 N -3.09 0.00 -4.05 4.55 8.25 -1.26 -4.79 115.22 114.83 3kpr n HIS 197 Ca -0.12 -0.12 -0.20 0.00 -0.26 0.00 0.00 57.72 57.01 3kpr n HIS 197 Cb 1.00 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.93 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 -0.25 0.72 0.03 -0.41 2.02 -1.26 -2.24 118.70 117.32 3kpr s GLU 198 Ca 0.00 -0.04 0.05 0.00 0.02 0.00 0.00 54.97 55.00 3kpr s GLU 198 Cb 0.00 -0.82 -0.02 0.00 0.10 0.00 0.00 34.13 33.39 3kpr s GLU 198 CO 0.00 -0.13 -0.14 0.14 0.02 0.00 0.00 175.26 175.14 3kpr s VAL 199 N 1.14 1.14 -0.11 2.63 -7.23 0.10 -1.52 120.40 116.56 3kpr s VAL 199 Ca -0.08 -0.93 -0.19 0.00 -1.81 0.00 0.00 61.98 58.98 3kpr s VAL 199 Cb -0.14 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 3kpr s VAL 199 CO -0.01 0.08 0.51 -0.89 -0.31 0.00 0.00 175.10 174.47 3kpr s THR 200 N -0.74 5.16 -0.20 5.32 2.01 0.40 -0.37 115.64 127.22 3kpr s THR 200 Ca 0.03 1.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.98 3kpr s THR 200 Cb -0.07 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 3kpr s THR 200 CO 0.01 0.32 0.06 -0.76 -0.69 0.00 0.00 174.62 173.56 3kpr s LEU 201 N 0.61 3.66 -0.19 4.42 1.43 -0.70 -1.36 118.68 126.56 3kpr s LEU 201 Ca 0.28 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3kpr s LEU 201 Cb -0.16 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3kpr s LEU 201 CO 0.11 0.10 -0.11 -0.60 0.23 0.00 0.00 176.35 176.08 3kpr s ARG 202 N 0.81 3.23 -0.33 1.70 3.52 -0.84 -1.84 118.95 125.21 3kpr s ARG 202 Ca 0.03 -0.71 -0.13 0.00 -0.13 0.00 0.00 55.73 54.79 3kpr s ARG 202 Cb -0.14 -2.79 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 3kpr s ARG 202 CO 0.02 -0.14 0.27 0.00 -0.81 0.00 0.00 175.30 174.65 3kpr s TRP 204 N 1.82 3.53 -0.06 0.00 0.52 -0.44 -1.19 118.94 123.12 3kpr s TRP 204 Ca 0.08 0.34 0.00 0.00 0.02 0.00 0.00 56.10 56.54 3kpr s TRP 204 Cb -0.17 -1.82 0.02 0.00 -1.15 0.00 0.00 33.47 30.36 3kpr s TRP 204 CO 0.11 0.64 -0.04 0.00 0.02 0.00 0.00 176.95 177.68 3kpr s ALA 205 N -1.32 0.78 -0.01 0.98 0.00 0.02 -3.35 121.76 118.86 3kpr s ALA 205 Ca 0.27 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.10 3kpr s ALA 205 Cb -0.13 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.42 3kpr s ALA 205 CO 0.19 -0.18 -0.05 -0.51 0.00 0.00 0.00 175.76 175.21 3kpr s LEU 206 N 1.29 1.88 -0.62 0.00 1.43 -0.77 -2.18 118.68 119.71 3kpr s LEU 206 Ca -0.05 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3kpr s LEU 206 Cb -0.14 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 45.79 3kpr s LEU 206 CO -0.02 0.04 0.53 0.61 0.23 0.00 0.00 176.35 177.74 3kpr n GLY 207 N 3.15 0.20 3.64 -3.19 0.00 -0.85 -0.32 105.19 107.82 3kpr n GLY 207 Ca -0.15 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.16 2.97 -0.07 1.61 -0.71 -1.12 -4.49 117.98 113.01 3kpr s PHE 208 Ca 0.20 0.01 -0.04 0.00 -1.04 0.00 0.00 56.93 56.06 3kpr s PHE 208 Cb -0.09 -1.62 0.04 0.00 -1.21 0.00 0.00 43.02 40.14 3kpr s PHE 208 CO 0.34 0.42 0.17 -0.47 -1.34 0.00 0.00 175.22 174.34 3kpr s TYR 209 N -1.07 -0.20 1.00 3.49 6.14 -0.82 -0.95 117.35 124.94 3kpr s TYR 209 Ca 0.19 0.54 -0.17 0.00 0.64 0.00 0.00 57.07 58.27 3kpr s TYR 209 Cb -0.11 -0.03 0.23 0.00 0.42 0.00 0.00 41.96 42.46 3kpr s TYR 209 CO 0.10 -0.17 1.35 -1.25 0.64 0.00 0.00 175.55 176.22 3kpr s PRO 210 N 1.00 0.34 0.46 4.97 0.05 -1.26 -0.57 135.00 139.98 3kpr s PRO 210 Ca -0.08 -0.51 0.14 0.00 0.05 0.00 0.00 61.00 60.60 3kpr s PRO 210 Cb -0.09 -1.82 1.05 0.00 0.05 0.00 0.00 34.50 33.69 3kpr s PRO 210 CO -0.05 -2.60 2.04 0.00 0.05 0.00 0.00 177.00 176.43 3kpr h ALA 211 N -1.78 1.77 -1.95 8.56 0.00 -1.94 -3.44 119.26 120.49 3kpr h ALA 211 Ca -0.44 -0.11 -0.64 0.00 0.00 0.00 0.00 54.91 53.72 3kpr h ALA 211 Cb 1.22 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.00 3kpr h ALA 211 CO 0.32 0.17 0.94 -1.91 0.00 0.00 0.00 179.25 178.78 3kpr n GLU 212 N -4.40 1.87 -3.50 0.00 4.07 -1.26 -4.95 120.64 112.47 3kpr n GLU 212 Ca -0.02 0.68 -0.15 0.00 -0.06 0.00 0.00 57.16 57.61 3kpr n GLU 212 Cb 0.19 -2.46 -0.05 0.00 -0.06 0.00 0.00 31.44 29.06 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 3.00 0.00 -0.08 6.31 2.07 -1.26 -4.62 121.20 126.62 3kpr s ILE 213 Ca 0.90 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 60.14 3kpr s ILE 213 Cb -0.79 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.82 3kpr s ILE 213 CO 0.51 0.00 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.60 3kpr s THR 214 N -1.88 0.74 -0.20 4.00 2.01 -0.72 -5.01 115.64 114.58 3kpr s THR 214 Ca -0.06 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.80 3kpr s THR 214 Cb -0.00 -0.79 0.03 0.00 0.01 0.00 0.00 72.50 71.75 3kpr s THR 214 CO 0.03 0.31 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.35 3kpr s LEU 215 N 1.53 2.46 -0.06 4.42 1.43 -1.26 -1.39 118.68 125.82 3kpr s LEU 215 Ca -0.00 -0.88 0.02 0.00 -1.03 0.00 0.00 54.13 52.25 3kpr s LEU 215 Cb -0.13 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.67 3kpr s LEU 215 CO -0.04 -0.08 -0.12 0.42 0.23 0.00 0.00 176.35 176.75 3kpr s THR 216 N 1.28 1.12 0.14 5.49 -4.23 -1.03 -4.98 115.64 113.42 3kpr s THR 216 Ca 0.00 -0.48 -0.22 0.00 -1.18 0.00 0.00 61.69 59.81 3kpr s THR 216 Cb -0.15 -1.01 -0.07 0.00 1.34 0.00 0.00 72.50 72.60 3kpr s THR 216 CO -0.10 0.35 0.68 0.26 -0.54 0.00 0.00 174.62 175.27 3kpr s TRP 217 N 0.55 3.82 -0.02 3.99 0.52 -1.26 -1.44 118.94 125.10 3kpr s TRP 217 Ca -0.12 1.44 0.02 0.00 0.02 0.00 0.00 56.10 57.46 3kpr s TRP 217 Cb -0.15 -2.63 0.00 0.00 -1.15 0.00 0.00 33.47 29.55 3kpr s TRP 217 CO 0.03 0.51 -0.07 -0.65 0.02 0.00 0.00 176.95 176.79 3kpr s GLN 218 N -1.30 0.70 -0.16 4.98 -0.21 0.53 -1.55 119.66 122.64 3kpr s GLN 218 Ca 0.34 -0.24 -0.01 0.00 0.02 0.00 0.00 55.36 55.48 3kpr s GLN 218 Cb -0.20 -0.68 -0.01 0.00 1.00 0.00 0.00 33.01 33.12 3kpr s GLN 218 CO 0.22 0.10 -0.13 0.50 -2.12 0.00 0.00 175.29 173.87 3kpr s ARG 219 N 0.10 3.30 0.00 2.91 3.52 -0.84 -0.46 118.95 127.48 3kpr s ARG 219 Ca -0.01 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 3kpr s ARG 219 Cb -0.06 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 3kpr s ARG 219 CO -0.00 0.05 0.00 -0.25 -0.81 0.00 0.00 175.30 174.29 3kpr n ASP 220 N 4.00 0.00 0.00 -2.12 8.00 -1.18 -1.13 116.55 124.12 3kpr n ASP 220 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3kpr n ASP 220 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 41.12 39.39 3kpr n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpr n GLY 221 N -2.00 0.98 3.89 0.44 0.00 -1.26 -5.12 105.19 102.12 3kpr n GLY 221 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.18 3.43 -0.05 1.61 0.41 -0.28 -5.05 118.70 118.58 3kpr s GLU 222 Ca 0.00 -0.25 -0.30 0.00 -0.41 0.00 0.00 54.97 54.01 3kpr s GLU 222 Cb 0.00 -3.12 -0.05 0.00 -1.78 0.00 0.00 34.13 29.18 3kpr s GLU 222 CO 0.00 0.71 1.48 -0.51 -0.49 0.00 0.00 175.26 176.46 3kpr s ASP 223 N -1.58 6.79 -0.51 -0.19 1.11 -1.26 -2.00 116.67 119.02 3kpr s ASP 223 Ca 0.22 2.09 0.02 0.00 0.18 0.00 0.00 52.55 55.06 3kpr s ASP 223 Cb -0.12 -2.55 0.57 0.00 1.07 0.00 0.00 42.92 41.89 3kpr s ASP 223 CO 0.13 -0.82 1.94 0.00 1.18 0.00 0.00 175.17 177.60 3kpr n GLN 224 N 6.34 2.36 0.00 8.23 1.13 -0.60 -4.73 117.38 130.11 3kpr n GLN 224 Ca 0.15 -3.00 0.05 0.00 -1.94 0.00 0.00 57.00 52.26 3kpr n GLN 224 Cb 0.43 -2.18 0.23 0.00 0.11 0.00 0.00 30.24 28.84 3kpr n GLN 224 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3kpr n THR 225 N -1.00 0.97 -0.05 5.09 -1.04 -1.26 -1.78 114.28 115.21 3kpr n THR 225 Ca 0.59 0.24 -0.15 0.00 -2.04 0.00 0.00 64.05 62.69 3kpr n THR 225 Cb 1.29 -1.08 -0.14 0.00 -1.82 0.00 0.00 70.33 68.58 3kpr n THR 225 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3kpr n GLN 226 N -1.36 0.69 -0.46 -2.82 -0.06 -1.26 -4.26 117.38 107.85 3kpr n GLN 226 Ca 0.04 0.19 0.08 0.00 -2.00 0.00 0.00 57.00 55.31 3kpr n GLN 226 Cb 0.09 -1.65 0.29 0.00 -4.06 0.00 0.00 30.24 24.91 3kpr n GLN 226 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3kpr n ASP 227 N -3.16 3.81 -4.71 1.69 9.92 -0.73 -4.88 116.55 118.50 3kpr n ASP 227 Ca -0.31 -2.27 -0.37 0.00 -0.53 0.00 0.00 54.79 51.31 3kpr n ASP 227 Cb 1.06 -0.49 -0.07 0.00 -0.64 0.00 0.00 41.12 40.98 3kpr n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3kpr s THR 228 N -1.63 5.22 -0.18 -3.53 2.01 -0.79 -4.32 115.64 112.43 3kpr s THR 228 Ca 0.42 0.78 -0.17 0.00 0.31 0.00 0.00 61.69 63.03 3kpr s THR 228 Cb 0.26 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 3kpr s THR 228 CO 0.22 0.32 0.43 -0.70 -0.69 0.00 0.00 174.62 174.21 3kpr s GLU 229 N 0.76 4.22 -0.07 4.92 2.12 0.20 -4.94 118.70 125.91 3kpr s GLU 229 Ca 0.22 0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.86 3kpr s GLU 229 Cb -0.14 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.75 3kpr s GLU 229 CO 0.08 0.00 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.49 3kpr s LEU 230 N 1.16 1.73 0.10 2.70 2.96 -1.26 0.17 118.68 126.25 3kpr s LEU 230 Ca 0.21 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3kpr s LEU 230 Cb -0.15 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 3kpr s LEU 230 CO 0.08 0.06 0.24 0.68 -1.32 0.00 0.00 176.35 176.09 3kpr s VAL 231 N 0.60 5.33 0.44 1.68 -7.23 -1.20 -5.06 120.40 114.96 3kpr s VAL 231 Ca -0.15 -0.55 -0.26 0.00 -1.81 0.00 0.00 61.98 59.21 3kpr s VAL 231 Cb -0.16 -3.67 -0.08 0.00 0.56 0.00 0.00 36.38 33.02 3kpr s VAL 231 CO 0.05 0.02 1.40 -0.70 -0.31 0.00 0.00 175.10 175.56 3kpr s GLU 232 N -2.86 3.77 0.23 4.82 2.12 -1.26 -4.66 118.70 120.85 3kpr s GLU 232 Ca 0.35 2.36 -0.31 0.00 0.36 0.00 0.00 54.97 57.73 3kpr s GLU 232 Cb -0.12 -2.69 -0.10 0.00 0.26 0.00 0.00 34.13 31.48 3kpr s GLU 232 CO 0.28 -0.73 1.54 0.99 -0.54 0.00 0.00 175.26 176.80 3kpr s THR 233 N -1.21 2.46 -0.02 -1.70 2.01 -1.26 -4.84 115.64 111.08 3kpr s THR 233 Ca 0.60 0.37 0.05 0.00 0.31 0.00 0.00 61.69 63.01 3kpr s THR 233 Cb -0.42 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 3kpr s THR 233 CO 0.55 0.05 -0.15 0.00 -0.69 0.00 0.00 174.62 174.37 3kpr s ARG 234 N 0.23 1.35 0.19 4.92 1.70 0.13 -4.94 118.95 122.52 3kpr s ARG 234 Ca 0.65 -0.55 -0.30 0.00 -0.47 0.00 0.00 55.73 55.06 3kpr s ARG 234 Cb -0.44 -1.27 -0.09 0.00 -0.57 0.00 0.00 34.95 32.58 3kpr s ARG 234 CO 0.39 0.30 1.34 -1.25 -1.08 0.00 0.00 175.30 175.00 3kpr s PRO 235 N -0.23 4.36 0.48 3.89 0.04 -1.26 0.11 135.00 142.39 3kpr s PRO 235 Ca 0.03 2.08 0.27 0.00 0.04 0.00 0.00 61.00 63.43 3kpr s PRO 235 Cb -0.07 -3.20 0.81 0.00 0.04 0.00 0.00 34.50 32.08 3kpr s PRO 235 CO 0.00 -0.31 1.78 0.00 0.04 0.00 0.00 177.00 178.51 3kpr h ALA 236 N 5.64 0.98 0.00 8.56 0.00 -1.39 -3.46 119.26 129.59 3kpr h ALA 236 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kpr h ALA 236 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kpr h ALA 236 CO 0.79 0.07 0.00 0.41 0.00 0.00 0.00 179.25 180.52 3kpr n GLY 237 N 0.57 1.63 1.61 0.00 0.00 -1.26 -4.90 105.19 102.84 3kpr n GLY 237 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 4.38 0.00 1.61 5.68 -1.26 -4.93 116.55 122.03 3kpr n ASP 238 Ca 0.00 -3.22 0.00 0.00 -0.50 0.00 0.00 54.79 51.07 3kpr n ASP 238 Cb 0.00 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.30 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 -0.31 0.00 -2.58 0.11 1.74 -1.26 -5.02 116.66 109.34 3kpr n ARG 239 Ca 0.34 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.20 3kpr n ARG 239 Cb 1.21 -1.14 0.06 0.00 -1.02 0.00 0.00 32.46 31.57 3kpr n ARG 239 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kpr s THR 240 N -2.14 2.50 0.34 0.55 -4.23 -1.26 -4.89 115.64 106.50 3kpr s THR 240 Ca 0.00 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 59.97 3kpr s THR 240 Cb 0.00 -2.90 -0.07 0.00 1.34 0.00 0.00 72.50 70.88 3kpr s THR 240 CO 0.00 0.00 -0.00 -0.36 -0.54 0.00 0.00 174.62 173.72 3kpr s PHE 241 N -2.90 2.16 0.03 3.99 0.40 -0.13 -1.04 117.98 120.49 3kpr s PHE 241 Ca 0.60 -0.76 0.02 0.00 -0.60 0.00 0.00 56.93 56.19 3kpr s PHE 241 Cb -0.09 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 42.03 3kpr s PHE 241 CO 0.40 0.26 -0.08 -0.65 0.70 0.00 0.00 175.22 175.86 3kpr s GLN 242 N -3.77 0.52 -0.17 0.44 -0.21 0.12 -2.00 119.66 114.59 3kpr s GLN 242 Ca 0.34 -0.66 -0.25 0.00 0.02 0.00 0.00 55.36 54.81 3kpr s GLN 242 Cb 0.07 -0.33 0.06 0.00 1.00 0.00 0.00 33.01 33.81 3kpr s GLN 242 CO 0.15 0.07 0.64 0.21 -2.12 0.00 0.00 175.29 174.23 3kpr s LYS 243 N -1.32 0.84 0.10 2.91 2.20 -0.93 -0.69 119.74 122.87 3kpr s LYS 243 Ca -0.08 0.63 0.03 0.00 -0.36 0.00 0.00 55.97 56.20 3kpr s LYS 243 Cb -0.09 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 3kpr s LYS 243 CO 0.00 -0.17 -0.09 1.67 -0.36 0.00 0.00 175.35 176.40 3kpr s TRP 244 N -0.24 1.04 -0.07 4.03 1.48 -1.26 -0.80 118.94 123.12 3kpr s TRP 244 Ca -0.04 -0.73 0.01 0.00 -1.06 0.00 0.00 56.10 54.28 3kpr s TRP 244 Cb -0.03 -0.57 0.02 0.00 -1.16 0.00 0.00 33.47 31.73 3kpr s TRP 244 CO 0.04 -0.02 -0.08 0.00 -4.06 0.00 0.00 176.95 172.83 3kpr s ALA 245 N -2.85 1.04 0.08 2.67 0.00 -0.34 -3.21 121.76 119.16 3kpr s ALA 245 Ca 0.08 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 51.81 3kpr s ALA 245 Cb -0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3kpr s ALA 245 CO -0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 175.76 175.57 3kpr s ALA 246 N 1.04 2.90 -0.13 0.00 0.00 0.13 -0.19 121.76 125.51 3kpr s ALA 246 Ca -0.08 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.61 3kpr s ALA 246 Cb -0.14 -0.90 0.06 0.00 0.00 0.00 0.00 23.12 22.14 3kpr s ALA 246 CO -0.00 0.63 0.29 0.54 0.00 0.00 0.00 175.76 177.21 3kpr s VAL 247 N -1.14 -0.23 -0.11 0.00 0.11 -0.76 0.62 120.40 118.88 3kpr s VAL 247 Ca 0.20 0.19 -0.30 0.00 -2.93 0.00 0.00 61.98 59.14 3kpr s VAL 247 Cb -0.11 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 3kpr s VAL 247 CO 0.12 0.08 1.09 -0.69 -3.33 0.00 0.00 175.10 172.36 3kpr s VAL 248 N 1.82 4.58 0.09 2.04 1.01 -1.26 -1.71 120.40 126.96 3kpr s VAL 248 Ca -0.05 1.87 0.05 0.00 0.00 0.00 0.00 61.98 63.86 3kpr s VAL 248 Cb -0.11 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3kpr s VAL 248 CO -0.10 -0.03 -0.14 0.68 0.00 0.00 0.00 175.10 175.51 3kpr s VAL 249 N 2.33 1.20 0.55 2.92 -7.23 0.50 -4.97 120.40 115.71 3kpr s VAL 249 Ca 0.50 -1.47 -0.19 0.00 -1.81 0.00 0.00 61.98 59.01 3kpr s VAL 249 Cb -0.20 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 3kpr s VAL 249 CO 0.17 -0.30 1.15 -2.84 -0.31 0.00 0.00 175.10 172.98 3kpr s PRO 250 N -2.11 3.28 0.27 4.82 0.02 -1.26 -0.72 135.00 139.30 3kpr s PRO 250 Ca 0.02 1.67 -0.30 0.00 0.02 0.00 0.00 61.00 62.42 3kpr s PRO 250 Cb -0.08 -2.00 -0.10 0.00 0.02 0.00 0.00 34.50 32.33 3kpr s PRO 250 CO 0.02 -0.92 1.47 -1.12 -0.33 0.00 0.00 177.00 176.12 3kpr s SER 251 N -1.71 6.58 0.00 2.53 0.01 -0.95 -2.77 113.70 117.40 3kpr s SER 251 Ca 0.74 2.75 0.00 0.00 1.31 0.00 0.00 55.95 60.75 3kpr s SER 251 Cb -0.26 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.34 3kpr s SER 251 CO 0.29 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.80 3kpr n GLY 252 N 2.02 0.50 0.37 3.44 0.00 -1.26 -4.90 105.19 105.36 3kpr n GLY 252 Ca 0.06 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 0.64 0.13 1.61 1.02 -1.11 -4.78 120.64 115.22 3kpr n GLU 253 Ca 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 3kpr n GLU 253 Cb 0.00 -0.97 0.30 0.00 -0.02 0.00 0.00 31.44 30.76 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 0.10 0.17 0.00 3.49 3.07 -1.91 -2.68 114.58 116.82 3kpr h GLU 254 Ca -0.01 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3kpr h GLU 254 Cb 1.23 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3kpr h GLU 254 CO 0.01 0.49 0.00 1.96 -1.40 0.00 0.00 179.01 180.06 3kpr h GLN 255 N 0.15 0.00 -0.01 2.33 1.08 -1.89 -2.88 115.11 113.90 3kpr h GLN 255 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3kpr h GLN 255 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 3kpr h GLN 255 CO 0.05 0.00 -0.26 0.54 -0.95 0.00 0.00 178.83 178.21 3kpr n ARG 256 N -2.53 0.87 -4.40 1.46 1.74 -1.01 -4.89 116.66 107.89 3kpr n ARG 256 Ca 0.01 -0.52 -0.34 0.00 -0.77 0.00 0.00 57.85 56.22 3kpr n ARG 256 Cb 0.21 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.49 3.09 -0.03 -1.55 1.51 -1.09 -3.13 117.35 113.66 3kpr s TYR 257 Ca 0.24 0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.38 3kpr s TYR 257 Cb 0.19 -1.83 -0.00 0.00 -0.11 0.00 0.00 41.96 40.20 3kpr s TYR 257 CO 0.52 0.30 -0.16 0.95 -1.11 0.00 0.00 175.55 176.04 3kpr s THR 258 N -0.48 1.36 -0.30 -0.71 -4.23 0.39 -4.57 115.64 107.10 3kpr s THR 258 Ca 0.08 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.82 3kpr s THR 258 Cb -0.12 -1.16 -0.00 0.00 1.34 0.00 0.00 72.50 72.56 3kpr s THR 258 CO 0.02 0.39 0.13 0.00 -0.54 0.00 0.00 174.62 174.62 3kpr s HIS 260 N 1.58 3.39 -0.21 0.00 3.76 -0.52 -0.22 115.29 123.08 3kpr s HIS 260 Ca 0.04 0.67 -0.02 0.00 -0.15 0.00 0.00 55.06 55.60 3kpr s HIS 260 Cb -0.17 -2.54 0.00 0.00 1.11 0.00 0.00 32.58 30.98 3kpr s HIS 260 CO 0.05 0.01 -0.09 0.08 -0.85 0.00 0.00 174.74 173.93 3kpr s VAL 261 N 1.25 2.95 -0.19 -0.90 1.01 0.30 -2.48 120.40 122.34 3kpr s VAL 261 Ca 0.20 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3kpr s VAL 261 Cb -0.15 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3kpr s VAL 261 CO 0.08 0.46 -0.13 -1.10 0.00 0.00 0.00 175.10 174.41 3kpr s GLN 262 N 1.42 3.19 0.00 2.72 -0.21 -0.48 -1.66 119.66 124.63 3kpr s GLN 262 Ca 0.06 -0.73 -0.20 0.00 0.02 0.00 0.00 55.36 54.50 3kpr s GLN 262 Cb -0.14 -2.75 0.04 0.00 1.00 0.00 0.00 33.01 31.16 3kpr s GLN 262 CO -0.06 -0.16 0.44 -1.58 -2.12 0.00 0.00 175.29 171.80 3kpr s HIS 263 N 1.28 -0.33 0.22 0.91 2.46 -1.26 -1.75 115.29 116.81 3kpr s HIS 263 Ca 0.03 0.45 -0.08 0.00 0.47 0.00 0.00 55.06 55.93 3kpr s HIS 263 Cb -0.14 0.22 0.24 0.00 -0.13 0.00 0.00 32.58 32.77 3kpr s HIS 263 CO -0.07 -0.52 1.85 1.49 -2.47 0.00 0.00 174.74 175.02 3kpr h GLU 264 N 3.32 0.87 0.00 2.88 4.81 -1.93 -2.65 114.58 121.88 3kpr h GLU 264 Ca -0.30 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3kpr h GLU 264 Cb 1.18 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3kpr h GLU 264 CO 0.41 0.57 0.00 0.78 -0.73 0.00 0.00 179.01 180.05 3kpr h GLY 265 N 0.89 0.00 -5.12 1.92 0.00 -1.85 -3.43 103.07 95.48 3kpr h GLY 265 Ca 0.32 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.07 3kpr h GLY 265 CO -0.14 0.00 0.63 1.08 0.00 0.00 0.00 176.54 178.11 3kpr s LEU 266 N -5.00 4.15 0.26 3.11 1.43 -1.00 -4.66 118.68 116.97 3kpr s LEU 266 Ca 0.04 1.34 -0.03 0.00 -1.03 0.00 0.00 54.13 54.45 3kpr s LEU 266 Cb 0.09 -3.45 0.39 0.00 0.03 0.00 0.00 46.19 43.25 3kpr s LEU 266 CO 0.46 -0.54 1.87 -0.65 0.23 0.00 0.00 176.35 177.71 3kpr h PRO 267 N 7.36 1.06 -4.72 1.29 0.11 -1.87 -3.42 132.00 131.82 3kpr h PRO 267 Ca -0.24 -0.06 -0.29 0.00 0.11 0.00 0.00 66.00 65.52 3kpr h PRO 267 Cb 1.10 -0.24 -0.20 0.00 0.11 0.00 0.00 31.00 31.77 3kpr h PRO 267 CO 0.91 0.70 -0.73 -1.59 -0.21 0.00 0.00 178.00 177.08 3kpr s LYS 268 N -6.04 0.66 0.21 1.05 -2.85 -1.26 -5.13 119.74 106.38 3kpr s LYS 268 Ca -0.12 -0.94 -0.31 0.00 -1.00 0.00 0.00 55.97 53.60 3kpr s LYS 268 Cb 0.20 -0.37 -0.11 0.00 -2.06 0.00 0.00 37.83 35.49 3kpr s LYS 268 CO 0.81 0.06 1.62 -2.14 0.10 0.00 0.00 175.35 175.79 3kpr s PRO 269 N -2.16 4.17 0.36 1.78 0.02 -1.26 -4.98 135.00 132.93 3kpr s PRO 269 Ca -0.03 2.50 -0.15 0.00 0.02 0.00 0.00 61.00 63.33 3kpr s PRO 269 Cb -0.06 -3.09 -0.09 0.00 0.02 0.00 0.00 34.50 31.28 3kpr s PRO 269 CO -0.00 -0.65 0.78 -0.51 -0.33 0.00 0.00 177.00 176.28 3kpr s LEU 270 N 0.70 3.99 -0.10 -5.54 1.43 -0.67 -4.89 118.68 113.60 3kpr s LEU 270 Ca 0.70 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 55.13 3kpr s LEU 270 Cb -0.47 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 41.62 3kpr s LEU 270 CO 0.36 -0.28 -0.11 -0.89 0.23 0.00 0.00 176.35 175.66 3kpr s THR 271 N -2.10 1.18 0.15 5.49 2.01 -1.26 -0.54 115.64 120.57 3kpr s THR 271 Ca 0.55 -0.44 0.10 0.00 0.31 0.00 0.00 61.69 62.21 3kpr s THR 271 Cb -0.10 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 3kpr s THR 271 CO 0.20 0.38 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.52 3kpr s LEU 272 N 1.16 2.38 0.15 4.42 1.02 0.70 -4.93 118.68 123.58 3kpr s LEU 272 Ca -0.05 -0.80 0.01 0.00 0.02 0.00 0.00 54.13 53.31 3kpr s LEU 272 Cb -0.14 -1.02 -0.04 0.00 0.02 0.00 0.00 46.19 45.00 3kpr s LEU 272 CO -0.03 0.08 0.01 -0.13 0.02 0.00 0.00 176.35 176.30 3kpr s ARG 273 N -2.42 1.01 0.08 1.70 0.52 -1.26 -0.04 118.95 118.53 3kpr s ARG 273 Ca 0.15 -1.48 -0.31 0.00 -0.52 0.00 0.00 55.73 53.58 3kpr s ARG 273 Cb -0.08 -0.09 -0.08 0.00 0.52 0.00 0.00 34.95 35.22 3kpr s ARG 273 CO 0.07 -0.16 1.50 -0.46 0.02 0.00 0.00 175.30 176.27 3kpr s TRP 274 N -3.78 2.88 -0.39 -0.53 -0.11 -1.26 -4.73 118.94 111.01 3kpr s TRP 274 Ca 0.22 0.68 -0.15 0.00 1.22 0.00 0.00 56.10 58.07 3kpr s TRP 274 Cb 0.07 -3.80 0.01 0.00 -1.50 0.00 0.00 33.47 28.24 3kpr s TRP 274 CO 0.02 -3.01 0.35 -1.21 -4.62 0.00 0.00 176.95 168.48 3kpr s GLU 275 N 1.88 3.23 0.00 5.86 0.41 -1.26 -4.85 118.70 123.97 3kpr s GLU 275 Ca 0.68 -0.73 0.27 0.00 -0.41 0.00 0.00 54.97 54.78 3kpr s GLU 275 Cb -0.38 -3.91 1.60 0.00 -1.78 0.00 0.00 34.13 29.67 3kpr s GLU 275 CO 0.30 -0.68 1.95 -0.35 -0.49 0.00 0.00 175.26 175.99