#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpn s SER 2 N 0.00 6.50 0.04 1.61 0.01 -1.26 -3.03 113.70 117.58 3kpn s SER 2 Ca 0.00 0.63 -0.01 0.00 1.31 0.00 0.00 55.95 57.88 3kpn s SER 2 Cb 0.00 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 3kpn s SER 2 CO 0.00 0.03 -0.03 -1.00 0.41 0.00 0.00 173.24 172.65 3kpn s HIS 3 N -1.69 0.46 0.01 2.43 4.02 -0.48 -4.99 115.29 115.05 3kpn s HIS 3 Ca 0.42 -0.91 0.01 0.00 1.02 0.00 0.00 55.06 55.60 3kpn s HIS 3 Cb -0.12 -0.34 -0.01 0.00 -1.02 0.00 0.00 32.58 31.09 3kpn s HIS 3 CO 0.24 -0.32 -0.05 -1.54 1.02 0.00 0.00 174.74 174.09 3kpn s SER 4 N -2.51 0.55 -0.09 1.40 1.04 -1.26 0.09 113.70 112.91 3kpn s SER 4 Ca 0.01 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.21 3kpn s SER 4 Cb 0.03 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.14 3kpn s SER 4 CO -0.07 -0.07 -0.23 -0.32 0.98 0.00 0.00 173.24 173.52 3kpn s MET 5 N -0.72 2.95 0.01 4.02 0.00 -0.14 -0.38 119.30 125.04 3kpn s MET 5 Ca -0.04 -0.87 0.01 0.00 0.00 0.00 0.00 55.69 54.80 3kpn s MET 5 Cb -0.05 -2.30 -0.01 0.00 0.00 0.00 0.00 34.83 32.47 3kpn s MET 5 CO -0.00 0.24 -0.05 1.03 0.00 0.00 0.00 175.02 176.24 3kpn s ARG 6 N 0.20 0.38 -0.09 4.11 1.81 -0.29 -1.95 118.95 123.12 3kpn s ARG 6 Ca -0.14 -0.33 0.00 0.00 -1.72 0.00 0.00 55.73 53.54 3kpn s ARG 6 Cb -0.17 -0.28 -0.03 0.00 -0.45 0.00 0.00 34.95 34.02 3kpn s ARG 6 CO 0.07 0.07 -0.09 0.71 -0.68 0.00 0.00 175.30 175.39 3kpn s TYR 7 N -0.51 2.89 -0.16 -0.53 2.02 -0.44 -0.21 117.35 120.41 3kpn s TYR 7 Ca -0.03 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.51 3kpn s TYR 7 Cb -0.04 -1.76 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 3kpn s TYR 7 CO -0.00 0.15 -0.17 -0.06 -1.57 0.00 0.00 175.55 173.90 3kpn s PHE 8 N -0.39 2.45 -0.12 2.71 0.40 0.30 -2.09 117.98 121.24 3kpn s PHE 8 Ca 0.05 -1.38 -0.04 0.00 -0.60 0.00 0.00 56.93 54.96 3kpn s PHE 8 Cb -0.12 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 3kpn s PHE 8 CO 0.02 -0.70 0.05 0.71 0.70 0.00 0.00 175.22 176.00 3kpn s TYR 9 N 1.29 3.28 -0.09 0.36 1.51 0.11 -1.74 117.35 122.08 3kpn s TYR 9 Ca 0.03 0.23 0.02 0.00 -1.01 0.00 0.00 57.07 56.33 3kpn s TYR 9 Cb -0.13 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 3kpn s TYR 9 CO -0.10 0.45 -0.13 0.99 -1.11 0.00 0.00 175.55 175.65 3kpn s THR 10 N -0.61 1.28 -0.17 -0.71 2.01 -0.31 -1.58 115.64 115.55 3kpn s THR 10 Ca 0.11 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.59 3kpn s THR 10 Cb -0.12 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.24 3kpn s THR 10 CO 0.02 0.39 -0.12 0.00 -0.69 0.00 0.00 174.62 174.22 3kpn s ALA 11 N 0.94 1.91 -0.17 7.40 0.00 0.02 -1.18 121.76 130.67 3kpn s ALA 11 Ca -0.09 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3kpn s ALA 11 Cb -0.15 -1.15 0.03 0.00 0.00 0.00 0.00 23.12 21.85 3kpn s ALA 11 CO 0.00 -0.58 -0.11 1.41 0.00 0.00 0.00 175.76 176.49 3kpn s MET 12 N 1.45 2.00 0.53 0.00 1.75 -0.57 -0.40 119.30 124.06 3kpn s MET 12 Ca 0.02 -0.67 -0.17 0.00 -1.25 0.00 0.00 55.69 53.62 3kpn s MET 12 Cb -0.14 -2.21 -0.07 0.00 2.84 0.00 0.00 34.83 35.25 3kpn s MET 12 CO -0.10 -0.36 1.02 -1.54 -0.65 0.00 0.00 175.02 173.39 3kpn s SER 13 N 1.48 6.28 -0.45 1.11 1.04 0.12 -1.72 113.70 121.55 3kpn s SER 13 Ca 0.01 1.74 0.07 0.00 0.48 0.00 0.00 55.95 58.25 3kpn s SER 13 Cb -0.15 -2.53 0.22 0.00 0.10 0.00 0.00 66.02 63.67 3kpn s SER 13 CO -0.09 -0.82 0.67 -2.11 0.98 0.00 0.00 173.24 171.87 3kpn n ARG 14 N -1.56 0.63 -1.61 4.02 1.85 -1.26 -3.94 116.66 114.79 3kpn n ARG 14 Ca 0.08 -2.44 -0.48 0.00 -1.00 0.00 0.00 57.85 54.01 3kpn n ARG 14 Cb 0.53 -1.42 -0.04 0.00 -1.05 0.00 0.00 32.46 30.49 3kpn n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3kpn n PRO 15 N 1.97 1.42 -0.05 2.89 -0.02 -1.26 -0.73 135.00 139.22 3kpn n PRO 15 Ca 0.17 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3kpn n PRO 15 Cb 0.57 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3kpn n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpn n GLY 16 N 2.06 1.59 1.38 -1.23 0.00 -1.26 -4.87 105.19 102.85 3kpn n GLY 16 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 3kpn n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpn n ARG 17 N -2.00 1.30 0.00 1.61 1.74 0.09 -5.11 116.66 114.29 3kpn n ARG 17 Ca 0.00 -2.97 0.00 0.00 -0.77 0.00 0.00 57.85 54.11 3kpn n ARG 17 Cb 0.00 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3kpn n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kpn n GLY 18 N -0.42 -1.99 3.85 -0.13 0.00 -1.25 -4.93 105.19 100.32 3kpn n GLY 18 Ca 0.16 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 3kpn n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kpn s GLU 19 N -0.11 3.75 0.33 1.61 0.41 -1.26 -4.59 118.70 118.85 3kpn s GLU 19 Ca 0.00 0.89 -0.29 0.00 -0.41 0.00 0.00 54.97 55.16 3kpn s GLU 19 Cb 0.00 -2.10 -0.12 0.00 -1.78 0.00 0.00 34.13 30.13 3kpn s GLU 19 CO 0.00 -0.44 1.50 -2.30 -0.49 0.00 0.00 175.26 173.53 3kpn n PRO 20 N -2.10 2.58 -2.52 0.39 -0.02 -1.26 -4.81 135.00 127.26 3kpn n PRO 20 Ca 0.06 0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 62.04 3kpn n PRO 20 Cb 0.54 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 3kpn n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kpn s ARG 21 N -1.37 4.54 -0.12 -0.52 3.52 -0.70 -4.81 118.95 119.49 3kpn s ARG 21 Ca 0.58 1.69 0.02 0.00 -0.13 0.00 0.00 55.73 57.90 3kpn s ARG 21 Cb -0.51 -3.33 -0.00 0.00 -1.56 0.00 0.00 34.95 29.56 3kpn s ARG 21 CO 0.57 -0.05 -0.21 0.12 -0.81 0.00 0.00 175.30 174.93 3kpn s PHE 22 N 0.37 2.65 -0.01 5.12 5.36 -1.26 -1.52 117.98 128.69 3kpn s PHE 22 Ca 0.53 -1.03 0.04 0.00 -0.96 0.00 0.00 56.93 55.50 3kpn s PHE 22 Cb -0.28 -1.78 -0.01 0.00 -0.34 0.00 0.00 43.02 40.62 3kpn s PHE 22 CO 0.32 -0.43 -0.12 0.42 -1.46 0.00 0.00 175.22 173.95 3kpn s ILE 23 N 0.49 0.93 -0.05 3.12 1.01 -0.33 -0.37 121.20 126.01 3kpn s ILE 23 Ca -0.14 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3kpn s ILE 23 Cb -0.17 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.52 3kpn s ILE 23 CO 0.05 0.27 -0.13 -0.89 0.00 0.00 0.00 174.94 174.24 3kpn s THR 24 N -0.20 1.14 -0.03 2.92 2.01 0.16 -1.16 115.64 120.48 3kpn s THR 24 Ca 0.03 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.56 3kpn s THR 24 Cb -0.05 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 3kpn s THR 24 CO -0.00 0.35 -0.20 0.68 -0.69 0.00 0.00 174.62 174.76 3kpn s VAL 25 N 0.38 1.59 -0.02 3.82 -7.23 -0.71 -0.49 120.40 117.74 3kpn s VAL 25 Ca -0.09 -0.83 0.04 0.00 -1.81 0.00 0.00 61.98 59.28 3kpn s VAL 25 Cb -0.13 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 3kpn s VAL 25 CO 0.03 0.45 -0.12 -0.83 -0.31 0.00 0.00 175.10 174.32 3kpn s GLY 26 N -0.25 1.63 -0.01 2.32 0.00 -0.42 -0.54 107.32 110.04 3kpn s GLY 26 Ca 0.02 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 43.77 3kpn s GLY 26 CO 0.01 -0.84 -0.13 -0.19 0.00 0.00 0.00 173.10 171.95 3kpn s TYR 27 N -0.85 1.19 -0.24 1.90 1.51 0.70 -1.36 117.35 120.20 3kpn s TYR 27 Ca 0.14 -0.23 -0.07 0.00 -1.01 0.00 0.00 57.07 55.90 3kpn s TYR 27 Cb -0.11 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 40.95 3kpn s TYR 27 CO 0.03 -0.03 0.06 0.08 -1.11 0.00 0.00 175.55 174.58 3kpn s VAL 28 N -0.28 4.22 0.00 0.71 1.01 -0.58 -1.13 120.40 124.35 3kpn s VAL 28 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3kpn s VAL 28 Cb -0.05 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3kpn s VAL 28 CO -0.00 0.36 0.00 0.47 0.00 0.00 0.00 175.10 175.92 3kpn n ASP 29 N 4.82 0.00 -1.70 3.32 8.00 0.49 -0.95 116.55 130.53 3kpn n ASP 29 Ca -0.16 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.38 3kpn n ASP 29 Cb 0.51 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.95 3kpn n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kpn n ASP 30 N 3.49 4.95 -4.36 -2.24 8.00 -1.26 -4.88 116.55 120.25 3kpn n ASP 30 Ca 0.00 -2.82 -0.37 0.00 0.71 0.00 0.00 54.79 52.31 3kpn n ASP 30 Cb 0.00 -0.67 -0.13 0.00 -0.02 0.00 0.00 41.12 40.31 3kpn n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kpn s THR 31 N -2.51 4.03 0.07 -3.53 2.01 -0.12 -5.03 115.64 110.56 3kpn s THR 31 Ca 0.46 -0.59 -0.31 0.00 0.31 0.00 0.00 61.69 61.57 3kpn s THR 31 Cb 0.36 -3.04 -0.07 0.00 0.01 0.00 0.00 72.50 69.76 3kpn s THR 31 CO 0.13 0.13 1.41 -0.22 -0.69 0.00 0.00 174.62 175.39 3kpn s LEU 32 N 1.52 4.35 0.00 4.42 2.96 -1.26 -1.52 118.68 129.15 3kpn s LEU 32 Ca 0.03 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.20 3kpn s LEU 32 Cb -0.17 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.95 3kpn s LEU 32 CO 0.03 -0.70 0.00 2.22 -1.32 0.00 0.00 176.35 176.58 3kpn n PHE 33 N 4.62 0.00 -3.70 5.38 -1.74 -0.46 -4.16 117.46 117.39 3kpn n PHE 33 Ca 0.12 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.87 3kpn n PHE 33 Cb 0.43 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.34 3kpn n PHE 33 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3kpn s VAL 34 N -1.62 0.01 0.03 1.97 0.11 -1.23 -0.50 120.40 119.17 3kpn s VAL 34 Ca 0.00 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 3kpn s VAL 34 Cb 0.00 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 3kpn s VAL 34 CO 0.00 -0.06 -0.02 0.00 -3.33 0.00 0.00 175.10 171.68 3kpn s ARG 35 N -0.32 0.39 -0.01 1.54 1.70 -0.64 -1.30 118.95 120.30 3kpn s ARG 35 Ca -0.05 -0.74 -0.01 0.00 -0.47 0.00 0.00 55.73 54.47 3kpn s ARG 35 Cb -0.03 0.14 0.01 0.00 -0.57 0.00 0.00 34.95 34.49 3kpn s ARG 35 CO 0.03 -0.07 0.02 0.12 -1.08 0.00 0.00 175.30 174.32 3kpn s PHE 36 N -2.01 -0.01 -0.06 5.89 2.19 0.36 -0.26 117.98 124.08 3kpn s PHE 36 Ca -0.11 0.06 -0.02 0.00 0.33 0.00 0.00 56.93 57.19 3kpn s PHE 36 Cb -0.06 -0.03 0.04 0.00 -1.31 0.00 0.00 43.02 41.66 3kpn s PHE 36 CO -0.03 -0.02 0.07 0.34 1.83 0.00 0.00 175.22 177.41 3kpn s ASP 37 N 0.17 1.27 0.45 6.13 -1.08 -1.26 -0.67 116.67 121.68 3kpn s ASP 37 Ca -0.01 0.01 0.31 0.00 -0.52 0.00 0.00 52.55 52.33 3kpn s ASP 37 Cb -0.02 -0.12 1.54 0.00 -1.46 0.00 0.00 42.92 42.85 3kpn s ASP 37 CO -0.00 -0.26 1.93 0.77 0.52 0.00 0.00 175.17 178.13 3kpn h SER 38 N 8.43 0.00 0.19 -0.34 4.64 -1.10 -1.19 113.55 124.18 3kpn h SER 38 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3kpn h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3kpn h SER 38 CO 0.17 0.00 -0.10 0.47 -0.87 0.00 0.00 176.83 176.50 3kpn n ASP 39 N -2.63 0.83 -4.75 4.97 8.00 -1.26 -4.83 116.55 116.88 3kpn n ASP 39 Ca -0.01 -0.95 -0.34 0.00 0.71 0.00 0.00 54.79 54.20 3kpn n ASP 39 Cb 0.13 0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.30 3kpn n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kpn s ALA 40 N -2.30 2.33 0.19 2.24 0.00 -0.45 -4.93 121.76 118.85 3kpn s ALA 40 Ca 0.32 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 3kpn s ALA 40 Cb 0.20 -3.41 0.17 0.00 0.00 0.00 0.00 23.12 20.08 3kpn s ALA 40 CO 0.44 -1.50 1.81 1.15 0.00 0.00 0.00 175.76 177.66 3kpn h THR 41 N 0.09 1.01 -2.93 0.00 2.02 -1.91 -3.26 112.91 107.93 3kpn h THR 41 Ca -0.48 -0.23 -0.61 0.00 0.77 0.00 0.00 66.41 65.87 3kpn h THR 41 Cb 1.28 0.30 -0.40 0.00 -1.74 0.00 0.00 68.15 67.59 3kpn h THR 41 CO 0.52 0.12 -0.75 -0.44 0.37 0.00 0.00 175.52 175.35 3kpn s SER 42 N -5.60 3.53 0.16 4.18 0.01 -1.26 -5.10 113.70 109.62 3kpn s SER 42 Ca -0.13 -2.79 -0.33 0.00 1.31 0.00 0.00 55.95 54.01 3kpn s SER 42 Cb 0.15 -1.02 -0.12 0.00 0.21 0.00 0.00 66.02 65.23 3kpn s SER 42 CO 0.75 -0.24 1.71 -2.65 0.41 0.00 0.00 173.24 173.23 3kpn n PRO 43 N 3.31 2.57 -3.61 12.44 -0.02 -1.23 -4.97 135.00 143.50 3kpn n PRO 43 Ca 0.12 0.93 -0.11 0.00 -2.02 0.00 0.00 63.50 62.43 3kpn n PRO 43 Cb 0.36 -2.77 -0.04 0.00 -0.02 0.00 0.00 33.50 31.03 3kpn n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3kpn s ARG 44 N 1.55 1.12 0.08 -0.52 1.70 -1.26 -5.04 118.95 116.58 3kpn s ARG 44 Ca 0.78 -0.68 -0.31 0.00 -0.47 0.00 0.00 55.73 55.05 3kpn s ARG 44 Cb -0.56 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.23 3kpn s ARG 44 CO 0.36 -0.45 1.58 0.15 -1.08 0.00 0.00 175.30 175.86 3kpn s LYS 45 N -3.80 4.22 -0.05 3.89 -0.14 -1.26 -4.44 119.74 118.17 3kpn s LYS 45 Ca 0.03 2.26 0.07 0.00 -1.36 0.00 0.00 55.97 56.97 3kpn s LYS 45 Cb 0.01 -3.47 -0.01 0.00 -1.68 0.00 0.00 37.83 32.68 3kpn s LYS 45 CO -0.12 -0.66 -0.25 -1.21 -0.76 0.00 0.00 175.35 172.36 3kpn s GLU 46 N 2.15 2.40 0.37 1.68 2.02 0.64 -4.92 118.70 123.04 3kpn s GLU 46 Ca 0.71 -0.90 -0.26 0.00 0.02 0.00 0.00 54.97 54.54 3kpn s GLU 46 Cb -0.39 -2.10 -0.09 0.00 0.10 0.00 0.00 34.13 31.65 3kpn s GLU 46 CO 0.31 0.42 1.20 -1.25 0.02 0.00 0.00 175.26 175.97 3kpn s PRO 47 N -0.27 4.17 -0.01 0.39 0.04 -1.26 -1.62 135.00 136.43 3kpn s PRO 47 Ca -0.00 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.01 3kpn s PRO 47 Cb -0.13 -2.82 0.03 0.00 0.04 0.00 0.00 34.50 31.62 3kpn s PRO 47 CO 0.02 -0.25 0.80 0.54 0.04 0.00 0.00 177.00 178.15 3kpn n ARG 48 N 0.35 0.91 -3.78 4.56 5.12 0.35 -4.89 116.66 119.28 3kpn n ARG 48 Ca 0.03 -1.09 -0.13 0.00 -1.93 0.00 0.00 57.85 54.73 3kpn n ARG 48 Cb 0.45 -0.74 -0.10 0.00 -1.16 0.00 0.00 32.46 30.91 3kpn n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kpn s ALA 49 N -0.58 -0.70 0.28 7.54 0.00 -1.24 -4.62 121.76 122.44 3kpn s ALA 49 Ca 0.04 0.58 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 3kpn s ALA 49 Cb 0.03 -0.26 0.39 0.00 0.00 0.00 0.00 23.12 23.28 3kpn s ALA 49 CO 0.00 -0.18 1.95 -1.35 0.00 0.00 0.00 175.76 176.18 3kpn h PRO 50 N 5.00 1.16 0.00 0.00 0.11 -1.95 -2.62 132.00 133.70 3kpn h PRO 50 Ca -0.28 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kpn h PRO 50 Cb 1.19 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3kpn h PRO 50 CO 0.35 0.77 0.00 0.11 -0.21 0.00 0.00 178.00 179.02 3kpn h TRP 51 N 1.20 0.00 0.00 0.65 5.08 -1.98 -2.00 115.95 118.90 3kpn h TRP 51 Ca 0.34 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.31 3kpn h TRP 51 Cb -0.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.07 3kpn h TRP 51 CO -0.00 0.00 -0.59 0.97 -1.28 0.00 0.00 178.44 177.54 3kpn h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.81 -3.37 117.51 118.54 3kpn h ILE 52 Ca 0.00 -0.74 -0.03 0.00 -1.37 0.00 0.00 64.86 62.72 3kpn h ILE 52 Cb 0.26 1.40 -0.00 0.00 0.47 0.00 0.00 36.82 38.94 3kpn h ILE 52 CO 0.00 0.00 -0.14 -0.33 -3.07 0.00 0.00 178.15 174.61 3kpn h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.44 -2.26 114.58 118.15 3kpn h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kpn h GLU 53 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3kpn h GLU 53 CO 0.00 0.14 0.00 0.00 -1.00 0.00 0.00 179.01 178.15 3kpn n GLN 54 N -3.59 0.19 -1.95 2.33 10.64 -1.26 -4.71 117.38 119.03 3kpn n GLN 54 Ca -0.01 0.43 -0.42 0.00 -1.83 0.00 0.00 57.00 55.17 3kpn n GLN 54 Cb 0.27 -1.86 -0.03 0.00 -0.86 0.00 0.00 30.24 27.76 3kpn n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3kpn s GLU 55 N -3.32 4.23 1.03 2.61 0.41 -0.85 -4.97 118.70 117.83 3kpn s GLU 55 Ca 0.04 2.36 -0.13 0.00 -0.41 0.00 0.00 54.97 56.84 3kpn s GLU 55 Cb 0.09 -3.12 0.21 0.00 -1.78 0.00 0.00 34.13 29.53 3kpn s GLU 55 CO 0.38 -0.53 1.08 0.20 -0.49 0.00 0.00 175.26 175.91 3kpn s GLY 56 N 0.71 1.56 0.44 -1.39 0.00 -1.26 -4.83 107.32 102.55 3kpn s GLY 56 Ca 0.64 -0.35 0.20 0.00 0.00 0.00 0.00 44.72 45.21 3kpn s GLY 56 CO 0.39 0.29 1.88 -0.56 0.00 0.00 0.00 173.10 175.09 3kpn h PRO 57 N -2.03 0.32 -0.31 2.90 0.13 -1.95 -1.49 132.00 129.56 3kpn h PRO 57 Ca -0.56 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.40 3kpn h PRO 57 Cb 1.33 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3kpn h PRO 57 CO 0.57 0.21 -0.42 0.93 -0.23 0.00 0.00 178.00 179.06 3kpn h GLU 58 N 0.33 0.77 -0.27 0.86 3.07 -1.99 -1.77 114.58 115.58 3kpn h GLU 58 Ca 0.43 -0.41 0.06 0.00 -0.50 0.00 0.00 59.36 58.94 3kpn h GLU 58 Cb 1.17 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 29.04 3kpn h GLU 58 CO -0.13 1.04 -0.12 -0.92 -1.40 0.00 0.00 179.01 177.48 3kpn h TYR 59 N 0.63 -0.30 -0.26 4.33 3.20 -1.61 0.06 116.97 123.02 3kpn h TYR 59 Ca 0.05 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 3kpn h TYR 59 Cb 0.98 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 3kpn h TYR 59 CO 0.05 -0.19 -0.30 -1.49 -1.64 0.00 0.00 178.16 174.59 3kpn h TRP 60 N -0.08 0.60 0.31 -3.82 4.06 -1.39 0.06 115.95 115.69 3kpn h TRP 60 Ca 0.14 -0.14 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3kpn h TRP 60 Cb 0.30 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 3kpn h TRP 60 CO -0.31 0.77 -0.15 -0.44 -3.56 0.00 0.00 178.44 174.75 3kpn h ASP 61 N 0.46 -0.36 -0.22 -3.49 3.32 -1.12 -0.67 116.42 114.34 3kpn h ASP 61 Ca 0.06 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3kpn h ASP 61 Cb 0.75 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3kpn h ASP 61 CO 0.06 -0.23 0.12 -0.09 -1.72 0.00 0.00 179.24 177.38 3kpn h ARG 62 N -0.45 0.31 -0.73 3.56 2.43 -0.74 -0.28 114.38 118.48 3kpn h ARG 62 Ca -0.04 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3kpn h ARG 62 Cb 0.34 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 3kpn h ARG 62 CO 0.07 0.29 0.43 0.93 -1.51 0.00 0.00 179.97 180.18 3kpn h GLU 63 N 0.25 1.00 -0.52 0.20 4.39 -1.04 -2.12 114.58 116.73 3kpn h GLU 63 Ca 0.08 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 3kpn h GLU 63 Cb 0.07 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 3kpn h GLU 63 CO -0.01 0.72 0.17 1.15 -1.16 0.00 0.00 179.01 179.88 3kpn h THR 64 N 1.00 1.23 -0.45 1.13 2.02 -0.87 -2.48 112.91 114.49 3kpn h THR 64 Ca 0.26 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.63 3kpn h THR 64 Cb -0.02 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3kpn h THR 64 CO -0.05 0.28 0.09 -0.61 0.37 0.00 0.00 175.52 175.60 3kpn h GLN 65 N 0.72 0.69 0.23 6.66 5.75 -0.78 -0.63 115.11 127.74 3kpn h GLN 65 Ca 0.17 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 3kpn h GLN 65 Cb 0.26 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 3kpn h GLN 65 CO -0.01 0.64 -0.12 0.82 -2.65 0.00 0.00 178.83 177.51 3kpn h ILE 66 N 0.67 0.74 -0.86 2.39 2.04 -1.20 -0.92 117.51 120.37 3kpn h ILE 66 Ca 0.15 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 3kpn h ILE 66 Cb 0.28 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3kpn h ILE 66 CO 0.00 0.00 0.52 0.28 0.00 0.00 0.00 178.15 178.95 3kpn h SER 67 N -0.33 1.04 -0.40 1.72 0.02 -1.06 0.16 113.55 114.69 3kpn h SER 67 Ca -0.03 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 3kpn h SER 67 Cb 0.26 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3kpn h SER 67 CO 0.04 0.80 -0.04 0.11 -1.14 0.00 0.00 176.83 176.60 3kpn h LYS 68 N 1.19 0.73 -0.44 3.45 1.57 -0.99 -0.31 116.57 121.77 3kpn h LYS 68 Ca 0.31 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3kpn h LYS 68 Cb -0.05 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3kpn h LYS 68 CO -0.06 0.84 0.08 1.15 -0.57 0.00 0.00 179.45 180.89 3kpn h THR 69 N 0.55 1.24 -0.79 -0.16 2.02 -0.95 -2.93 112.91 111.90 3kpn h THR 69 Ca 0.11 -0.88 0.11 0.00 0.77 0.00 0.00 66.41 66.52 3kpn h THR 69 Cb 0.53 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 3kpn h THR 69 CO 0.03 0.31 0.51 0.78 0.37 0.00 0.00 175.52 177.52 3kpn h ASN 70 N 0.59 0.62 -0.91 4.18 -0.26 -0.54 -1.05 115.58 118.19 3kpn h ASN 70 Ca 0.13 0.02 0.10 0.00 -0.56 0.00 0.00 56.30 56.00 3kpn h ASN 70 Cb 0.37 -0.11 -0.08 0.00 -1.06 0.00 0.00 38.32 37.45 3kpn h ASN 70 CO 0.01 0.36 0.55 0.74 -1.06 0.00 0.00 177.43 178.03 3kpn h THR 71 N 0.68 0.93 0.06 2.81 2.02 -0.86 -0.30 112.91 118.25 3kpn h THR 71 Ca 0.37 -0.31 -0.25 0.00 0.77 0.00 0.00 66.41 66.99 3kpn h THR 71 Cb 0.51 -0.06 0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3kpn h THR 71 CO -0.14 0.17 -1.00 1.56 0.37 0.00 0.00 175.52 176.47 3kpn h GLN 72 N 0.91 0.57 -0.23 6.66 1.08 -1.27 -2.87 115.11 119.96 3kpn h GLN 72 Ca 0.44 -0.70 0.05 0.00 -1.45 0.00 0.00 58.65 57.00 3kpn h GLN 72 Cb 0.40 0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.99 3kpn h GLN 72 CO -0.25 1.29 -0.11 1.15 -0.95 0.00 0.00 178.83 179.96 3kpn h THR 73 N 0.16 0.64 0.00 -0.54 2.02 -0.85 -2.02 112.91 112.33 3kpn h THR 73 Ca -0.14 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 3kpn h THR 73 Cb 1.69 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 3kpn h THR 73 CO 0.19 0.00 -0.35 1.88 0.37 0.00 0.00 175.52 177.62 3kpn h TYR 74 N -0.08 0.00 -0.43 3.16 0.05 -1.14 -0.71 116.97 117.81 3kpn h TYR 74 Ca 0.12 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.77 3kpn h TYR 74 Cb 0.27 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 3kpn h TYR 74 CO -0.28 0.35 -0.24 0.00 -1.05 0.00 0.00 178.16 176.94 3kpn h ARG 75 N 0.00 0.92 -0.06 4.88 3.08 -1.26 -1.34 114.38 120.60 3kpn h ARG 75 Ca -0.00 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.63 3kpn h ARG 75 Cb 0.91 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 3kpn h ARG 75 CO 0.05 1.07 0.03 1.49 -1.07 0.00 0.00 179.97 181.54 3kpn h GLU 76 N 0.75 0.08 -0.73 0.04 4.81 -1.03 -2.50 114.58 116.01 3kpn h GLU 76 Ca 0.09 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.48 3kpn h GLU 76 Cb 0.81 -0.02 -0.11 0.00 0.63 0.00 0.00 28.75 30.06 3kpn h GLU 76 CO 0.07 0.11 0.13 -0.91 -0.73 0.00 0.00 179.01 177.68 3kpn h ASN 77 N 0.03 -0.08 -0.71 1.04 -0.26 -1.06 0.21 115.58 114.76 3kpn h ASN 77 Ca 0.02 0.16 0.01 0.00 -0.56 0.00 0.00 56.30 55.93 3kpn h ASN 77 Cb 0.05 0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 37.51 3kpn h ASN 77 CO -0.00 -0.08 0.47 -0.07 -1.06 0.00 0.00 177.43 176.69 3kpn h LEU 78 N 0.22 0.81 -0.70 1.61 3.38 -1.12 0.23 115.31 119.73 3kpn h LEU 78 Ca 0.41 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.28 3kpn h LEU 78 Cb 0.71 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3kpn h LEU 78 CO -0.54 0.58 0.11 0.03 0.09 0.00 0.00 178.44 178.71 3kpn h ARG 79 N 0.95 1.11 -0.26 1.13 3.08 -0.81 -2.10 114.38 117.48 3kpn h ARG 79 Ca 0.26 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3kpn h ARG 79 Cb -0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3kpn h ARG 79 CO -0.06 1.01 -0.04 1.15 -1.07 0.00 0.00 179.97 180.96 3kpn h THR 80 N 1.04 1.28 -0.81 2.04 2.02 -0.15 -2.71 112.91 115.61 3kpn h THR 80 Ca 0.20 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.37 3kpn h THR 80 Cb 0.44 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 3kpn h THR 80 CO 0.01 0.32 0.53 0.00 0.37 0.00 0.00 175.52 176.76 3kpn h ALA 81 N 0.78 1.04 -0.65 6.16 0.00 -0.51 -0.84 119.26 125.24 3kpn h ALA 81 Ca 0.07 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.07 3kpn h ALA 81 Cb 0.50 -0.31 -0.11 0.00 0.00 0.00 0.00 17.79 17.87 3kpn h ALA 81 CO 0.02 0.41 0.05 -0.07 0.00 0.00 0.00 179.25 179.66 3kpn h LEU 82 N 1.07 -0.19 -0.28 0.00 3.38 -1.32 -2.00 115.31 115.97 3kpn h LEU 82 Ca 0.31 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.38 3kpn h LEU 82 Cb -0.08 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kpn h LEU 82 CO -0.08 -0.09 -0.03 0.03 0.09 0.00 0.00 178.44 178.36 3kpn h ARG 83 N 0.16 0.51 0.00 1.13 3.08 -0.92 -0.80 114.38 117.54 3kpn h ARG 83 Ca 0.35 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 3kpn h ARG 83 Cb 0.58 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3kpn h ARG 83 CO -0.52 0.69 -0.10 1.88 -1.07 0.00 0.00 179.97 180.85 3kpn h TYR 84 N 0.28 0.00 -0.39 3.04 -1.99 -0.90 -2.23 116.97 114.78 3kpn h TYR 84 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 3kpn h TYR 84 Cb 0.48 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.21 3kpn h TYR 84 CO 0.04 0.10 0.00 0.66 -0.00 0.00 0.00 178.16 178.96 3kpn n TYR 85 N -3.55 0.52 -3.74 4.88 4.01 -0.78 -4.76 117.16 113.74 3kpn n TYR 85 Ca -0.02 -0.45 -0.26 0.00 -0.16 0.00 0.00 57.90 57.01 3kpn n TYR 85 Cb 0.23 -0.02 0.05 0.00 -0.31 0.00 0.00 39.34 39.29 3kpn n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3kpn n ASN 86 N 0.76 -4.37 -4.92 7.72 3.02 -0.84 -4.96 115.26 111.67 3kpn n ASN 86 Ca 0.14 -0.70 -0.30 0.00 -0.03 0.00 0.00 54.58 53.69 3kpn n ASN 86 Cb 0.46 -4.38 -0.04 0.00 -0.61 0.00 0.00 39.78 35.21 3kpn n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kpn s GLN 87 N -6.29 3.45 0.72 3.52 -0.21 -0.35 -5.05 119.66 115.44 3kpn s GLN 87 Ca 0.46 -0.46 -0.12 0.00 0.02 0.00 0.00 55.36 55.26 3kpn s GLN 87 Cb -0.22 -3.01 0.03 0.00 1.00 0.00 0.00 33.01 30.81 3kpn s GLN 87 CO 0.79 0.58 1.09 -1.54 -2.12 0.00 0.00 175.29 174.09 3kpn s SER 88 N -2.67 4.85 0.00 5.90 1.04 -1.26 -4.77 113.70 116.79 3kpn s SER 88 Ca 0.35 1.88 0.29 0.00 0.48 0.00 0.00 55.95 58.95 3kpn s SER 88 Cb -0.13 -2.53 1.57 0.00 0.10 0.00 0.00 66.02 65.03 3kpn s SER 88 CO 0.28 -1.80 2.03 -0.62 0.98 0.00 0.00 173.24 174.11 3kpn n GLU 89 N -3.00 1.18 0.14 4.02 1.02 -1.26 -3.83 120.64 118.91 3kpn n GLU 89 Ca 0.09 -0.26 0.11 0.00 -0.02 0.00 0.00 57.16 57.08 3kpn n GLU 89 Cb 0.53 -1.47 0.06 0.00 -0.02 0.00 0.00 31.44 30.54 3kpn n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kpn h ALA 90 N 4.03 0.70 -2.38 0.62 0.00 -2.00 -3.45 119.26 116.79 3kpn h ALA 90 Ca 0.00 -0.07 -0.51 0.00 0.00 0.00 0.00 54.91 54.33 3kpn h ALA 90 Cb 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kpn h ALA 90 CO 0.00 0.08 -0.08 0.20 0.00 0.00 0.00 179.25 179.45 3kpn s GLY 91 N -4.34 1.80 -0.07 0.00 0.00 -1.25 -4.73 107.32 98.73 3kpn s GLY 91 Ca 0.02 -0.53 -0.19 0.00 0.00 0.00 0.00 44.72 44.02 3kpn s GLY 91 CO 0.74 -0.41 0.53 -0.45 0.00 0.00 0.00 173.10 173.52 3kpn s SER 92 N -3.31 6.81 0.12 1.64 0.15 -1.26 -4.60 113.70 113.24 3kpn s SER 92 Ca 0.45 0.97 0.02 0.00 0.70 0.00 0.00 55.95 58.09 3kpn s SER 92 Cb -0.10 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 3kpn s SER 92 CO 0.32 0.04 -0.06 -1.00 1.20 0.00 0.00 173.24 173.73 3kpn s HIS 93 N 0.29 1.01 -0.04 3.44 3.76 -1.25 -4.96 115.29 117.54 3kpn s HIS 93 Ca 0.29 -0.90 0.02 0.00 -0.15 0.00 0.00 55.06 54.31 3kpn s HIS 93 Cb -0.16 -0.57 0.02 0.00 1.11 0.00 0.00 32.58 32.98 3kpn s HIS 93 CO 0.13 -0.11 -0.06 0.42 -0.85 0.00 0.00 174.74 174.27 3kpn s ILE 94 N -3.57 0.61 -0.09 0.60 1.01 -1.26 -0.70 121.20 117.80 3kpn s ILE 94 Ca 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 3kpn s ILE 94 Cb 0.05 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 3kpn s ILE 94 CO -0.03 0.23 -0.06 -0.63 0.00 0.00 0.00 174.94 174.45 3kpn s ILE 95 N 0.64 3.72 0.09 2.92 1.01 0.46 -0.09 121.20 129.94 3kpn s ILE 95 Ca -0.09 -0.46 0.09 0.00 0.00 0.00 0.00 60.65 60.20 3kpn s ILE 95 Cb -0.12 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3kpn s ILE 95 CO 0.01 0.57 -0.25 -1.10 0.00 0.00 0.00 174.94 174.17 3kpn s GLN 96 N -0.51 1.49 -0.01 2.79 -0.21 -0.23 -0.80 119.66 122.18 3kpn s GLN 96 Ca 0.08 -1.18 0.00 0.00 0.02 0.00 0.00 55.36 54.28 3kpn s GLN 96 Cb -0.12 -1.80 0.01 0.00 1.00 0.00 0.00 33.01 32.11 3kpn s GLN 96 CO 0.02 0.44 0.00 0.50 -2.12 0.00 0.00 175.29 174.14 3kpn s ARG 97 N -1.63 0.10 -0.03 2.91 3.52 -0.62 -0.44 118.95 122.75 3kpn s ARG 97 Ca 0.11 0.06 0.03 0.00 -0.13 0.00 0.00 55.73 55.80 3kpn s ARG 97 Cb -0.10 -0.23 -0.00 0.00 -1.56 0.00 0.00 34.95 33.06 3kpn s ARG 97 CO 0.04 -0.07 -0.13 0.00 -0.81 0.00 0.00 175.30 174.33 3kpn s MET 98 N 0.55 1.35 0.12 5.12 0.23 -0.69 0.09 119.30 126.07 3kpn s MET 98 Ca -0.05 -0.45 -0.11 0.00 -1.03 0.00 0.00 55.69 54.05 3kpn s MET 98 Cb -0.07 -1.21 0.01 0.00 -1.53 0.00 0.00 34.83 32.02 3kpn s MET 98 CO -0.01 0.18 0.28 1.52 -2.03 0.00 0.00 175.02 174.95 3kpn s TYR 99 N 0.11 0.10 -5.00 3.16 1.13 -0.89 -1.20 117.35 114.77 3kpn s TYR 99 Ca -0.03 -0.49 0.00 0.00 -1.41 0.00 0.00 57.07 55.14 3kpn s TYR 99 Cb -0.10 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.80 3kpn s TYR 99 CO 0.01 -0.64 0.00 0.41 -2.51 0.00 0.00 175.55 172.82 3kpn n GLY 100 N -0.15 0.28 2.97 5.49 0.00 -0.62 -1.33 105.19 111.83 3kpn n GLY 100 Ca -0.13 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 3kpn n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpn s ASP 102 N -1.00 5.60 0.17 0.00 1.01 -0.17 -0.97 116.67 121.33 3kpn s ASP 102 Ca -0.09 0.24 0.09 0.00 0.71 0.00 0.00 52.55 53.49 3kpn s ASP 102 Cb -0.07 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 3kpn s ASP 102 CO -0.00 0.37 -0.18 0.68 0.21 0.00 0.00 175.17 176.25 3kpn s VAL 103 N -0.84 1.84 0.82 -1.27 -7.23 0.11 0.30 120.40 114.14 3kpn s VAL 103 Ca 0.13 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.27 3kpn s VAL 103 Cb -0.12 -1.89 0.17 0.00 0.56 0.00 0.00 36.38 35.11 3kpn s VAL 103 CO 0.03 -0.35 1.12 0.61 -0.31 0.00 0.00 175.10 176.20 3kpn n GLY 104 N 0.19 -0.16 0.39 2.32 0.00 -0.47 -1.39 105.19 106.08 3kpn n GLY 104 Ca -0.12 -1.91 0.19 0.00 0.00 0.00 0.00 46.02 44.18 3kpn n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kpn h PRO 105 N 0.00 0.20 -0.00 1.61 0.11 -1.89 -0.23 132.00 131.80 3kpn h PRO 105 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kpn h PRO 105 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kpn h PRO 105 CO 0.33 0.13 -0.01 -0.40 -0.21 0.00 0.00 178.00 177.84 3kpn n ASP 106 N -4.42 0.43 0.00 -2.05 5.75 -1.26 -4.82 116.55 110.19 3kpn n ASP 106 Ca 0.13 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 3kpn n ASP 106 Cb 0.62 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 3kpn n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kpn n GLY 107 N 1.09 0.78 3.80 6.12 0.00 -0.10 -5.04 105.19 111.84 3kpn n GLY 107 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3kpn n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kpn s ARG 108 N -0.37 4.34 -0.21 1.61 0.52 -1.26 -4.76 118.95 118.82 3kpn s ARG 108 Ca 0.00 0.94 -0.38 0.00 -0.52 0.00 0.00 55.73 55.78 3kpn s ARG 108 Cb 0.00 -3.04 -0.14 0.00 0.52 0.00 0.00 34.95 32.29 3kpn s ARG 108 CO 0.00 0.48 1.82 -0.11 0.02 0.00 0.00 175.30 177.51 3kpn n LEU 109 N 1.11 2.79 -0.06 2.53 7.94 -1.26 -1.36 117.00 128.69 3kpn n LEU 109 Ca -0.04 1.00 -0.20 0.00 -1.11 0.00 0.00 56.01 55.66 3kpn n LEU 109 Cb 0.50 -1.23 -0.13 0.00 0.53 0.00 0.00 43.42 43.09 3kpn n LEU 109 CO 0.44 -0.29 -0.28 -0.07 -1.11 0.00 0.00 177.39 176.07 3kpn h LEU 110 N 8.27 0.12 -7.00 -1.96 3.38 -0.47 -3.46 115.31 114.19 3kpn h LEU 110 Ca -0.46 -0.74 0.13 0.00 0.09 0.00 0.00 57.88 56.90 3kpn h LEU 110 Cb 1.30 -0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.83 3kpn h LEU 110 CO 0.96 1.42 0.58 0.00 0.09 0.00 0.00 178.44 181.49 3kpn s ARG 111 N -2.37 0.64 0.25 1.13 1.70 -1.13 -5.00 118.95 114.16 3kpn s ARG 111 Ca -0.24 -0.12 0.08 0.00 -0.47 0.00 0.00 55.73 54.99 3kpn s ARG 111 Cb 0.03 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 3kpn s ARG 111 CO 0.67 -0.26 0.09 0.20 -1.08 0.00 0.00 175.30 174.93 3kpn s GLY 112 N -1.96 1.56 0.04 3.88 0.00 -1.26 -1.00 107.32 108.58 3kpn s GLY 112 Ca 0.04 -1.50 0.03 0.00 0.00 0.00 0.00 44.72 43.29 3kpn s GLY 112 CO -0.05 -1.55 -0.10 -0.19 0.00 0.00 0.00 173.10 171.21 3kpn s TYR 113 N -2.15 0.87 -0.32 1.90 1.51 1.00 -4.81 117.35 115.34 3kpn s TYR 113 Ca 0.32 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 56.05 3kpn s TYR 113 Cb -0.07 -0.52 0.19 0.00 -0.11 0.00 0.00 41.96 41.45 3kpn s TYR 113 CO 0.22 -0.02 0.63 0.34 -1.11 0.00 0.00 175.55 175.61 3kpn s ASP 114 N -1.21 -1.54 -0.04 2.29 -1.08 -1.26 -1.59 116.67 112.24 3kpn s ASP 114 Ca -0.03 -0.07 0.05 0.00 -0.52 0.00 0.00 52.55 51.98 3kpn s ASP 114 Cb -0.08 1.96 -0.01 0.00 -1.46 0.00 0.00 42.92 43.33 3kpn s ASP 114 CO 0.01 -0.25 -0.19 -1.10 0.52 0.00 0.00 175.17 174.15 3kpn s GLN 115 N 2.57 1.90 0.06 4.34 -0.21 -0.34 -0.33 119.66 127.65 3kpn s GLN 115 Ca 0.12 -0.68 0.06 0.00 0.02 0.00 0.00 55.36 54.88 3kpn s GLN 115 Cb -0.08 -1.67 -0.04 0.00 1.00 0.00 0.00 33.01 32.22 3kpn s GLN 115 CO -0.21 0.30 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.63 3kpn s ASP 116 N -0.09 4.24 0.04 5.90 1.11 0.12 -1.70 116.67 126.29 3kpn s ASP 116 Ca -0.02 -0.35 0.04 0.00 0.18 0.00 0.00 52.55 52.41 3kpn s ASP 116 Cb -0.11 -0.81 -0.02 0.00 1.07 0.00 0.00 42.92 43.04 3kpn s ASP 116 CO 0.02 0.23 -0.12 0.00 1.18 0.00 0.00 175.17 176.48 3kpn s ALA 117 N -1.06 0.99 -0.14 5.23 0.00 0.41 -0.85 121.76 126.34 3kpn s ALA 117 Ca 0.18 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.38 3kpn s ALA 117 Cb -0.11 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3kpn s ALA 117 CO 0.09 0.16 -0.20 -0.47 0.00 0.00 0.00 175.76 175.34 3kpn s TYR 118 N -0.93 2.51 -1.42 0.00 5.04 0.38 -1.06 117.35 121.87 3kpn s TYR 118 Ca -0.01 -1.28 -0.10 0.00 -2.44 0.00 0.00 57.07 53.23 3kpn s TYR 118 Cb -0.08 -1.73 0.07 0.00 0.35 0.00 0.00 41.96 40.57 3kpn s TYR 118 CO 0.01 -0.61 0.65 -0.25 -1.34 0.00 0.00 175.55 174.02 3kpn n ASP 119 N 4.18 -4.37 0.00 4.32 8.00 0.87 -1.46 116.55 128.09 3kpn n ASP 119 Ca -0.20 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.79 3kpn n ASP 119 Cb 0.51 -3.56 0.00 0.00 -0.02 0.00 0.00 41.12 38.06 3kpn n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpn n GLY 120 N -1.38 1.03 3.83 0.44 0.00 -1.26 -5.03 105.19 102.83 3kpn n GLY 120 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3kpn n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpn s LYS 121 N -0.04 3.28 0.17 1.61 1.02 -0.53 -5.06 119.74 120.19 3kpn s LYS 121 Ca 0.00 -0.29 -0.32 0.00 0.02 0.00 0.00 55.97 55.37 3kpn s LYS 121 Cb 0.00 -3.03 -0.16 0.00 -0.52 0.00 0.00 37.83 34.12 3kpn s LYS 121 CO 0.00 0.72 1.07 -0.25 -0.92 0.00 0.00 175.35 175.96 3kpn n ASP 122 N 1.61 0.93 0.00 2.83 9.92 -1.26 -0.47 116.55 130.11 3kpn n ASP 122 Ca -0.16 1.15 -0.00 0.00 -0.53 0.00 0.00 54.79 55.24 3kpn n ASP 122 Cb 0.54 -1.17 -0.00 0.00 -0.64 0.00 0.00 41.12 39.85 3kpn n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kpn n TYR 123 N 1.21 0.00 -3.87 1.24 9.36 -0.03 -4.63 117.16 120.44 3kpn n TYR 123 Ca 0.15 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.26 3kpn n TYR 123 Cb 0.24 -0.02 -0.11 0.00 -0.63 0.00 0.00 39.34 38.82 3kpn n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3kpn s ILE 124 N -1.17 0.06 -0.07 2.97 2.07 -1.15 -1.19 121.20 122.72 3kpn s ILE 124 Ca -0.01 -0.52 -0.05 0.00 -1.41 0.00 0.00 60.65 58.66 3kpn s ILE 124 Cb 0.00 -0.35 0.03 0.00 0.13 0.00 0.00 42.46 42.27 3kpn s ILE 124 CO 0.02 -0.28 0.18 0.00 -1.91 0.00 0.00 174.94 172.94 3kpn s ALA 125 N -0.98 -0.40 0.13 1.50 0.00 -0.64 0.14 121.76 121.50 3kpn s ALA 125 Ca -0.11 0.62 -0.31 0.00 0.00 0.00 0.00 51.96 52.16 3kpn s ALA 125 Cb -0.06 -0.38 -0.08 0.00 0.00 0.00 0.00 23.12 22.60 3kpn s ALA 125 CO 0.01 -0.12 1.39 -1.17 0.00 0.00 0.00 175.76 175.87 3kpn s LEU 126 N 0.56 4.38 0.87 0.00 2.96 0.55 -1.03 118.68 126.97 3kpn s LEU 126 Ca -0.04 2.35 -0.11 0.00 -0.22 0.00 0.00 54.13 56.11 3kpn s LEU 126 Cb -0.05 -3.59 0.11 0.00 0.50 0.00 0.00 46.19 43.16 3kpn s LEU 126 CO -0.03 -0.65 1.09 0.20 -1.32 0.00 0.00 176.35 175.65 3kpn s ASN 127 N 1.00 3.70 0.51 3.68 0.01 0.04 -4.55 114.94 119.34 3kpn s ASN 127 Ca 0.64 1.53 0.17 0.00 -0.71 0.00 0.00 52.86 54.49 3kpn s ASN 127 Cb -0.37 -2.22 1.26 0.00 0.41 0.00 0.00 41.25 40.33 3kpn s ASN 127 CO 0.31 -2.50 2.10 -0.08 -1.51 0.00 0.00 177.10 175.43 3kpn h GLU 128 N -1.45 0.05 0.00 -0.60 4.81 -1.88 -0.37 114.58 115.14 3kpn h GLU 128 Ca -0.48 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3kpn h GLU 128 Cb 1.27 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3kpn h GLU 128 CO 0.54 0.04 0.00 -0.40 -0.73 0.00 0.00 179.01 178.46 3kpn n ASP 129 N -4.50 0.35 -1.99 1.04 5.68 -1.26 -4.76 116.55 111.11 3kpn n ASP 129 Ca 0.01 0.64 -0.20 0.00 -0.50 0.00 0.00 54.79 54.74 3kpn n ASP 129 Cb 0.21 -0.69 -0.05 0.00 -1.14 0.00 0.00 41.12 39.45 3kpn n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kpn n LEU 130 N -1.94 -1.65 0.00 -2.12 4.77 -0.15 -4.79 117.00 111.12 3kpn n LEU 130 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3kpn n LEU 130 Cb 0.07 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.36 3kpn n LEU 130 CO 0.09 -0.62 -0.18 -1.20 -1.33 0.00 0.00 177.39 174.15 3kpn n SER 131 N -1.62 1.76 -4.08 -1.43 7.64 -1.26 -4.43 113.62 110.19 3kpn n SER 131 Ca -0.22 -0.01 -0.15 0.00 1.01 0.00 0.00 58.87 59.51 3kpn n SER 131 Cb 0.67 0.37 -0.10 0.00 -1.01 0.00 0.00 64.21 64.14 3kpn n SER 131 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kpn s SER 132 N -0.72 0.69 0.14 6.43 1.04 -1.26 -4.88 113.70 115.14 3kpn s SER 132 Ca 0.00 -1.46 0.08 0.00 0.48 0.00 0.00 55.95 55.06 3kpn s SER 132 Cb 0.00 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 3kpn s SER 132 CO 0.00 -0.86 -0.20 0.26 0.98 0.00 0.00 173.24 173.43 3kpn s TRP 133 N -3.93 1.83 -0.25 5.02 0.52 -1.26 -0.78 118.94 120.09 3kpn s TRP 133 Ca 0.39 -0.44 -0.04 0.00 0.02 0.00 0.00 56.10 56.02 3kpn s TRP 133 Cb 0.06 -0.95 0.00 0.00 -1.15 0.00 0.00 33.47 31.43 3kpn s TRP 133 CO 0.15 0.28 -0.02 0.99 0.02 0.00 0.00 176.95 178.37 3kpn s THR 134 N -1.61 3.40 -0.17 2.01 2.01 -0.19 -4.88 115.64 116.21 3kpn s THR 134 Ca 0.11 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 3kpn s THR 134 Cb -0.08 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 3kpn s THR 134 CO 0.06 0.28 0.21 0.00 -0.69 0.00 0.00 174.62 174.48 3kpn s ALA 135 N 1.45 3.66 -0.08 7.40 0.00 -1.26 -1.63 121.76 131.30 3kpn s ALA 135 Ca 0.04 -0.56 0.22 0.00 0.00 0.00 0.00 51.96 51.66 3kpn s ALA 135 Cb -0.16 -2.26 0.60 0.00 0.00 0.00 0.00 23.12 21.31 3kpn s ALA 135 CO -0.02 0.18 1.69 0.00 0.00 0.00 0.00 175.76 177.61 3kpn h ALA 136 N 6.45 0.92 -2.82 0.00 0.00 -1.41 -3.46 119.26 118.93 3kpn h ALA 136 Ca -0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 3kpn h ALA 136 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kpn h ALA 136 CO 0.74 0.28 0.20 -0.40 0.00 0.00 0.00 179.25 180.07 3kpn n ASP 137 N -3.25 -1.77 0.22 0.00 5.68 -1.26 -5.02 116.55 111.15 3kpn n ASP 137 Ca 0.02 -2.26 0.08 0.00 -0.50 0.00 0.00 54.79 52.13 3kpn n ASP 137 Cb 0.52 2.97 0.49 0.00 -1.14 0.00 0.00 41.12 43.96 3kpn n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3kpn h THR 138 N 1.78 0.77 0.08 2.12 1.35 -1.99 -0.67 112.91 116.36 3kpn h THR 138 Ca -0.26 -1.09 -0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3kpn h THR 138 Cb 0.97 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3kpn h THR 138 CO 0.33 0.26 -0.04 0.00 -0.25 0.00 0.00 175.52 175.82 3kpn h ALA 139 N 1.74 -0.11 0.00 6.62 0.00 -1.97 -3.16 119.26 122.38 3kpn h ALA 139 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3kpn h ALA 139 Cb 0.66 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3kpn h ALA 139 CO 0.03 -0.39 -0.14 0.00 0.00 0.00 0.00 179.25 178.75 3kpn h ALA 140 N 0.43 1.45 0.00 0.00 0.00 -1.75 -1.79 119.26 117.60 3kpn h ALA 140 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3kpn h ALA 140 Cb 0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kpn h ALA 140 CO 0.02 0.18 -0.08 1.96 0.00 0.00 0.00 179.25 181.33 3kpn h GLN 141 N 0.00 0.00 -0.14 0.00 4.20 -1.11 0.13 115.11 118.19 3kpn h GLN 141 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3kpn h GLN 141 Cb 0.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 3kpn h GLN 141 CO 0.02 0.08 -0.05 0.82 -0.67 0.00 0.00 178.83 179.03 3kpn h ILE 142 N 0.00 1.30 -0.63 2.54 1.08 -1.29 -1.97 117.51 118.55 3kpn h ILE 142 Ca -0.00 -1.05 0.02 0.00 -0.39 0.00 0.00 64.86 63.44 3kpn h ILE 142 Cb 0.16 1.70 -0.04 0.00 -3.07 0.00 0.00 36.82 35.58 3kpn h ILE 142 CO 0.01 0.31 0.40 0.74 -0.69 0.00 0.00 178.15 178.91 3kpn h THR 143 N -0.04 1.11 -0.25 -0.27 2.02 -1.43 -2.23 112.91 111.82 3kpn h THR 143 Ca 0.03 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 66.99 3kpn h THR 143 Cb 0.50 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 3kpn h THR 143 CO 0.02 0.14 -0.08 -0.61 0.37 0.00 0.00 175.52 175.37 3kpn h GLN 144 N 0.79 -0.02 -0.60 6.66 4.15 -0.69 0.73 115.11 126.13 3kpn h GLN 144 Ca 0.24 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.74 3kpn h GLN 144 Cb -0.02 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.61 3kpn h GLN 144 CO -0.08 -0.01 0.27 0.00 -1.93 0.00 0.00 178.83 177.08 3kpn h ARG 145 N -0.02 0.49 -0.74 1.69 3.08 -1.14 0.21 114.38 117.95 3kpn h ARG 145 Ca 0.12 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3kpn h ARG 145 Cb 0.21 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3kpn h ARG 145 CO -0.27 0.32 0.21 0.87 -1.07 0.00 0.00 179.97 180.04 3kpn h LYS 146 N 0.50 1.16 0.02 0.04 1.57 -0.78 -0.94 116.57 118.15 3kpn h LYS 146 Ca 0.28 -0.26 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 3kpn h LYS 146 Cb 0.27 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3kpn h LYS 146 CO -0.23 1.00 -0.92 -1.49 -0.57 0.00 0.00 179.45 177.23 3kpn h TRP 147 N 1.10 0.22 -0.49 -1.35 4.06 -0.22 -1.82 115.95 117.45 3kpn h TRP 147 Ca 0.23 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 61.05 3kpn h TRP 147 Cb 0.34 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.45 3kpn h TRP 147 CO 0.03 0.98 0.28 0.93 -3.56 0.00 0.00 178.44 177.10 3kpn h GLU 148 N 0.07 0.68 -0.81 0.49 5.08 -0.49 -0.38 114.58 119.22 3kpn h GLU 148 Ca -0.04 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3kpn h GLU 148 Cb 1.58 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.66 3kpn h GLU 148 CO 0.14 0.51 0.35 0.00 -1.00 0.00 0.00 179.01 179.01 3kpn h ALA 149 N 1.13 1.04 -0.41 3.43 0.00 -0.95 -2.34 119.26 121.16 3kpn h ALA 149 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kpn h ALA 149 Cb 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3kpn h ALA 149 CO -0.03 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3kpn n ALA 150 N -2.42 2.58 -4.06 0.00 0.00 -0.70 -4.94 120.51 110.95 3kpn n ALA 150 Ca 0.07 -0.81 -0.32 0.00 0.00 0.00 0.00 53.44 52.38 3kpn n ALA 150 Cb 0.17 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3kpn n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kpn n ARG 151 N 0.69 -1.68 0.05 0.00 1.74 -0.56 -4.88 116.66 112.02 3kpn n ARG 151 Ca 0.15 0.24 -0.09 0.00 -0.77 0.00 0.00 57.85 57.38 3kpn n ARG 151 Cb 0.43 -3.79 0.06 0.00 -1.02 0.00 0.00 32.46 28.14 3kpn n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kpn h VAL 152 N -1.98 1.37 -0.53 1.55 2.07 -1.39 -3.11 116.25 114.22 3kpn h VAL 152 Ca -0.66 -2.01 -0.02 0.00 0.82 0.00 0.00 66.70 64.83 3kpn h VAL 152 Cb 1.39 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 33.13 3kpn h VAL 152 CO 0.61 0.61 0.26 0.00 0.02 0.00 0.00 177.57 179.07 3kpn h ALA 153 N 1.01 1.46 -0.35 1.67 0.00 -1.89 -1.32 119.26 119.83 3kpn h ALA 153 Ca -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3kpn h ALA 153 Cb 1.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3kpn h ALA 153 CO 0.11 0.43 0.03 0.93 0.00 0.00 0.00 179.25 180.75 3kpn h GLU 154 N 0.74 0.54 0.01 0.00 3.07 -1.78 0.40 114.58 117.56 3kpn h GLU 154 Ca 0.19 -0.11 -0.12 0.00 -0.50 0.00 0.00 59.36 58.82 3kpn h GLU 154 Cb 0.07 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 27.91 3kpn h GLU 154 CO -0.03 0.55 -0.49 1.96 -1.40 0.00 0.00 179.01 179.61 3kpn h GLN 155 N 0.52 0.31 -0.27 2.33 4.20 -1.43 -2.09 115.11 118.69 3kpn h GLN 155 Ca 0.12 -0.35 0.04 0.00 0.06 0.00 0.00 58.65 58.52 3kpn h GLN 155 Cb 0.30 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 3kpn h GLN 155 CO 0.01 1.05 0.02 -0.07 -0.67 0.00 0.00 178.83 179.17 3kpn h LEU 156 N -0.28 -0.06 -0.46 1.46 3.38 -1.10 -1.19 115.31 117.06 3kpn h LEU 156 Ca -0.06 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3kpn h LEU 156 Cb 1.23 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.00 3kpn h LEU 156 CO 0.10 0.00 0.09 -0.09 0.09 0.00 0.00 178.44 178.63 3kpn h ARG 157 N 0.11 0.22 -0.47 1.13 2.43 -0.98 0.22 114.38 117.04 3kpn h ARG 157 Ca 0.12 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3kpn h ARG 157 Cb 0.15 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 3kpn h ARG 157 CO -0.19 0.15 0.18 0.00 -1.51 0.00 0.00 179.97 178.59 3kpn h ALA 158 N 1.35 0.58 0.14 2.80 0.00 -0.85 -0.62 119.26 122.67 3kpn h ALA 158 Ca 0.23 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3kpn h ALA 158 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kpn h ALA 158 CO -0.29 -0.21 -0.07 -0.92 0.00 0.00 0.00 179.25 177.76 3kpn h TYR 159 N 0.36 -0.17 -0.46 0.00 3.20 -0.62 -2.15 116.97 117.13 3kpn h TYR 159 Ca 0.22 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3kpn h TYR 159 Cb 0.21 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3kpn h TYR 159 CO -0.15 -0.08 0.02 -0.07 -1.64 0.00 0.00 178.16 176.24 3kpn h LEU 160 N -0.23 0.70 0.00 2.82 3.38 -0.14 -0.58 115.31 121.27 3kpn h LEU 160 Ca -0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3kpn h LEU 160 Cb 0.18 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kpn h LEU 160 CO 0.03 0.76 -0.51 -0.33 0.09 0.00 0.00 178.44 178.48 3kpn h GLU 161 N 0.70 0.00 0.00 1.13 5.08 -1.18 -3.34 114.58 116.97 3kpn h GLU 161 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3kpn h GLU 161 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kpn h GLU 161 CO 0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 3kpn n GLY 162 N 1.23 0.34 0.36 -3.84 0.00 -0.81 -4.72 105.19 97.76 3kpn n GLY 162 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 3kpn n GLY 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kpn h LEU 163 N 0.00 0.77 0.37 0.99 5.85 -1.54 0.50 115.31 122.25 3kpn h LEU 163 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3kpn h LEU 163 Cb 0.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3kpn h LEU 163 CO 0.00 0.47 -0.26 0.00 -0.34 0.00 0.00 178.44 178.31 3kpn h VAL 165 N -0.61 1.29 0.07 0.00 -1.51 -1.54 -1.89 116.25 112.05 3kpn h VAL 165 Ca -0.03 -1.54 -0.00 0.00 -1.23 0.00 0.00 66.70 63.89 3kpn h VAL 165 Cb 0.52 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3kpn h VAL 165 CO 0.02 0.50 -0.03 -0.33 -1.23 0.00 0.00 177.57 176.49 3kpn h GLU 166 N 0.61 -0.09 -0.24 5.19 5.08 -0.82 -0.17 114.58 124.14 3kpn h GLU 166 Ca 0.06 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3kpn h GLU 166 Cb 0.92 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3kpn h GLU 166 CO 0.08 0.00 -0.01 0.66 -1.00 0.00 0.00 179.01 178.75 3kpn h SER 167 N -0.16 0.42 -0.53 1.42 4.64 -0.79 -1.94 113.55 116.60 3kpn h SER 167 Ca -0.01 -0.32 0.10 0.00 -0.47 0.00 0.00 61.79 61.10 3kpn h SER 167 Cb 0.14 -0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 62.03 3kpn h SER 167 CO 0.02 0.63 0.05 0.25 -0.87 0.00 0.00 176.83 176.90 3kpn h LEU 168 N 0.19 -0.13 -1.21 5.97 5.85 -1.31 0.21 115.31 124.87 3kpn h LEU 168 Ca 0.07 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3kpn h LEU 168 Cb 0.42 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3kpn h LEU 168 CO 0.01 -0.04 0.39 0.03 -0.34 0.00 0.00 178.44 178.49 3kpn h ARG 169 N 0.17 0.93 -0.38 1.25 3.08 -0.83 -1.16 114.38 117.44 3kpn h ARG 169 Ca 0.27 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 3kpn h ARG 169 Cb 0.40 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3kpn h ARG 169 CO -0.41 0.67 -0.15 -0.09 -1.07 0.00 0.00 179.97 178.93 3kpn h ARG 170 N 0.94 0.76 -0.92 0.04 2.43 -0.48 -2.79 114.38 114.37 3kpn h ARG 170 Ca 0.24 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3kpn h ARG 170 Cb -0.01 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3kpn h ARG 170 CO -0.04 0.93 0.57 1.88 -1.51 0.00 0.00 179.97 181.80 3kpn h TYR 171 N 0.56 1.19 -0.49 2.20 0.05 -0.22 -1.08 116.97 119.18 3kpn h TYR 171 Ca 0.09 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.79 3kpn h TYR 171 Cb 0.68 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 3kpn h TYR 171 CO 0.05 0.78 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.85 3kpn h LEU 172 N 1.26 0.82 0.20 3.88 3.38 -1.23 0.25 115.31 123.87 3kpn h LEU 172 Ca 0.33 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3kpn h LEU 172 Cb -0.09 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3kpn h LEU 172 CO -0.07 0.90 -0.10 -0.08 0.09 0.00 0.00 178.44 179.18 3kpn h GLU 173 N 0.78 -0.26 -0.94 1.13 4.57 -1.22 -1.37 114.58 117.26 3kpn h GLU 173 Ca 0.14 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.44 3kpn h GLU 173 Cb 0.51 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.09 3kpn h GLU 173 CO 0.03 0.09 0.60 -0.91 -1.18 0.00 0.00 179.01 177.64 3kpn h ASN 174 N -0.68 0.87 -0.73 1.04 2.35 -1.05 -2.59 115.58 114.79 3kpn h ASN 174 Ca -0.03 0.03 -0.38 0.00 -0.55 0.00 0.00 56.30 55.37 3kpn h ASN 174 Cb 0.48 -0.15 -0.23 0.00 0.05 0.00 0.00 38.32 38.47 3kpn h ASN 174 CO 0.05 0.51 0.34 0.61 -1.65 0.00 0.00 177.43 177.28 3kpn n GLY 175 N -1.39 4.71 0.26 2.83 0.00 0.86 -4.74 105.19 107.73 3kpn n GLY 175 Ca 0.16 -1.18 0.07 0.00 0.00 0.00 0.00 46.02 45.07 3kpn n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kpn h LYS 176 N 1.02 0.07 0.00 1.61 2.10 -0.82 0.34 116.57 120.89 3kpn h LYS 176 Ca 0.46 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.09 3kpn h LYS 176 Cb 2.33 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 33.64 3kpn h LYS 176 CO 0.82 0.06 -0.07 0.93 -2.00 0.00 0.00 179.45 179.19 3kpn h GLU 177 N 0.07 0.00 0.00 0.07 5.08 -1.86 -2.95 114.58 114.99 3kpn h GLU 177 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3kpn h GLU 177 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3kpn h GLU 177 CO -0.00 0.07 -0.85 0.25 -1.00 0.00 0.00 179.01 177.48 3kpn n THR 178 N -3.31 0.34 0.09 1.13 -2.24 -0.67 -4.51 114.28 105.11 3kpn n THR 178 Ca -0.01 0.07 0.03 0.00 -2.27 0.00 0.00 64.05 61.88 3kpn n THR 178 Cb 0.26 -1.54 0.42 0.00 -2.10 0.00 0.00 70.33 67.36 3kpn n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kpn h LEU 179 N -0.05 0.30 -3.48 3.22 3.38 -0.53 -2.06 115.31 116.08 3kpn h LEU 179 Ca -0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kpn h LEU 179 Cb 0.81 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3kpn h LEU 179 CO -0.02 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.86 3kpn n GLN 180 N -4.37 4.28 -4.35 1.13 6.02 -1.11 -4.85 117.38 114.13 3kpn n GLN 180 Ca 0.00 -3.07 -0.33 0.00 -0.01 0.00 0.00 57.00 53.59 3kpn n GLN 180 Cb 0.18 -2.14 -0.15 0.00 1.02 0.00 0.00 30.24 29.15 3kpn n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3kpn s ARG 181 N -2.80 3.21 -0.17 -1.09 3.52 -0.78 -4.97 118.95 115.87 3kpn s ARG 181 Ca 0.51 -0.74 -0.11 0.00 -0.13 0.00 0.00 55.73 55.26 3kpn s ARG 181 Cb 0.40 -2.69 -0.05 0.00 -1.56 0.00 0.00 34.95 31.05 3kpn s ARG 181 CO 0.14 -0.06 0.19 0.00 -0.81 0.00 0.00 175.30 174.76 3kpn s ALA 182 N 1.01 3.68 -0.27 6.12 0.00 -1.26 -4.77 121.76 126.27 3kpn s ALA 182 Ca -0.02 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 3kpn s ALA 182 Cb -0.15 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 3kpn s ALA 182 CO -0.03 0.21 0.12 -0.51 0.00 0.00 0.00 175.76 175.55 3kpn s ASP 183 N 0.17 5.49 0.70 0.00 1.01 0.80 -4.77 116.67 120.08 3kpn s ASP 183 Ca 0.12 -0.18 -0.11 0.00 0.71 0.00 0.00 52.55 53.09 3kpn s ASP 183 Cb -0.12 -2.00 0.01 0.00 1.01 0.00 0.00 42.92 41.82 3kpn s ASP 183 CO 0.01 -0.06 1.07 -2.16 0.21 0.00 0.00 175.17 174.24 3kpn s PRO 184 N 1.67 2.83 0.32 8.23 0.04 -1.26 -1.34 135.00 145.47 3kpn s PRO 184 Ca 0.06 1.04 -0.28 0.00 0.04 0.00 0.00 61.00 61.87 3kpn s PRO 184 Cb -0.16 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 3kpn s PRO 184 CO 0.06 -1.19 1.11 -1.25 0.04 0.00 0.00 177.00 175.77 3kpn s PRO 185 N -4.87 4.47 -0.10 0.56 0.04 -1.26 -4.24 135.00 129.60 3kpn s PRO 185 Ca 0.60 1.77 -0.28 0.00 0.04 0.00 0.00 61.00 63.13 3kpn s PRO 185 Cb -0.15 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 3kpn s PRO 185 CO 0.53 0.07 0.93 0.15 0.04 0.00 0.00 177.00 178.71 3kpn s LYS 186 N -1.75 4.41 -0.03 4.56 1.02 0.89 -4.85 119.74 123.99 3kpn s LYS 186 Ca 0.49 1.25 0.05 0.00 0.02 0.00 0.00 55.97 57.77 3kpn s LYS 186 Cb -0.30 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.47 3kpn s LYS 186 CO 0.39 -0.24 -0.17 0.95 -0.92 0.00 0.00 175.35 175.35 3kpn s THR 187 N 1.79 1.41 0.10 2.17 -4.23 -1.26 -0.45 115.64 115.17 3kpn s THR 187 Ca 0.45 -0.73 -0.12 0.00 -1.18 0.00 0.00 61.69 60.11 3kpn s THR 187 Cb -0.18 -1.19 0.01 0.00 1.34 0.00 0.00 72.50 72.48 3kpn s THR 187 CO 0.18 0.40 0.28 -1.38 -0.54 0.00 0.00 174.62 173.56 3kpn s HIS 188 N -0.17 0.00 -0.15 3.99 -3.43 -0.94 -4.98 115.29 109.61 3kpn s HIS 188 Ca 0.01 -0.38 -0.02 0.00 -0.80 0.00 0.00 55.06 53.87 3kpn s HIS 188 Cb -0.09 0.07 -0.02 0.00 -1.43 0.00 0.00 32.58 31.11 3kpn s HIS 188 CO 0.01 -0.60 -0.07 0.08 -2.00 0.00 0.00 174.74 172.15 3kpn s VAL 189 N -3.77 3.53 0.26 -5.38 1.01 -1.26 -0.09 120.40 114.69 3kpn s VAL 189 Ca 0.04 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.60 3kpn s VAL 189 Cb 0.03 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3kpn s VAL 189 CO -0.11 0.50 0.21 0.42 0.00 0.00 0.00 175.10 176.12 3kpn s THR 190 N 0.47 4.44 -0.08 3.92 -4.23 0.21 -4.74 115.64 115.62 3kpn s THR 190 Ca -0.06 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3kpn s THR 190 Cb -0.15 -3.42 0.02 0.00 1.34 0.00 0.00 72.50 70.30 3kpn s THR 190 CO 0.03 -0.34 -0.06 -2.28 -0.54 0.00 0.00 174.62 171.44 3kpn s HIS 191 N -2.14 1.13 -0.24 3.99 2.46 -1.26 -1.58 115.29 117.66 3kpn s HIS 191 Ca 0.33 -0.46 -0.03 0.00 0.47 0.00 0.00 55.06 55.38 3kpn s HIS 191 Cb -0.08 -0.98 0.08 0.00 -0.13 0.00 0.00 32.58 31.47 3kpn s HIS 191 CO 0.25 -0.36 0.08 -1.01 -2.47 0.00 0.00 174.74 171.23 3kpn s HIS 192 N 1.43 0.88 0.06 3.88 3.76 0.11 -4.98 115.29 120.44 3kpn s HIS 192 Ca -0.02 -0.96 -0.30 0.00 -0.15 0.00 0.00 55.06 53.63 3kpn s HIS 192 Cb -0.13 -1.09 -0.09 0.00 1.11 0.00 0.00 32.58 32.38 3kpn s HIS 192 CO -0.04 -0.70 1.88 -2.14 -0.85 0.00 0.00 174.74 172.90 3kpn s PRO 193 N 1.90 4.15 0.04 8.40 0.02 -1.26 1.00 135.00 149.25 3kpn s PRO 193 Ca 0.04 2.57 -0.15 0.00 0.02 0.00 0.00 61.00 63.47 3kpn s PRO 193 Cb -0.17 -3.92 -0.34 0.00 0.02 0.00 0.00 34.50 30.10 3kpn s PRO 193 CO -0.18 -0.90 1.04 0.82 -0.33 0.00 0.00 177.00 177.45 3kpn h ILE 194 N 5.25 1.29 -2.65 2.83 1.08 -1.59 -3.47 117.51 120.26 3kpn h ILE 194 Ca -0.47 -2.65 0.03 0.00 -0.39 0.00 0.00 64.86 61.38 3kpn h ILE 194 Cb 1.22 2.94 -0.00 0.00 -3.07 0.00 0.00 36.82 37.91 3kpn h ILE 194 CO 0.94 0.80 0.31 -1.54 -0.69 0.00 0.00 178.15 177.97 3kpn n SER 195 N -3.73 -1.70 -0.30 1.72 3.41 -1.03 -5.02 113.62 106.97 3kpn n SER 195 Ca -0.16 -2.10 0.10 0.00 -0.26 0.00 0.00 58.87 56.46 3kpn n SER 195 Cb 1.07 2.82 0.26 0.00 -0.26 0.00 0.00 64.21 68.10 3kpn n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kpn h ASP 196 N 1.60 0.43 0.00 4.04 3.32 -2.03 -3.15 116.42 120.62 3kpn h ASP 196 Ca -0.25 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3kpn h ASP 196 Cb 0.99 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3kpn h ASP 196 CO 0.33 0.11 -0.02 1.41 -1.72 0.00 0.00 179.24 179.35 3kpn n HIS 197 N -4.96 0.00 -4.41 4.55 8.25 -1.26 -4.78 115.22 112.61 3kpn n HIS 197 Ca 0.19 -0.60 -0.20 0.00 -0.26 0.00 0.00 57.72 56.86 3kpn n HIS 197 Cb 0.54 -0.08 -0.15 0.00 1.12 0.00 0.00 29.99 31.42 3kpn n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3kpn s GLU 198 N -1.45 0.90 0.05 -0.41 2.02 -1.19 -1.60 118.70 117.02 3kpn s GLU 198 Ca 0.09 -0.33 0.05 0.00 0.02 0.00 0.00 54.97 54.80 3kpn s GLU 198 Cb 0.08 -0.86 -0.02 0.00 0.10 0.00 0.00 34.13 33.43 3kpn s GLU 198 CO 0.01 0.16 -0.13 0.14 0.02 0.00 0.00 175.26 175.46 3kpn s VAL 199 N 0.00 1.01 -0.17 2.63 -7.23 0.32 -1.47 120.40 115.50 3kpn s VAL 199 Ca -0.00 -1.13 -0.19 0.00 -1.81 0.00 0.00 61.98 58.85 3kpn s VAL 199 Cb -0.06 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 3kpn s VAL 199 CO 0.00 -0.15 0.52 -0.89 -0.31 0.00 0.00 175.10 174.27 3kpn s THR 200 N -1.10 5.12 -0.28 5.32 2.01 0.28 -0.45 115.64 126.55 3kpn s THR 200 Ca -0.02 1.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.89 3kpn s THR 200 Cb -0.09 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 3kpn s THR 200 CO 0.02 0.22 0.15 -0.76 -0.69 0.00 0.00 174.62 173.56 3kpn s LEU 201 N 1.29 3.88 -0.20 4.42 1.43 -0.11 -0.72 118.68 128.68 3kpn s LEU 201 Ca 0.26 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 3kpn s LEU 201 Cb -0.15 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 3kpn s LEU 201 CO 0.10 -0.07 -0.08 -0.60 0.23 0.00 0.00 176.35 175.93 3kpn s ARG 202 N 1.70 3.30 -0.25 1.70 3.52 -0.61 -1.28 118.95 127.02 3kpn s ARG 202 Ca 0.07 -0.67 -0.15 0.00 -0.13 0.00 0.00 55.73 54.84 3kpn s ARG 202 Cb -0.16 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.31 3kpn s ARG 202 CO 0.08 -0.16 0.39 0.00 -0.81 0.00 0.00 175.30 174.80 3kpn s TRP 204 N 1.87 2.97 -0.11 0.00 0.52 0.87 -1.63 118.94 123.43 3kpn s TRP 204 Ca 0.17 -0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.27 3kpn s TRP 204 Cb -0.15 -1.76 0.02 0.00 -1.15 0.00 0.00 33.47 30.43 3kpn s TRP 204 CO 0.09 0.29 -0.10 0.00 0.02 0.00 0.00 176.95 177.25 3kpn s ALA 205 N -0.64 1.44 0.15 0.98 0.00 -0.07 -2.21 121.76 121.42 3kpn s ALA 205 Ca 0.10 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.50 3kpn s ALA 205 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3kpn s ALA 205 CO 0.02 -0.31 -0.12 -0.51 0.00 0.00 0.00 175.76 174.84 3kpn s LEU 206 N 1.47 2.49 -0.63 0.00 1.43 0.41 -1.12 118.68 122.73 3kpn s LEU 206 Ca 0.01 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 3kpn s LEU 206 Cb -0.13 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.62 3kpn s LEU 206 CO -0.07 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.89 3kpn n GLY 207 N 0.03 0.83 3.92 -3.19 0.00 -0.99 -0.07 105.19 105.72 3kpn n GLY 207 Ca -0.12 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 3kpn n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kpn s PHE 208 N -2.19 3.52 -0.14 1.61 -0.71 -1.15 -4.63 117.98 114.28 3kpn s PHE 208 Ca 0.00 0.27 -0.11 0.00 -1.04 0.00 0.00 56.93 56.05 3kpn s PHE 208 Cb 0.00 -1.78 0.04 0.00 -1.21 0.00 0.00 43.02 40.08 3kpn s PHE 208 CO 0.00 0.59 0.37 -0.47 -1.34 0.00 0.00 175.22 174.36 3kpn s TYR 209 N -1.51 -0.45 0.49 3.49 6.14 -0.45 -0.66 117.35 124.40 3kpn s TYR 209 Ca 0.35 1.04 -0.08 0.00 0.64 0.00 0.00 57.07 59.02 3kpn s TYR 209 Cb -0.13 0.16 0.12 0.00 0.42 0.00 0.00 41.96 42.53 3kpn s TYR 209 CO 0.27 -0.23 0.56 -0.35 0.64 0.00 0.00 175.55 176.44 3kpn n PRO 210 N 3.34 -1.11 0.10 4.97 -0.04 -1.26 -0.14 135.00 140.86 3kpn n PRO 210 Ca -0.17 -0.88 -0.01 0.00 -0.04 0.00 0.00 63.50 62.40 3kpn n PRO 210 Cb 0.57 -0.67 0.25 0.00 -0.04 0.00 0.00 33.50 33.61 3kpn n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kpn h ALA 211 N -2.07 1.17 -2.41 0.55 0.00 -1.94 -3.45 119.26 111.12 3kpn h ALA 211 Ca -0.19 -0.38 -0.55 0.00 0.00 0.00 0.00 54.91 53.78 3kpn h ALA 211 Cb 0.55 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.30 3kpn h ALA 211 CO 0.13 0.55 1.00 -1.91 0.00 0.00 0.00 179.25 179.03 3kpn n GLU 212 N -4.06 2.54 -3.52 0.00 4.07 -1.26 -4.96 120.64 113.45 3kpn n GLU 212 Ca -0.01 0.92 -0.14 0.00 -0.06 0.00 0.00 57.16 57.87 3kpn n GLU 212 Cb 0.45 -2.77 -0.04 0.00 -0.06 0.00 0.00 31.44 29.02 3kpn n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3kpn s ILE 213 N 2.07 0.01 -0.11 6.31 2.07 -1.26 -4.62 121.20 125.67 3kpn s ILE 213 Ca 0.81 -0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.94 3kpn s ILE 213 Cb -0.57 -0.99 0.02 0.00 0.13 0.00 0.00 42.46 41.05 3kpn s ILE 213 CO 0.38 -0.07 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.32 3kpn s THR 214 N -2.53 1.40 -0.16 4.00 2.01 -0.17 -4.99 115.64 115.19 3kpn s THR 214 Ca -0.05 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.39 3kpn s THR 214 Cb -0.01 -1.30 0.03 0.00 0.01 0.00 0.00 72.50 71.23 3kpn s THR 214 CO -0.02 0.42 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.44 3kpn s LEU 215 N 1.16 1.82 0.05 4.42 1.43 -1.26 -0.86 118.68 125.43 3kpn s LEU 215 Ca -0.04 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 3kpn s LEU 215 Cb -0.14 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 3kpn s LEU 215 CO -0.04 -0.08 -0.09 0.42 0.23 0.00 0.00 176.35 176.80 3kpn s THR 216 N 1.47 0.66 -0.09 5.49 -4.23 -0.45 -4.93 115.64 113.56 3kpn s THR 216 Ca 0.04 -1.19 -0.04 0.00 -1.18 0.00 0.00 61.69 59.32 3kpn s THR 216 Cb -0.14 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 3kpn s THR 216 CO -0.10 -0.39 0.06 0.26 -0.54 0.00 0.00 174.62 173.90 3kpn s TRP 217 N -1.53 3.32 0.12 3.99 0.52 -1.26 0.08 118.94 124.19 3kpn s TRP 217 Ca -0.07 0.31 0.10 0.00 0.02 0.00 0.00 56.10 56.47 3kpn s TRP 217 Cb -0.09 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 3kpn s TRP 217 CO 0.00 0.57 -0.25 -0.65 0.02 0.00 0.00 176.95 176.64 3kpn s GLN 218 N -0.99 1.33 -0.18 4.98 -0.21 0.06 -1.48 119.66 123.16 3kpn s GLN 218 Ca 0.15 -1.30 0.01 0.00 0.02 0.00 0.00 55.36 54.23 3kpn s GLN 218 Cb -0.12 -1.77 0.03 0.00 1.00 0.00 0.00 33.01 32.16 3kpn s GLN 218 CO 0.04 0.42 -0.13 0.50 -2.12 0.00 0.00 175.29 174.00 3kpn s ARG 219 N -2.03 2.23 -1.43 2.91 3.52 -0.32 -1.31 118.95 122.52 3kpn s ARG 219 Ca 0.12 -0.76 -0.07 0.00 -0.13 0.00 0.00 55.73 54.90 3kpn s ARG 219 Cb -0.10 -2.34 0.04 0.00 -1.56 0.00 0.00 34.95 30.99 3kpn s ARG 219 CO 0.06 -0.34 0.79 -0.25 -0.81 0.00 0.00 175.30 174.75 3kpn n ASP 220 N 4.70 -2.69 -0.13 -2.12 8.00 -0.42 -2.14 116.55 121.75 3kpn n ASP 220 Ca -0.16 -0.83 -0.02 0.00 0.71 0.00 0.00 54.79 54.49 3kpn n ASP 220 Cb 0.48 -3.84 -0.01 0.00 -0.02 0.00 0.00 41.12 37.73 3kpn n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpn n GLY 221 N -1.66 0.41 3.35 0.44 0.00 -1.26 -5.00 105.19 101.47 3kpn n GLY 221 Ca -0.14 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 3kpn n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kpn s GLU 222 N -1.27 3.35 0.11 1.61 2.02 -0.91 -5.03 118.70 118.59 3kpn s GLU 222 Ca 0.00 -0.70 -0.36 0.00 0.02 0.00 0.00 54.97 53.94 3kpn s GLU 222 Cb 0.00 -2.64 -0.16 0.00 0.10 0.00 0.00 34.13 31.43 3kpn s GLU 222 CO 0.00 0.16 1.38 -0.25 0.02 0.00 0.00 175.26 176.58 3kpn n ASP 223 N 3.66 1.97 -2.56 -0.19 8.00 -1.26 -1.18 116.55 124.99 3kpn n ASP 223 Ca -0.18 1.11 -0.33 0.00 0.71 0.00 0.00 54.79 56.10 3kpn n ASP 223 Cb 0.52 -1.25 0.03 0.00 -0.02 0.00 0.00 41.12 40.41 3kpn n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kpn n GLN 224 N 2.66 3.06 -0.20 -1.24 1.13 -0.55 -4.85 117.38 117.38 3kpn n GLN 224 Ca 0.18 -3.86 0.00 0.00 -1.94 0.00 0.00 57.00 51.38 3kpn n GLN 224 Cb 0.22 -2.27 0.11 0.00 0.11 0.00 0.00 30.24 28.41 3kpn n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3kpn h THR 225 N 2.01 0.75 -0.08 5.09 2.02 -1.91 -1.80 112.91 119.00 3kpn h THR 225 Ca 0.47 -0.14 -0.16 0.00 0.77 0.00 0.00 66.41 67.35 3kpn h THR 225 Cb 0.63 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3kpn h THR 225 CO 1.20 0.07 -0.65 -0.61 0.37 0.00 0.00 175.52 175.90 3kpn h GLN 226 N 0.39 0.33 -0.00 6.66 5.75 -1.99 -3.14 115.11 123.11 3kpn h GLN 226 Ca 0.31 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3kpn h GLN 226 Cb 0.40 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.99 3kpn h GLN 226 CO -0.32 0.87 -0.21 -0.25 -2.65 0.00 0.00 178.83 176.27 3kpn n ASP 227 N -3.86 0.56 -4.65 -0.69 10.43 -0.98 -4.88 116.55 112.49 3kpn n ASP 227 Ca -0.03 -0.47 -0.41 0.00 2.57 0.00 0.00 54.79 56.45 3kpn n ASP 227 Cb 0.66 -0.01 -0.05 0.00 1.84 0.00 0.00 41.12 43.56 3kpn n ASP 227 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3kpn s THR 228 N -2.64 4.95 -0.28 -3.53 2.01 -0.71 -4.54 115.64 110.90 3kpn s THR 228 Ca 0.22 1.32 -0.25 0.00 0.31 0.00 0.00 61.69 63.29 3kpn s THR 228 Cb 0.19 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.70 3kpn s THR 228 CO 0.54 0.04 0.85 -0.70 -0.69 0.00 0.00 174.62 174.66 3kpn s GLU 229 N 2.28 4.09 -0.18 4.92 2.12 0.26 -4.91 118.70 127.28 3kpn s GLU 229 Ca 0.31 0.84 0.01 0.00 0.36 0.00 0.00 54.97 56.49 3kpn s GLU 229 Cb -0.16 -3.69 0.02 0.00 0.26 0.00 0.00 34.13 30.57 3kpn s GLU 229 CO 0.10 -0.63 -0.17 -1.17 -0.54 0.00 0.00 175.26 172.84 3kpn s LEU 230 N 3.00 2.09 0.48 2.70 2.96 -1.26 -0.09 118.68 128.56 3kpn s LEU 230 Ca 0.36 -0.66 -0.11 0.00 -0.22 0.00 0.00 54.13 53.49 3kpn s LEU 230 Cb -0.14 -1.38 -0.06 0.00 0.50 0.00 0.00 46.19 45.10 3kpn s LEU 230 CO 0.10 -0.04 0.87 0.68 -1.32 0.00 0.00 176.35 176.64 3kpn s VAL 231 N 1.34 4.73 0.34 1.68 -7.23 -0.97 -5.04 120.40 115.25 3kpn s VAL 231 Ca 0.04 0.74 -0.29 0.00 -1.81 0.00 0.00 61.98 60.66 3kpn s VAL 231 Cb -0.14 -3.77 -0.11 0.00 0.56 0.00 0.00 36.38 32.93 3kpn s VAL 231 CO -0.12 -0.71 1.41 -0.70 -0.31 0.00 0.00 175.10 174.67 3kpn s GLU 232 N -4.25 4.23 0.21 4.82 2.12 -1.26 -4.61 118.70 119.97 3kpn s GLU 232 Ca 0.53 2.39 -0.32 0.00 0.36 0.00 0.00 54.97 57.93 3kpn s GLU 232 Cb -0.10 -3.03 -0.13 0.00 0.26 0.00 0.00 34.13 31.13 3kpn s GLU 232 CO 0.37 -0.38 1.60 2.41 -0.54 0.00 0.00 175.26 178.72 3kpn n THR 233 N 0.95 0.35 -4.34 -1.70 -1.04 -1.26 -4.84 114.28 102.39 3kpn n THR 233 Ca 0.02 -0.09 -0.19 0.00 -2.04 0.00 0.00 64.05 61.75 3kpn n THR 233 Cb 0.40 -1.75 -0.13 0.00 -1.82 0.00 0.00 70.33 67.03 3kpn n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kpn s ARG 234 N 0.51 0.87 0.24 -2.82 1.70 -0.60 -4.95 118.95 113.90 3kpn s ARG 234 Ca 0.73 -0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 55.01 3kpn s ARG 234 Cb -0.59 -0.86 -0.09 0.00 -0.57 0.00 0.00 34.95 32.85 3kpn s ARG 234 CO 0.40 0.21 0.99 -1.25 -1.08 0.00 0.00 175.30 174.58 3kpn s PRO 235 N -1.01 4.78 0.23 3.89 0.04 -1.26 -0.53 135.00 141.14 3kpn s PRO 235 Ca 0.01 1.59 0.13 0.00 0.04 0.00 0.00 61.00 62.76 3kpn s PRO 235 Cb -0.07 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.21 3kpn s PRO 235 CO 0.01 0.39 1.41 0.00 0.04 0.00 0.00 177.00 178.85 3kpn h ALA 236 N 4.20 0.59 0.00 8.56 0.00 -1.28 -3.47 119.26 127.86 3kpn h ALA 236 Ca -0.45 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.87 3kpn h ALA 236 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3kpn h ALA 236 CO 0.68 0.81 0.00 0.41 0.00 0.00 0.00 179.25 181.15 3kpn n GLY 237 N 1.23 0.57 0.84 0.00 0.00 -1.26 -4.94 105.19 101.63 3kpn n GLY 237 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 3kpn n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kpn n ASP 238 N 0.00 2.34 0.00 1.61 5.68 -1.26 -4.93 116.55 119.99 3kpn n ASP 238 Ca 0.00 -3.68 0.00 0.00 -0.50 0.00 0.00 54.79 50.61 3kpn n ASP 238 Cb 0.00 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 3kpn n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3kpn n ARG 239 N -1.10 0.00 -2.77 0.11 1.85 -1.26 -5.03 116.66 108.46 3kpn n ARG 239 Ca 0.26 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.90 3kpn n ARG 239 Cb 0.87 -0.69 0.06 0.00 -1.05 0.00 0.00 32.46 31.65 3kpn n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3kpn s THR 240 N -1.75 2.47 0.24 8.89 -4.23 -1.26 -4.85 115.64 115.15 3kpn s THR 240 Ca 0.00 -0.78 0.05 0.00 -1.18 0.00 0.00 61.69 59.78 3kpn s THR 240 Cb 0.00 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 3kpn s THR 240 CO 0.00 0.00 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.70 3kpn s PHE 241 N -2.78 1.68 0.05 3.99 0.40 0.17 -0.80 117.98 120.68 3kpn s PHE 241 Ca 0.60 -0.85 0.02 0.00 -0.60 0.00 0.00 56.93 56.11 3kpn s PHE 241 Cb -0.08 -0.97 -0.03 0.00 0.51 0.00 0.00 43.02 42.46 3kpn s PHE 241 CO 0.39 0.06 -0.07 -0.65 0.70 0.00 0.00 175.22 175.65 3kpn s GLN 242 N -3.82 0.56 -0.03 0.44 -0.21 0.31 -2.35 119.66 114.57 3kpn s GLN 242 Ca 0.28 -0.82 -0.24 0.00 0.02 0.00 0.00 55.36 54.60 3kpn s GLN 242 Cb 0.05 -0.27 0.05 0.00 1.00 0.00 0.00 33.01 33.84 3kpn s GLN 242 CO 0.09 0.04 0.53 0.21 -2.12 0.00 0.00 175.29 174.04 3kpn s LYS 243 N -1.85 0.92 0.11 2.91 2.20 -0.27 -1.56 119.74 122.20 3kpn s LYS 243 Ca -0.08 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.58 3kpn s LYS 243 Cb -0.08 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 3kpn s LYS 243 CO -0.00 -0.28 -0.02 1.67 -0.36 0.00 0.00 175.35 176.36 3kpn s TRP 244 N -1.38 0.83 -0.02 4.03 1.48 -1.26 -0.89 118.94 121.74 3kpn s TRP 244 Ca -0.11 -1.05 0.01 0.00 -1.06 0.00 0.00 56.10 53.89 3kpn s TRP 244 Cb -0.02 -0.50 0.01 0.00 -1.16 0.00 0.00 33.47 31.79 3kpn s TRP 244 CO 0.07 -0.31 -0.04 0.00 -4.06 0.00 0.00 176.95 172.60 3kpn s ALA 245 N -3.81 0.46 0.02 2.67 0.00 -0.65 -2.29 121.76 118.16 3kpn s ALA 245 Ca 0.15 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.07 3kpn s ALA 245 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3kpn s ALA 245 CO -0.03 0.05 -0.19 0.00 0.00 0.00 0.00 175.76 175.59 3kpn s ALA 246 N 0.30 1.62 0.02 0.00 0.00 0.87 -0.30 121.76 124.27 3kpn s ALA 246 Ca -0.03 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.03 3kpn s ALA 246 Cb -0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3kpn s ALA 246 CO -0.00 0.37 -0.12 0.54 0.00 0.00 0.00 175.76 176.55 3kpn s VAL 247 N -0.67 0.95 -0.24 0.00 0.11 -0.41 -0.57 120.40 119.57 3kpn s VAL 247 Ca 0.07 -0.74 -0.12 0.00 -2.93 0.00 0.00 61.98 58.25 3kpn s VAL 247 Cb -0.08 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 3kpn s VAL 247 CO 0.01 0.10 0.25 -0.69 -3.33 0.00 0.00 175.10 171.43 3kpn s VAL 248 N -0.59 5.29 0.10 2.04 1.01 -1.26 -0.93 120.40 126.05 3kpn s VAL 248 Ca 0.02 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.43 3kpn s VAL 248 Cb -0.06 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3kpn s VAL 248 CO 0.00 0.28 -0.19 0.68 0.00 0.00 0.00 175.10 175.88 3kpn s VAL 249 N 1.35 1.52 0.37 2.92 -7.23 0.40 -4.93 120.40 114.80 3kpn s VAL 249 Ca 0.11 -1.49 -0.28 0.00 -1.81 0.00 0.00 61.98 58.51 3kpn s VAL 249 Cb -0.14 -1.42 -0.11 0.00 0.56 0.00 0.00 36.38 35.27 3kpn s VAL 249 CO 0.07 -0.13 1.45 -2.84 -0.31 0.00 0.00 175.10 173.33 3kpn s PRO 250 N -1.91 4.14 0.15 4.82 0.02 -1.26 -0.52 135.00 140.44 3kpn s PRO 250 Ca 0.04 2.49 -0.34 0.00 0.02 0.00 0.00 61.00 63.22 3kpn s PRO 250 Cb -0.10 -2.97 -0.16 0.00 0.02 0.00 0.00 34.50 31.29 3kpn s PRO 250 CO 0.04 -0.48 1.26 0.43 -0.33 0.00 0.00 177.00 177.93 3kpn n SER 251 N 0.50 1.68 0.00 2.53 7.64 -0.63 -1.64 113.62 123.70 3kpn n SER 251 Ca 0.01 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.02 3kpn n SER 251 Cb 0.40 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 3kpn n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kpn n GLY 252 N 2.26 2.11 1.30 0.23 0.00 -1.26 -4.88 105.19 104.96 3kpn n GLY 252 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3kpn n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kpn n GLU 253 N -2.00 2.65 -0.34 1.61 1.02 -0.65 -4.63 120.64 118.30 3kpn n GLU 253 Ca 0.00 -2.54 0.13 0.00 -0.02 0.00 0.00 57.16 54.73 3kpn n GLU 253 Cb 0.00 -1.56 0.33 0.00 -0.02 0.00 0.00 31.44 30.20 3kpn n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kpn h GLU 254 N 4.40 0.74 0.00 3.49 3.07 -1.90 -1.54 114.58 122.83 3kpn h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3kpn h GLU 254 Cb 0.99 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3kpn h GLU 254 CO 0.00 0.49 0.00 1.04 -1.40 0.00 0.00 179.01 179.14 3kpn n GLN 255 N -4.69 0.03 0.00 2.33 1.13 -1.26 -2.00 117.38 112.92 3kpn n GLN 255 Ca 0.22 0.24 0.14 0.00 -1.94 0.00 0.00 57.00 55.66 3kpn n GLN 255 Cb 0.54 -1.56 0.62 0.00 0.11 0.00 0.00 30.24 29.96 3kpn n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kpn n ARG 256 N -1.62 0.02 -4.27 -1.09 1.74 -0.58 -4.82 116.66 106.04 3kpn n ARG 256 Ca 0.04 -0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 3kpn n ARG 256 Cb 0.20 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 3kpn n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kpn s TYR 257 N -2.98 3.14 -0.02 -1.55 1.51 -0.84 -1.30 117.35 115.31 3kpn s TYR 257 Ca 0.15 -0.03 0.05 0.00 -1.01 0.00 0.00 57.07 56.23 3kpn s TYR 257 Cb 0.19 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 3kpn s TYR 257 CO 0.53 0.19 -0.17 0.95 -1.11 0.00 0.00 175.55 175.94 3kpn s THR 258 N -0.05 1.36 -0.08 -0.71 -4.23 -0.43 -4.65 115.64 106.85 3kpn s THR 258 Ca 0.04 -0.73 -0.15 0.00 -1.18 0.00 0.00 61.69 59.66 3kpn s THR 258 Cb -0.13 -1.14 -0.05 0.00 1.34 0.00 0.00 72.50 72.53 3kpn s THR 258 CO 0.02 0.39 0.37 0.00 -0.54 0.00 0.00 174.62 174.86 3kpn s HIS 260 N -0.18 2.58 -0.12 0.00 3.76 0.11 0.46 115.29 121.89 3kpn s HIS 260 Ca 0.22 -0.90 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 3kpn s HIS 260 Cb -0.15 -1.71 0.02 0.00 1.11 0.00 0.00 32.58 31.85 3kpn s HIS 260 CO 0.09 -0.33 -0.14 0.08 -0.85 0.00 0.00 174.74 173.58 3kpn s VAL 261 N 0.21 1.48 -0.10 -0.90 1.01 -0.08 -1.34 120.40 120.70 3kpn s VAL 261 Ca -0.14 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.27 3kpn s VAL 261 Cb -0.17 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 3kpn s VAL 261 CO 0.07 0.44 -0.24 -1.10 0.00 0.00 0.00 175.10 174.28 3kpn s GLN 262 N 1.17 2.96 -0.16 2.72 -0.21 -0.04 -1.13 119.66 124.97 3kpn s GLN 262 Ca -0.03 -0.87 -0.28 0.00 0.02 0.00 0.00 55.36 54.21 3kpn s GLN 262 Cb -0.14 -2.26 0.07 0.00 1.00 0.00 0.00 33.01 31.68 3kpn s GLN 262 CO -0.04 0.19 0.70 -1.58 -2.12 0.00 0.00 175.29 172.43 3kpn s HIS 263 N 0.31 -0.72 -0.24 0.91 2.46 -1.26 -1.00 115.29 115.75 3kpn s HIS 263 Ca -0.18 1.51 0.25 0.00 0.47 0.00 0.00 55.06 57.11 3kpn s HIS 263 Cb -0.18 0.34 1.19 0.00 -0.13 0.00 0.00 32.58 33.80 3kpn s HIS 263 CO 0.08 -0.50 1.75 1.05 -2.47 0.00 0.00 174.74 174.65 3kpn h GLU 264 N 3.97 0.00 -0.00 2.88 4.11 -1.93 0.78 114.58 124.38 3kpn h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 3kpn h GLU 264 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3kpn h GLU 264 CO 0.23 0.00 -0.03 0.41 0.07 0.00 0.00 179.01 179.69 3kpn n GLY 265 N -0.67 -0.77 3.58 1.06 0.00 -1.26 -4.81 105.19 102.32 3kpn n GLY 265 Ca 0.00 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 3kpn n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kpn s LEU 266 N -2.16 3.64 0.12 0.99 1.43 0.26 -4.45 118.68 118.50 3kpn s LEU 266 Ca 0.39 0.00 -0.18 0.00 -1.03 0.00 0.00 54.13 53.32 3kpn s LEU 266 Cb 0.21 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3kpn s LEU 266 CO 0.39 0.16 1.67 -0.65 0.23 0.00 0.00 176.35 178.15 3kpn h PRO 267 N 6.83 0.44 -5.58 1.29 0.11 -1.87 -3.44 132.00 129.77 3kpn h PRO 267 Ca -0.35 -0.07 -0.45 0.00 0.11 0.00 0.00 66.00 65.23 3kpn h PRO 267 Cb 1.17 -0.08 -0.18 0.00 0.11 0.00 0.00 31.00 32.03 3kpn h PRO 267 CO 0.67 0.44 -0.76 -1.59 -0.21 0.00 0.00 178.00 176.55 3kpn s LYS 268 N -5.63 1.12 0.58 1.05 -2.85 -1.26 -5.13 119.74 107.63 3kpn s LYS 268 Ca -0.13 -1.32 -0.19 0.00 -1.00 0.00 0.00 55.97 53.32 3kpn s LYS 268 Cb 0.09 -1.04 -0.05 0.00 -2.06 0.00 0.00 37.83 34.76 3kpn s LYS 268 CO 0.73 0.20 1.01 -2.30 0.10 0.00 0.00 175.35 175.09 3kpn n PRO 269 N 0.37 1.01 -3.91 1.78 -0.02 -1.26 -4.96 135.00 128.02 3kpn n PRO 269 Ca -0.14 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.39 3kpn n PRO 269 Cb 0.57 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 3kpn n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kpn s LEU 270 N -2.04 4.36 -0.16 2.45 1.43 -0.29 -4.93 118.68 119.50 3kpn s LEU 270 Ca 0.74 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 3kpn s LEU 270 Cb -0.43 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.27 3kpn s LEU 270 CO 0.48 0.28 -0.18 -0.89 0.23 0.00 0.00 176.35 176.27 3kpn s THR 271 N -1.28 2.35 0.09 5.49 2.01 -1.26 -0.90 115.64 122.14 3kpn s THR 271 Ca 0.25 -0.87 0.09 0.00 0.31 0.00 0.00 61.69 61.47 3kpn s THR 271 Cb -0.13 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 3kpn s THR 271 CO 0.16 0.53 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.63 3kpn s LEU 272 N 0.92 2.25 0.18 4.42 1.02 0.17 -4.94 118.68 122.70 3kpn s LEU 272 Ca -0.04 -0.65 0.07 0.00 0.02 0.00 0.00 54.13 53.53 3kpn s LEU 272 Cb -0.15 -1.05 -0.04 0.00 0.02 0.00 0.00 46.19 44.96 3kpn s LEU 272 CO -0.03 0.14 -0.14 -0.13 0.02 0.00 0.00 176.35 176.21 3kpn s ARG 273 N -1.67 1.23 0.15 1.70 0.52 -1.26 0.60 118.95 120.21 3kpn s ARG 273 Ca 0.09 -1.48 -0.33 0.00 -0.52 0.00 0.00 55.73 53.49 3kpn s ARG 273 Cb -0.10 -1.05 -0.12 0.00 0.52 0.00 0.00 34.95 34.20 3kpn s ARG 273 CO 0.04 0.18 1.72 1.87 0.02 0.00 0.00 175.30 179.12 3kpn n TRP 274 N -0.10 2.52 -3.67 -0.53 -0.00 -1.26 -4.69 117.44 109.72 3kpn n TRP 274 Ca -0.10 0.07 -0.38 0.00 -0.00 0.00 0.00 57.50 57.09 3kpn n TRP 274 Cb 0.59 -2.64 -0.09 0.00 -0.00 0.00 0.00 31.31 29.17 3kpn n TRP 274 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 3kpn s GLU 275 N 1.71 2.66 0.00 5.87 2.02 -1.26 -4.97 118.70 124.74 3kpn s GLU 275 Ca 0.80 -2.46 0.00 0.00 0.02 0.00 0.00 54.97 53.33 3kpn s GLU 275 Cb -0.58 -3.82 0.00 0.00 0.10 0.00 0.00 34.13 29.84 3kpn s GLU 275 CO 0.37 -1.18 0.43 -0.35 0.02 0.00 0.00 175.26 174.54