#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpp s SER 2 N 0.00 6.63 0.05 1.61 1.04 -1.26 -3.30 113.70 118.46 3kpp s SER 2 Ca 0.00 1.44 -0.01 0.00 0.48 0.00 0.00 55.95 57.86 3kpp s SER 2 Cb 0.00 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 3kpp s SER 2 CO 0.00 -0.49 -0.03 -1.00 0.98 0.00 0.00 173.24 172.70 3kpp s HIS 3 N -2.47 0.50 0.04 5.02 0.09 -0.24 -4.96 115.29 113.27 3kpp s HIS 3 Ca 0.57 -0.99 0.03 0.00 -0.00 0.00 0.00 55.06 54.67 3kpp s HIS 3 Cb -0.10 -0.37 -0.02 0.00 -0.00 0.00 0.00 32.58 32.09 3kpp s HIS 3 CO 0.29 -0.34 -0.09 -1.54 -0.00 0.00 0.00 174.74 173.06 3kpp s SER 4 N -2.72 1.02 -0.05 1.40 1.04 -1.26 -0.42 113.70 112.71 3kpp s SER 4 Ca 0.04 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 56.02 3kpp s SER 4 Cb 0.05 -0.00 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 3kpp s SER 4 CO -0.08 -0.13 -0.18 -0.32 0.98 0.00 0.00 173.24 173.50 3kpp s MET 5 N -1.40 1.93 -0.02 4.02 -2.45 -0.32 -0.50 119.30 120.56 3kpp s MET 5 Ca -0.06 -0.65 -0.02 0.00 -1.25 0.00 0.00 55.69 53.70 3kpp s MET 5 Cb -0.09 -1.66 0.01 0.00 1.25 0.00 0.00 34.83 34.34 3kpp s MET 5 CO 0.01 0.25 0.07 1.03 1.05 0.00 0.00 175.02 177.43 3kpp s ARG 6 N 0.04 0.08 -0.08 4.11 1.81 -0.38 -1.95 118.95 122.58 3kpp s ARG 6 Ca -0.05 0.09 0.02 0.00 -1.72 0.00 0.00 55.73 54.07 3kpp s ARG 6 Cb -0.12 0.04 -0.02 0.00 -0.45 0.00 0.00 34.95 34.39 3kpp s ARG 6 CO 0.03 -0.01 -0.12 0.71 -0.68 0.00 0.00 175.30 175.23 3kpp s TYR 7 N 0.04 2.80 -0.24 -0.53 2.02 0.00 -0.49 117.35 120.95 3kpp s TYR 7 Ca -0.00 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 3kpp s TYR 7 Cb -0.01 -1.72 0.04 0.00 -0.40 0.00 0.00 41.96 39.88 3kpp s TYR 7 CO 0.00 0.11 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.90 3kpp s PHE 8 N -0.41 3.10 -0.10 2.71 0.40 0.68 -2.00 117.98 122.36 3kpp s PHE 8 Ca 0.05 -2.02 -0.10 0.00 -0.60 0.00 0.00 56.93 54.26 3kpp s PHE 8 Cb -0.12 -1.95 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 3kpp s PHE 8 CO 0.02 -0.84 0.24 0.71 0.70 0.00 0.00 175.22 176.05 3kpp s TYR 9 N 1.19 3.60 -0.10 0.36 1.51 0.76 -1.61 117.35 123.06 3kpp s TYR 9 Ca -0.04 0.65 -0.00 0.00 -1.01 0.00 0.00 57.07 56.67 3kpp s TYR 9 Cb -0.18 -2.12 0.02 0.00 -0.11 0.00 0.00 41.96 39.58 3kpp s TYR 9 CO -0.07 0.60 -0.06 0.99 -1.11 0.00 0.00 175.55 175.89 3kpp s THR 10 N -0.69 0.90 -0.20 -0.71 2.01 0.09 -1.75 115.64 115.29 3kpp s THR 10 Ca 0.17 -0.21 -0.00 0.00 0.31 0.00 0.00 61.69 61.95 3kpp s THR 10 Cb -0.13 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.45 3kpp s THR 10 CO 0.06 0.34 -0.15 0.00 -0.69 0.00 0.00 174.62 174.18 3kpp s ALA 11 N 1.70 2.48 -0.20 7.40 0.00 -0.05 -0.83 121.76 132.25 3kpp s ALA 11 Ca 0.04 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.76 3kpp s ALA 11 Cb -0.13 -1.35 0.03 0.00 0.00 0.00 0.00 23.12 21.68 3kpp s ALA 11 CO -0.07 -0.44 -0.15 -1.64 0.00 0.00 0.00 175.76 173.46 3kpp s MET 12 N 1.33 2.49 0.60 0.00 -1.94 0.18 -0.70 119.30 121.25 3kpp s MET 12 Ca 0.04 -0.91 -0.13 0.00 -1.71 0.00 0.00 55.69 52.98 3kpp s MET 12 Cb -0.14 -2.54 -0.04 0.00 2.01 0.00 0.00 34.83 34.12 3kpp s MET 12 CO -0.10 -0.35 1.03 -1.54 -0.01 0.00 0.00 175.02 174.05 3kpp s SER 13 N 1.30 6.15 -0.49 3.03 1.04 0.17 -1.34 113.70 123.56 3kpp s SER 13 Ca 0.00 1.55 0.06 0.00 0.48 0.00 0.00 55.95 58.04 3kpp s SER 13 Cb -0.15 -2.49 0.24 0.00 0.10 0.00 0.00 66.02 63.71 3kpp s SER 13 CO -0.10 -0.92 0.88 -2.11 0.98 0.00 0.00 173.24 171.97 3kpp n ARG 14 N -2.38 0.77 -1.65 4.02 1.85 -1.26 -3.96 116.66 114.04 3kpp n ARG 14 Ca 0.07 -1.77 -0.47 0.00 -1.00 0.00 0.00 57.85 54.67 3kpp n ARG 14 Cb 0.54 -1.46 -0.05 0.00 -1.05 0.00 0.00 32.46 30.44 3kpp n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3kpp n PRO 15 N 1.69 1.91 -0.27 2.89 -0.02 -1.26 -0.70 135.00 139.24 3kpp n PRO 15 Ca 0.10 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3kpp n PRO 15 Cb 0.63 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3kpp n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpp n GLY 16 N 3.22 1.11 1.86 -1.23 0.00 -1.26 -4.88 105.19 104.01 3kpp n GLY 16 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 3kpp n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpp n ARG 17 N -2.00 2.02 0.00 1.61 1.74 0.12 -5.11 116.66 115.04 3kpp n ARG 17 Ca 0.00 -3.42 0.00 0.00 -0.77 0.00 0.00 57.85 53.66 3kpp n ARG 17 Cb 0.00 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 3kpp n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kpp n GLY 18 N -0.55 -2.84 3.84 -0.13 0.00 -1.25 -4.93 105.19 99.33 3kpp n GLY 18 Ca 0.22 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 3kpp n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kpp s GLU 19 N -0.53 3.52 0.27 1.61 0.41 -1.26 -4.57 118.70 118.14 3kpp s GLU 19 Ca 0.00 0.91 -0.30 0.00 -0.41 0.00 0.00 54.97 55.16 3kpp s GLU 19 Cb 0.00 -2.07 -0.13 0.00 -1.78 0.00 0.00 34.13 30.15 3kpp s GLU 19 CO 0.00 -0.63 1.47 -2.30 -0.49 0.00 0.00 175.26 173.31 3kpp n PRO 20 N -2.43 2.32 -2.41 0.39 -0.02 -1.26 -4.81 135.00 126.77 3kpp n PRO 20 Ca 0.07 0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 3kpp n PRO 20 Cb 0.54 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 3kpp n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kpp s ARG 21 N -0.60 4.55 -0.14 -0.52 3.52 -0.45 -4.81 118.95 120.49 3kpp s ARG 21 Ca 0.65 1.85 0.01 0.00 -0.13 0.00 0.00 55.73 58.11 3kpp s ARG 21 Cb -0.58 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 29.61 3kpp s ARG 21 CO 0.51 0.02 -0.17 0.12 -0.81 0.00 0.00 175.30 174.97 3kpp s PHE 22 N -0.48 2.29 -0.05 5.12 5.36 -1.26 -0.65 117.98 128.31 3kpp s PHE 22 Ca 0.49 -1.20 0.05 0.00 -0.96 0.00 0.00 56.93 55.31 3kpp s PHE 22 Cb -0.32 -1.63 -0.00 0.00 -0.34 0.00 0.00 43.02 40.73 3kpp s PHE 22 CO 0.39 -0.60 -0.20 0.42 -1.46 0.00 0.00 175.22 173.77 3kpp s ILE 23 N 1.12 1.63 -0.03 3.12 1.01 -0.01 -0.53 121.20 127.51 3kpp s ILE 23 Ca -0.02 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.87 3kpp s ILE 23 Cb -0.14 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 3kpp s ILE 23 CO -0.06 0.46 -0.22 -0.89 0.00 0.00 0.00 174.94 174.24 3kpp s THR 24 N 0.06 1.77 0.04 2.92 2.01 -0.16 -0.73 115.64 121.55 3kpp s THR 24 Ca -0.06 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.05 3kpp s THR 24 Cb -0.13 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 3kpp s THR 24 CO 0.03 0.50 -0.13 0.68 -0.69 0.00 0.00 174.62 175.01 3kpp s VAL 25 N -0.35 1.02 -0.03 3.82 -7.23 -0.63 -0.92 120.40 116.07 3kpp s VAL 25 Ca 0.04 -0.99 0.07 0.00 -1.81 0.00 0.00 61.98 59.29 3kpp s VAL 25 Cb -0.10 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.88 3kpp s VAL 25 CO 0.01 -0.05 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.66 3kpp s GLY 26 N -1.18 1.27 0.06 2.32 0.00 -0.38 -0.23 107.32 109.18 3kpp s GLY 26 Ca 0.00 -1.09 0.08 0.00 0.00 0.00 0.00 44.72 43.71 3kpp s GLY 26 CO 0.01 -0.82 -0.21 -0.19 0.00 0.00 0.00 173.10 171.89 3kpp s TYR 27 N -0.43 1.87 -0.18 1.90 1.51 0.36 -0.98 117.35 121.40 3kpp s TYR 27 Ca 0.05 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 3kpp s TYR 27 Cb -0.11 -1.10 -0.01 0.00 -0.11 0.00 0.00 41.96 40.63 3kpp s TYR 27 CO 0.01 0.12 -0.09 0.08 -1.11 0.00 0.00 175.55 174.56 3kpp s VAL 28 N -0.88 3.16 0.00 0.71 1.01 -0.36 -1.25 120.40 122.80 3kpp s VAL 28 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3kpp s VAL 28 Cb -0.09 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.90 3kpp s VAL 28 CO 0.02 0.48 0.00 0.47 0.00 0.00 0.00 175.10 176.07 3kpp n ASP 29 N 4.18 0.00 -1.96 3.32 8.00 0.35 -0.82 116.55 129.62 3kpp n ASP 29 Ca -0.18 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.17 3kpp n ASP 29 Cb 0.52 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.84 3kpp n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kpp n ASP 30 N 3.80 3.88 -4.22 -2.24 8.00 -1.26 -4.89 116.55 119.62 3kpp n ASP 30 Ca 0.00 -3.51 -0.35 0.00 0.71 0.00 0.00 54.79 51.64 3kpp n ASP 30 Cb 0.00 -0.77 -0.14 0.00 -0.02 0.00 0.00 41.12 40.19 3kpp n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kpp s THR 31 N -3.19 3.16 0.20 -3.53 2.01 0.00 -5.01 115.64 109.28 3kpp s THR 31 Ca 0.54 -1.10 -0.31 0.00 0.31 0.00 0.00 61.69 61.13 3kpp s THR 31 Cb 0.45 -2.70 -0.10 0.00 0.01 0.00 0.00 72.50 70.17 3kpp s THR 31 CO 0.10 0.04 1.47 -0.22 -0.69 0.00 0.00 174.62 175.33 3kpp s LEU 32 N 1.33 4.38 0.00 4.42 2.96 -1.26 -1.22 118.68 129.29 3kpp s LEU 32 Ca -0.01 2.60 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 3kpp s LEU 32 Cb -0.18 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.90 3kpp s LEU 32 CO -0.02 -0.73 0.00 2.22 -1.32 0.00 0.00 176.35 176.50 3kpp n PHE 33 N 3.10 0.00 -3.76 5.38 -1.74 -0.15 -4.16 117.46 116.12 3kpp n PHE 33 Ca 0.10 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.86 3kpp n PHE 33 Cb 0.40 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.31 3kpp n PHE 33 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3kpp s VAL 34 N -1.04 0.05 0.05 1.97 0.11 -1.21 -0.88 120.40 119.44 3kpp s VAL 34 Ca 0.00 -0.40 -0.03 0.00 -2.93 0.00 0.00 61.98 58.62 3kpp s VAL 34 Cb 0.00 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 3kpp s VAL 34 CO 0.00 -0.22 0.03 0.00 -3.33 0.00 0.00 175.10 171.58 3kpp s ARG 35 N -1.09 0.61 -0.11 1.54 1.70 -0.65 -1.24 118.95 119.71 3kpp s ARG 35 Ca -0.11 -1.00 -0.08 0.00 -0.47 0.00 0.00 55.73 54.07 3kpp s ARG 35 Cb -0.05 0.22 0.04 0.00 -0.57 0.00 0.00 34.95 34.59 3kpp s ARG 35 CO 0.04 -0.14 0.28 0.12 -1.08 0.00 0.00 175.30 174.52 3kpp s PHE 36 N -3.33 -0.35 -0.06 5.89 2.19 -0.10 -0.66 117.98 121.56 3kpp s PHE 36 Ca 0.01 0.82 -0.01 0.00 0.33 0.00 0.00 56.93 58.07 3kpp s PHE 36 Cb 0.03 0.10 0.03 0.00 -1.31 0.00 0.00 43.02 41.87 3kpp s PHE 36 CO -0.08 -0.21 0.02 0.34 1.83 0.00 0.00 175.22 177.12 3kpp s ASP 37 N 0.78 1.48 0.44 6.13 -1.08 -1.26 -0.98 116.67 122.17 3kpp s ASP 37 Ca -0.05 -0.05 0.30 0.00 -0.52 0.00 0.00 52.55 52.23 3kpp s ASP 37 Cb -0.06 -0.37 1.49 0.00 -1.46 0.00 0.00 42.92 42.52 3kpp s ASP 37 CO -0.05 -0.21 1.92 0.77 0.52 0.00 0.00 175.17 178.12 3kpp h SER 38 N 8.35 0.00 0.11 -0.34 4.64 -1.21 -1.49 113.55 123.61 3kpp h SER 38 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3kpp h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3kpp h SER 38 CO 0.24 0.00 -0.06 0.47 -0.87 0.00 0.00 176.83 176.61 3kpp n ASP 39 N -2.61 0.88 -4.69 4.97 8.00 -1.26 -4.83 116.55 117.01 3kpp n ASP 39 Ca -0.01 -1.09 -0.31 0.00 0.71 0.00 0.00 54.79 54.09 3kpp n ASP 39 Cb 0.14 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.39 3kpp n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kpp s ALA 40 N -2.18 1.62 0.11 2.24 0.00 -0.56 -4.93 121.76 118.06 3kpp s ALA 40 Ca 0.36 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 52.72 3kpp s ALA 40 Cb 0.21 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 3kpp s ALA 40 CO 0.40 -2.57 1.64 1.15 0.00 0.00 0.00 175.76 176.38 3kpp h THR 41 N -1.65 1.19 -2.70 0.00 2.02 -1.91 -3.30 112.91 106.55 3kpp h THR 41 Ca -0.43 -0.58 -0.60 0.00 0.77 0.00 0.00 66.41 65.57 3kpp h THR 41 Cb 1.27 1.03 -0.39 0.00 -1.74 0.00 0.00 68.15 68.31 3kpp h THR 41 CO 0.43 0.20 -0.82 -0.44 0.37 0.00 0.00 175.52 175.26 3kpp s SER 42 N -5.74 2.91 -0.06 4.18 0.01 -1.26 -5.10 113.70 108.64 3kpp s SER 42 Ca -0.13 -2.89 -0.36 0.00 1.31 0.00 0.00 55.95 53.87 3kpp s SER 42 Cb 0.09 -0.79 -0.14 0.00 0.21 0.00 0.00 66.02 65.38 3kpp s SER 42 CO 0.73 -0.21 1.65 -2.65 0.41 0.00 0.00 173.24 173.17 3kpp n PRO 43 N 3.14 1.62 -3.83 12.44 -0.02 -1.25 -4.98 135.00 142.14 3kpp n PRO 43 Ca 0.19 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 62.16 3kpp n PRO 43 Cb 0.40 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 3kpp n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3kpp s ARG 44 N 2.46 0.84 0.14 -0.52 1.70 -1.26 -5.03 118.95 117.28 3kpp s ARG 44 Ca 0.90 -0.86 -0.31 0.00 -0.47 0.00 0.00 55.73 54.98 3kpp s ARG 44 Cb -0.86 0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 33.77 3kpp s ARG 44 CO 0.52 -0.27 1.57 0.15 -1.08 0.00 0.00 175.30 176.19 3kpp s LYS 45 N -3.59 4.22 0.00 3.89 -0.14 -1.26 -4.45 119.74 118.41 3kpp s LYS 45 Ca 0.03 2.33 0.06 0.00 -1.36 0.00 0.00 55.97 57.03 3kpp s LYS 45 Cb 0.03 -3.27 -0.02 0.00 -1.68 0.00 0.00 37.83 32.90 3kpp s LYS 45 CO -0.10 -0.62 -0.20 -1.21 -0.76 0.00 0.00 175.35 172.46 3kpp s GLU 46 N 1.49 1.53 0.37 1.68 2.02 0.17 -4.91 118.70 121.04 3kpp s GLU 46 Ca 0.70 -0.76 -0.26 0.00 0.02 0.00 0.00 54.97 54.67 3kpp s GLU 46 Cb -0.42 -1.52 -0.09 0.00 0.10 0.00 0.00 34.13 32.20 3kpp s GLU 46 CO 0.31 0.41 1.17 -1.25 0.02 0.00 0.00 175.26 175.92 3kpp s PRO 47 N -0.65 4.22 -0.01 0.39 0.04 -1.26 -1.63 135.00 136.09 3kpp s PRO 47 Ca 0.07 1.86 0.02 0.00 0.04 0.00 0.00 61.00 63.00 3kpp s PRO 47 Cb -0.08 -2.82 0.03 0.00 0.04 0.00 0.00 34.50 31.67 3kpp s PRO 47 CO -0.00 -0.18 0.80 0.54 0.04 0.00 0.00 177.00 178.19 3kpp n ARG 48 N 0.39 1.03 -3.77 4.56 5.12 -0.06 -4.87 116.66 119.05 3kpp n ARG 48 Ca 0.03 -1.10 -0.13 0.00 -1.93 0.00 0.00 57.85 54.72 3kpp n ARG 48 Cb 0.46 -0.76 -0.10 0.00 -1.16 0.00 0.00 32.46 30.90 3kpp n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kpp s ALA 49 N -0.60 -0.76 0.30 7.54 0.00 -1.24 -4.58 121.76 122.42 3kpp s ALA 49 Ca 0.03 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 52.71 3kpp s ALA 49 Cb 0.03 -0.36 0.49 0.00 0.00 0.00 0.00 23.12 23.28 3kpp s ALA 49 CO 0.00 -0.18 1.94 -1.00 0.00 0.00 0.00 175.76 176.52 3kpp h PRO 50 N 5.20 1.04 0.00 0.00 0.13 -1.94 -2.78 132.00 133.64 3kpp h PRO 50 Ca -0.27 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3kpp h PRO 50 Cb 1.19 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3kpp h PRO 50 CO 0.33 0.69 0.00 0.11 -0.23 0.00 0.00 178.00 178.90 3kpp h TRP 51 N 1.07 0.00 0.00 1.56 5.08 -1.98 -2.26 115.95 119.42 3kpp h TRP 51 Ca 0.35 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.32 3kpp h TRP 51 Cb 0.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 3kpp h TRP 51 CO -0.00 0.00 -0.42 1.51 -1.28 0.00 0.00 178.44 178.25 3kpp n ILE 52 N -2.59 0.34 0.24 0.12 0.13 -1.05 -3.99 119.36 112.56 3kpp n ILE 52 Ca 0.01 -0.22 0.12 0.00 -1.10 0.00 0.00 62.75 61.55 3kpp n ILE 52 Cb 0.24 -0.21 0.60 0.00 -0.84 0.00 0.00 39.64 39.43 3kpp n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3kpp h GLU 53 N 0.00 0.00 -0.79 9.51 5.08 -1.50 -2.35 114.58 124.53 3kpp h GLU 53 Ca 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 3kpp h GLU 53 Cb 0.70 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3kpp h GLU 53 CO 0.00 0.17 0.59 0.37 -1.00 0.00 0.00 179.01 179.14 3kpp h GLN 54 N 0.00 0.00 -6.76 2.33 4.15 -1.73 -3.44 115.11 109.66 3kpp h GLN 54 Ca -0.00 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.90 3kpp h GLN 54 Cb 0.54 0.00 0.04 0.00 0.21 0.00 0.00 27.48 28.27 3kpp h GLN 54 CO 0.02 0.00 0.64 -1.21 -1.93 0.00 0.00 178.83 176.35 3kpp s GLU 55 N -4.93 4.40 1.16 1.69 0.41 -0.89 -4.99 118.70 115.54 3kpp s GLU 55 Ca -0.05 2.10 -0.16 0.00 -0.41 0.00 0.00 54.97 56.45 3kpp s GLU 55 Cb 0.20 -3.15 0.27 0.00 -1.78 0.00 0.00 34.13 29.67 3kpp s GLU 55 CO 0.74 -0.19 1.07 0.20 -0.49 0.00 0.00 175.26 176.59 3kpp s GLY 56 N -0.07 1.55 0.53 -1.39 0.00 -1.26 -4.85 107.32 101.83 3kpp s GLY 56 Ca 0.53 -0.62 0.20 0.00 0.00 0.00 0.00 44.72 44.82 3kpp s GLY 56 CO 0.44 0.16 2.13 -0.56 0.00 0.00 0.00 173.10 175.27 3kpp h PRO 57 N -2.47 0.00 -0.42 2.90 0.13 -1.96 -2.73 132.00 127.45 3kpp h PRO 57 Ca -0.51 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 3kpp h PRO 57 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 3kpp h PRO 57 CO 0.44 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.15 3kpp h GLU 58 N 0.00 0.74 -0.20 0.86 3.07 -1.99 -0.86 114.58 116.20 3kpp h GLU 58 Ca 0.05 -0.24 0.05 0.00 -0.50 0.00 0.00 59.36 58.72 3kpp h GLU 58 Cb 0.19 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 27.98 3kpp h GLU 58 CO -0.00 0.82 -0.14 -0.92 -1.40 0.00 0.00 179.01 177.37 3kpp h TYR 59 N 0.58 -0.34 -0.71 4.33 3.20 -1.83 0.17 116.97 122.38 3kpp h TYR 59 Ca 0.12 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 3kpp h TYR 59 Cb 0.48 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 3kpp h TYR 59 CO 0.04 -0.20 0.20 -1.49 -1.64 0.00 0.00 178.16 175.06 3kpp h TRP 60 N -0.13 1.16 0.21 -3.82 4.06 -1.42 0.47 115.95 116.48 3kpp h TRP 60 Ca 0.12 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 3kpp h TRP 60 Cb 0.31 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 3kpp h TRP 60 CO -0.29 0.93 -0.10 -0.44 -3.56 0.00 0.00 178.44 174.98 3kpp h ASP 61 N 1.05 -0.24 -0.34 -3.49 3.32 -1.01 -0.11 116.42 115.60 3kpp h ASP 61 Ca 0.22 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.27 3kpp h ASP 61 Cb 0.34 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3kpp h ASP 61 CO -0.00 -0.14 0.19 -0.09 -1.72 0.00 0.00 179.24 177.48 3kpp h ARG 62 N -0.32 0.38 -0.59 3.56 2.43 -0.73 -0.19 114.38 118.92 3kpp h ARG 62 Ca -0.03 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3kpp h ARG 62 Cb 0.24 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3kpp h ARG 62 CO 0.05 0.25 0.14 0.93 -1.51 0.00 0.00 179.97 179.83 3kpp h GLU 63 N 0.39 0.95 -0.50 0.20 4.39 -0.92 -2.35 114.58 116.74 3kpp h GLU 63 Ca 0.14 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3kpp h GLU 63 Cb 0.02 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 3kpp h GLU 63 CO -0.08 0.88 0.27 1.15 -1.16 0.00 0.00 179.01 180.07 3kpp h THR 64 N 0.86 1.17 -0.98 1.13 2.02 -0.79 -2.71 112.91 113.61 3kpp h THR 64 Ca 0.19 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3kpp h THR 64 Cb 0.35 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 3kpp h THR 64 CO 0.00 0.18 0.63 -0.61 0.37 0.00 0.00 175.52 176.10 3kpp h GLN 65 N 0.66 1.31 -0.02 6.66 5.75 -0.76 0.06 115.11 128.77 3kpp h GLN 65 Ca 0.18 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.59 3kpp h GLN 65 Cb 0.05 -0.29 -0.01 0.00 1.07 0.00 0.00 27.48 28.30 3kpp h GLN 65 CO -0.03 0.88 -0.03 0.82 -2.65 0.00 0.00 178.83 177.83 3kpp h ILE 66 N 1.34 0.91 -0.76 2.39 2.04 -1.32 -0.70 117.51 121.42 3kpp h ILE 66 Ca 0.36 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.18 3kpp h ILE 66 Cb -0.12 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3kpp h ILE 66 CO -0.07 0.00 0.34 0.28 0.00 0.00 0.00 178.15 178.69 3kpp h SER 67 N -0.04 1.01 -0.51 1.72 0.02 -1.14 0.83 113.55 115.44 3kpp h SER 67 Ca 0.02 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 3kpp h SER 67 Cb 0.07 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3kpp h SER 67 CO -0.05 0.88 -0.07 0.11 -1.14 0.00 0.00 176.83 176.56 3kpp h LYS 68 N 1.09 0.95 -0.50 3.45 1.57 -0.71 -0.40 116.57 122.02 3kpp h LYS 68 Ca 0.26 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3kpp h LYS 68 Cb 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3kpp h LYS 68 CO -0.03 1.00 0.13 1.15 -0.57 0.00 0.00 179.45 181.14 3kpp h THR 69 N 0.81 1.24 -0.84 -0.16 2.02 -0.97 -3.01 112.91 111.99 3kpp h THR 69 Ca 0.13 -0.82 0.10 0.00 0.77 0.00 0.00 66.41 66.59 3kpp h THR 69 Cb 0.62 0.82 -0.08 0.00 -1.74 0.00 0.00 68.15 67.77 3kpp h THR 69 CO 0.04 0.30 0.48 0.78 0.37 0.00 0.00 175.52 177.49 3kpp h ASN 70 N 0.69 0.68 -0.78 4.18 -0.26 -0.53 0.23 115.58 119.79 3kpp h ASN 70 Ca 0.16 0.05 0.13 0.00 -0.56 0.00 0.00 56.30 56.09 3kpp h ASN 70 Cb 0.31 -0.08 -0.09 0.00 -1.06 0.00 0.00 38.32 37.41 3kpp h ASN 70 CO -0.00 0.37 0.36 0.74 -1.06 0.00 0.00 177.43 177.85 3kpp h THR 71 N 0.79 0.72 -0.04 2.81 2.02 -0.94 0.26 112.91 118.54 3kpp h THR 71 Ca 0.41 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.33 3kpp h THR 71 Cb 0.40 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3kpp h THR 71 CO -0.26 0.10 -0.27 1.56 0.37 0.00 0.00 175.52 177.02 3kpp h GLN 72 N 0.54 0.25 -0.35 6.66 1.08 -1.31 -2.53 115.11 119.44 3kpp h GLN 72 Ca 0.42 -0.22 0.07 0.00 -1.45 0.00 0.00 58.65 57.48 3kpp h GLN 72 Cb 0.58 0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 27.98 3kpp h GLN 72 CO -0.36 0.89 -0.31 1.15 -0.95 0.00 0.00 178.83 179.25 3kpp h THR 73 N -0.32 0.26 0.00 -0.54 2.02 -0.63 -1.74 112.91 111.97 3kpp h THR 73 Ca -0.02 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 3kpp h THR 73 Cb 0.95 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3kpp h THR 73 CO 0.05 0.00 -0.28 1.88 0.37 0.00 0.00 175.52 177.55 3kpp h TYR 74 N -0.26 0.00 -0.38 3.16 0.05 -0.53 0.10 116.97 119.12 3kpp h TYR 74 Ca 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 3kpp h TYR 74 Cb 0.52 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 3kpp h TYR 74 CO -0.50 0.28 0.15 0.00 -1.05 0.00 0.00 178.16 177.03 3kpp h ARG 75 N 0.00 0.56 -0.46 4.88 3.08 -1.12 -0.51 114.38 120.82 3kpp h ARG 75 Ca -0.00 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 3kpp h ARG 75 Cb 0.78 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 3kpp h ARG 75 CO 0.04 0.55 0.27 1.49 -1.07 0.00 0.00 179.97 181.24 3kpp h GLU 76 N 0.46 0.62 -0.71 0.04 4.57 -0.59 -2.13 114.58 116.84 3kpp h GLU 76 Ca 0.12 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.31 3kpp h GLU 76 Cb 0.20 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 3kpp h GLU 76 CO -0.01 0.47 0.40 -0.91 -1.18 0.00 0.00 179.01 177.78 3kpp h ASN 77 N 0.60 0.59 -0.55 1.04 -0.26 -0.70 -0.44 115.58 115.86 3kpp h ASN 77 Ca 0.16 0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.90 3kpp h ASN 77 Cb 0.01 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 3kpp h ASN 77 CO -0.03 0.37 0.20 -0.07 -1.06 0.00 0.00 177.43 176.84 3kpp h LEU 78 N 0.72 0.79 -0.63 1.61 3.38 -0.92 0.38 115.31 120.64 3kpp h LEU 78 Ca 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3kpp h LEU 78 Cb 0.21 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3kpp h LEU 78 CO -0.19 0.76 0.28 0.03 0.09 0.00 0.00 178.44 179.41 3kpp h ARG 79 N 0.76 0.92 -0.29 1.13 3.08 -0.92 -2.44 114.38 116.63 3kpp h ARG 79 Ca 0.18 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3kpp h ARG 79 Cb 0.24 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3kpp h ARG 79 CO -0.01 0.76 0.11 1.15 -1.07 0.00 0.00 179.97 180.90 3kpp h THR 80 N 0.88 1.19 -0.91 2.04 2.02 -0.78 -2.93 112.91 114.42 3kpp h THR 80 Ca 0.21 -0.59 0.09 0.00 0.77 0.00 0.00 66.41 66.90 3kpp h THR 80 Cb 0.15 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 3kpp h THR 80 CO -0.02 0.20 0.59 0.00 0.37 0.00 0.00 175.52 176.65 3kpp h ALA 81 N 0.95 1.58 -0.54 6.16 0.00 -0.76 -0.88 119.26 125.76 3kpp h ALA 81 Ca 0.10 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3kpp h ALA 81 Cb 0.21 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3kpp h ALA 81 CO -0.01 0.25 0.22 -0.07 0.00 0.00 0.00 179.25 179.64 3kpp h LEU 82 N 0.95 0.25 -0.25 0.00 3.38 -1.26 -1.42 115.31 116.94 3kpp h LEU 82 Ca 0.41 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.39 3kpp h LEU 82 Cb 0.34 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3kpp h LEU 82 CO -0.17 0.16 -0.02 0.03 0.09 0.00 0.00 178.44 178.53 3kpp h ARG 83 N 0.41 0.45 0.00 1.13 3.08 -1.16 0.53 114.38 118.83 3kpp h ARG 83 Ca 0.26 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3kpp h ARG 83 Cb 0.27 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3kpp h ARG 83 CO -0.24 0.64 -0.04 1.88 -1.07 0.00 0.00 179.97 181.14 3kpp h TYR 84 N 0.22 0.00 -0.42 3.04 -1.99 -0.90 -1.65 116.97 115.27 3kpp h TYR 84 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3kpp h TYR 84 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.18 3kpp h TYR 84 CO 0.04 0.04 0.00 0.66 -0.00 0.00 0.00 178.16 178.90 3kpp n TYR 85 N -4.12 0.56 -3.83 4.88 4.01 -0.56 -4.75 117.16 113.35 3kpp n TYR 85 Ca -0.03 -0.47 -0.27 0.00 -0.16 0.00 0.00 57.90 56.97 3kpp n TYR 85 Cb 0.12 -0.02 0.03 0.00 -0.31 0.00 0.00 39.34 39.16 3kpp n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3kpp n ASN 86 N 0.80 -3.89 -4.91 7.72 3.02 -0.59 -4.96 115.26 112.45 3kpp n ASN 86 Ca 0.15 -0.77 -0.25 0.00 -0.03 0.00 0.00 54.58 53.67 3kpp n ASN 86 Cb 0.47 -4.03 -0.03 0.00 -0.61 0.00 0.00 39.78 35.58 3kpp n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kpp s GLN 87 N -6.41 3.28 0.56 3.52 -0.21 0.08 -5.03 119.66 115.44 3kpp s GLN 87 Ca 0.47 -0.72 -0.13 0.00 0.02 0.00 0.00 55.36 54.99 3kpp s GLN 87 Cb -0.23 -2.85 -0.06 0.00 1.00 0.00 0.00 33.01 30.87 3kpp s GLN 87 CO 0.82 0.49 0.99 -1.54 -2.12 0.00 0.00 175.29 173.93 3kpp s SER 88 N -3.38 6.40 0.00 5.90 1.04 -1.26 -4.73 113.70 117.67 3kpp s SER 88 Ca 0.33 1.45 0.13 0.00 0.48 0.00 0.00 55.95 58.35 3kpp s SER 88 Cb -0.10 -2.47 0.77 0.00 0.10 0.00 0.00 66.02 64.32 3kpp s SER 88 CO 0.27 -0.73 1.45 -0.62 0.98 0.00 0.00 173.24 174.59 3kpp n GLU 89 N -2.21 0.94 0.13 4.02 1.02 -1.26 -3.68 120.64 119.60 3kpp n GLU 89 Ca 0.06 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.25 3kpp n GLU 89 Cb 0.54 -1.22 0.03 0.00 -0.02 0.00 0.00 31.44 30.78 3kpp n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kpp h ALA 90 N 3.30 0.71 -2.54 0.62 0.00 -1.99 -3.45 119.26 115.92 3kpp h ALA 90 Ca 0.00 -0.39 -0.54 0.00 0.00 0.00 0.00 54.91 53.98 3kpp h ALA 90 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kpp h ALA 90 CO 0.00 0.49 -0.28 0.20 0.00 0.00 0.00 179.25 179.65 3kpp s GLY 91 N -4.46 1.89 -0.04 0.00 0.00 -1.24 -4.74 107.32 98.72 3kpp s GLY 91 Ca 0.03 -0.72 -0.19 0.00 0.00 0.00 0.00 44.72 43.84 3kpp s GLY 91 CO 0.75 -0.65 0.53 -0.45 0.00 0.00 0.00 173.10 173.27 3kpp s SER 92 N -3.03 6.86 0.13 1.64 0.15 -1.26 -4.66 113.70 113.53 3kpp s SER 92 Ca 0.40 1.02 0.04 0.00 0.70 0.00 0.00 55.95 58.11 3kpp s SER 92 Cb -0.11 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 3kpp s SER 92 CO 0.28 0.11 -0.10 -1.00 1.20 0.00 0.00 173.24 173.74 3kpp s HIS 93 N -0.12 1.15 -0.08 3.44 3.76 -1.25 -4.95 115.29 117.24 3kpp s HIS 93 Ca 0.28 -0.76 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 3kpp s HIS 93 Cb -0.17 -0.61 0.02 0.00 1.11 0.00 0.00 32.58 32.93 3kpp s HIS 93 CO 0.14 0.02 -0.10 0.42 -0.85 0.00 0.00 174.74 174.37 3kpp s ILE 94 N -3.17 1.05 -0.12 0.60 1.01 -1.26 -0.65 121.20 118.66 3kpp s ILE 94 Ca 0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3kpp s ILE 94 Cb 0.02 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3kpp s ILE 94 CO -0.01 0.35 0.07 -0.63 0.00 0.00 0.00 174.94 174.72 3kpp s ILE 95 N 1.05 4.89 0.10 2.92 1.01 0.12 -0.00 121.20 131.29 3kpp s ILE 95 Ca -0.07 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.63 3kpp s ILE 95 Cb -0.15 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 3kpp s ILE 95 CO -0.01 0.59 -0.18 -1.10 0.00 0.00 0.00 174.94 174.24 3kpp s GLN 96 N -0.73 1.03 -0.01 2.79 -0.21 -0.93 -0.87 119.66 120.72 3kpp s GLN 96 Ca 0.12 -1.13 -0.01 0.00 0.02 0.00 0.00 55.36 54.37 3kpp s GLN 96 Cb -0.12 -1.16 0.01 0.00 1.00 0.00 0.00 33.01 32.74 3kpp s GLN 96 CO 0.03 0.26 0.03 0.50 -2.12 0.00 0.00 175.29 173.98 3kpp s ARG 97 N -2.01 0.01 -0.08 2.91 3.52 -0.72 -0.23 118.95 122.35 3kpp s ARG 97 Ca 0.05 0.08 0.03 0.00 -0.13 0.00 0.00 55.73 55.75 3kpp s ARG 97 Cb -0.09 -0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.25 3kpp s ARG 97 CO 0.04 -0.05 -0.15 0.00 -0.81 0.00 0.00 175.30 174.32 3kpp s MET 98 N 0.32 2.07 0.12 5.12 0.23 -0.22 -0.17 119.30 126.78 3kpp s MET 98 Ca -0.03 -0.54 -0.07 0.00 -1.03 0.00 0.00 55.69 54.02 3kpp s MET 98 Cb -0.04 -1.66 -0.01 0.00 -1.53 0.00 0.00 34.83 31.59 3kpp s MET 98 CO -0.01 0.06 0.19 1.52 -2.03 0.00 0.00 175.02 174.75 3kpp s TYR 99 N 0.60 0.35 -5.00 3.16 1.13 -0.85 -0.80 117.35 115.94 3kpp s TYR 99 Ca -0.15 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 54.75 3kpp s TYR 99 Cb -0.16 -0.13 0.00 0.00 -1.10 0.00 0.00 41.96 40.57 3kpp s TYR 99 CO 0.05 -0.59 0.00 0.41 -2.51 0.00 0.00 175.55 172.91 3kpp n GLY 100 N -0.11 -0.08 3.05 5.49 0.00 -0.69 -0.82 105.19 112.03 3kpp n GLY 100 Ca -0.11 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 3kpp n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpp s ASP 102 N -1.81 4.15 0.15 0.00 1.01 0.17 -1.18 116.67 119.15 3kpp s ASP 102 Ca -0.10 -0.21 0.10 0.00 0.71 0.00 0.00 52.55 53.04 3kpp s ASP 102 Cb -0.05 -1.21 -0.04 0.00 1.01 0.00 0.00 42.92 42.63 3kpp s ASP 102 CO -0.03 0.28 -0.19 0.68 0.21 0.00 0.00 175.17 176.12 3kpp s VAL 103 N -0.30 2.71 0.89 -1.27 -7.23 0.44 0.34 120.40 115.98 3kpp s VAL 103 Ca 0.03 -1.71 -0.13 0.00 -1.81 0.00 0.00 61.98 58.36 3kpp s VAL 103 Cb -0.13 -2.27 0.16 0.00 0.56 0.00 0.00 36.38 34.70 3kpp s VAL 103 CO 0.03 -0.00 1.24 -0.83 -0.31 0.00 0.00 175.10 175.22 3kpp s GLY 104 N -2.41 1.73 0.41 2.32 0.00 -0.24 -1.08 107.32 108.05 3kpp s GLY 104 Ca 0.20 -1.10 0.18 0.00 0.00 0.00 0.00 44.72 43.99 3kpp s GLY 104 CO 0.10 -0.44 1.83 -2.55 0.00 0.00 0.00 173.10 172.04 3kpp h PRO 105 N -1.34 0.40 0.00 2.90 0.11 -1.90 0.43 132.00 132.60 3kpp h PRO 105 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kpp h PRO 105 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kpp h PRO 105 CO 0.46 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3kpp n ASP 106 N -4.54 0.00 0.00 -2.05 5.68 -1.26 -4.92 116.55 109.46 3kpp n ASP 106 Ca 0.21 -1.17 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 3kpp n ASP 106 Cb 0.75 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 3kpp n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kpp n GLY 107 N 0.78 0.89 3.79 6.12 0.00 0.15 -5.02 105.19 111.89 3kpp n GLY 107 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3kpp n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kpp s ARG 108 N -0.04 4.02 0.09 1.61 0.52 -1.26 -4.69 118.95 119.20 3kpp s ARG 108 Ca 0.00 1.41 -0.31 0.00 -0.52 0.00 0.00 55.73 56.31 3kpp s ARG 108 Cb 0.00 -2.32 -0.10 0.00 0.52 0.00 0.00 34.95 33.05 3kpp s ARG 108 CO 0.00 -0.25 1.89 -0.11 0.02 0.00 0.00 175.30 176.85 3kpp n LEU 109 N -0.50 4.09 -0.07 2.53 7.94 -1.26 -1.08 117.00 128.65 3kpp n LEU 109 Ca 0.07 0.95 -0.22 0.00 -1.11 0.00 0.00 56.01 55.70 3kpp n LEU 109 Cb 0.51 -1.54 -0.12 0.00 0.53 0.00 0.00 43.42 42.80 3kpp n LEU 109 CO 0.42 0.19 -0.85 0.18 -1.11 0.00 0.00 177.39 176.21 3kpp n LEU 110 N 6.38 2.28 -3.57 -1.96 4.77 0.15 -4.85 117.00 120.20 3kpp n LEU 110 Ca 0.19 0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 56.35 3kpp n LEU 110 Cb 0.38 -1.00 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 3kpp n LEU 110 CO 0.67 0.60 0.81 0.00 -1.33 0.00 0.00 177.39 178.14 3kpp s ARG 111 N -2.47 0.57 0.22 3.23 1.70 -1.15 -5.00 118.95 116.05 3kpp s ARG 111 Ca -0.29 0.01 0.08 0.00 -0.47 0.00 0.00 55.73 55.06 3kpp s ARG 111 Cb 0.08 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 3kpp s ARG 111 CO 0.64 -0.20 0.05 0.20 -1.08 0.00 0.00 175.30 174.91 3kpp s GLY 112 N -1.53 1.63 0.02 3.88 0.00 -1.26 -0.66 107.32 109.40 3kpp s GLY 112 Ca 0.02 -1.47 0.01 0.00 0.00 0.00 0.00 44.72 43.27 3kpp s GLY 112 CO -0.02 -1.51 -0.04 -0.19 0.00 0.00 0.00 173.10 171.33 3kpp s TYR 113 N -2.04 0.36 -0.31 1.90 1.51 0.50 -4.82 117.35 114.45 3kpp s TYR 113 Ca 0.30 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 56.05 3kpp s TYR 113 Cb -0.08 -0.23 0.19 0.00 -0.11 0.00 0.00 41.96 41.73 3kpp s TYR 113 CO 0.21 -0.10 0.55 0.34 -1.11 0.00 0.00 175.55 175.44 3kpp s ASP 114 N -1.05 -1.09 0.02 2.29 2.15 -1.26 -1.71 116.67 116.02 3kpp s ASP 114 Ca -0.09 -0.11 0.08 0.00 0.43 0.00 0.00 52.55 52.86 3kpp s ASP 114 Cb -0.07 1.78 -0.02 0.00 -0.30 0.00 0.00 42.92 44.30 3kpp s ASP 114 CO -0.00 -0.29 -0.24 -1.10 -0.17 0.00 0.00 175.17 173.36 3kpp s GLN 115 N 2.60 1.76 0.08 4.34 -0.21 0.02 -0.22 119.66 128.02 3kpp s GLN 115 Ca 0.11 -0.97 0.07 0.00 0.02 0.00 0.00 55.36 54.59 3kpp s GLN 115 Cb -0.10 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 32.06 3kpp s GLN 115 CO -0.24 0.48 -0.18 0.71 -2.12 0.00 0.00 175.29 173.94 3kpp s TYR 116 N -0.70 1.54 0.13 0.91 1.51 0.71 -1.05 117.35 120.41 3kpp s TYR 116 Ca 0.10 -0.41 0.06 0.00 -1.01 0.00 0.00 57.07 55.80 3kpp s TYR 116 Cb -0.09 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 3kpp s TYR 116 CO 0.01 0.12 -0.14 0.00 -1.11 0.00 0.00 175.55 174.43 3kpp s ALA 117 N -1.09 1.55 -0.07 3.71 0.00 0.68 -0.77 121.76 125.78 3kpp s ALA 117 Ca 0.03 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3kpp s ALA 117 Cb -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3kpp s ALA 117 CO 0.03 0.07 -0.05 -0.47 0.00 0.00 0.00 175.76 175.34 3kpp s TYR 118 N -2.39 0.96 -1.63 0.00 5.04 0.30 -2.19 117.35 117.43 3kpp s TYR 118 Ca 0.12 -0.34 -0.13 0.00 -2.44 0.00 0.00 57.07 54.27 3kpp s TYR 118 Cb -0.03 -0.86 0.12 0.00 0.35 0.00 0.00 41.96 41.53 3kpp s TYR 118 CO 0.03 -0.30 0.66 -0.25 -1.34 0.00 0.00 175.55 174.35 3kpp n ASP 119 N 4.47 -2.39 0.00 4.32 8.00 0.99 -1.55 116.55 130.39 3kpp n ASP 119 Ca -0.18 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.30 3kpp n ASP 119 Cb 0.51 -2.75 0.00 0.00 -0.02 0.00 0.00 41.12 38.85 3kpp n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpp n GLY 120 N -1.59 0.64 3.52 0.44 0.00 -1.26 -5.02 105.19 101.92 3kpp n GLY 120 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3kpp n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpp s LYS 121 N -0.13 2.36 0.15 1.61 1.02 -0.60 -5.08 119.74 119.06 3kpp s LYS 121 Ca 0.00 -0.82 -0.33 0.00 0.02 0.00 0.00 55.97 54.84 3kpp s LYS 121 Cb 0.00 -2.36 -0.17 0.00 -0.52 0.00 0.00 37.83 34.78 3kpp s LYS 121 CO 0.00 0.58 1.03 -0.25 -0.92 0.00 0.00 175.35 175.79 3kpp n ASP 122 N 1.67 0.62 0.00 2.83 9.92 -1.26 -0.54 116.55 129.79 3kpp n ASP 122 Ca -0.16 1.14 -0.00 0.00 -0.53 0.00 0.00 54.79 55.24 3kpp n ASP 122 Cb 0.52 -1.11 -0.00 0.00 -0.64 0.00 0.00 41.12 39.89 3kpp n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kpp n TYR 123 N 1.20 0.00 -3.84 1.24 9.36 0.05 -4.66 117.16 120.51 3kpp n TYR 123 Ca 0.16 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.27 3kpp n TYR 123 Cb 0.22 -0.02 -0.11 0.00 -0.63 0.00 0.00 39.34 38.80 3kpp n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3kpp s ILE 124 N -1.21 0.05 -0.04 2.97 2.07 -1.14 -0.78 121.20 123.12 3kpp s ILE 124 Ca -0.01 -0.40 -0.03 0.00 -1.41 0.00 0.00 60.65 58.80 3kpp s ILE 124 Cb 0.00 -0.37 0.02 0.00 0.13 0.00 0.00 42.46 42.24 3kpp s ILE 124 CO 0.02 -0.22 0.10 0.00 -1.91 0.00 0.00 174.94 172.92 3kpp s ALA 125 N -0.78 -0.20 0.16 1.50 0.00 -0.33 -0.21 121.76 121.90 3kpp s ALA 125 Ca -0.09 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.94 3kpp s ALA 125 Cb -0.05 -0.24 -0.08 0.00 0.00 0.00 0.00 23.12 22.74 3kpp s ALA 125 CO 0.01 -0.08 1.38 -1.17 0.00 0.00 0.00 175.76 175.90 3kpp s LEU 126 N 0.47 4.39 0.87 0.00 2.96 0.69 -0.82 118.68 127.24 3kpp s LEU 126 Ca -0.04 2.40 -0.12 0.00 -0.22 0.00 0.00 54.13 56.15 3kpp s LEU 126 Cb -0.05 -3.60 0.11 0.00 0.50 0.00 0.00 46.19 43.16 3kpp s LEU 126 CO -0.02 -0.63 1.11 0.20 -1.32 0.00 0.00 176.35 175.69 3kpp s ASN 127 N 0.80 3.82 0.54 3.68 0.01 0.73 -4.58 114.94 119.94 3kpp s ASN 127 Ca 0.62 1.22 0.23 0.00 -0.71 0.00 0.00 52.86 54.21 3kpp s ASN 127 Cb -0.38 -1.88 1.47 0.00 0.41 0.00 0.00 41.25 40.87 3kpp s ASN 127 CO 0.34 -2.39 2.15 -0.08 -1.51 0.00 0.00 177.10 175.62 3kpp h GLU 128 N -1.38 0.00 0.00 -0.60 4.81 -1.88 0.23 114.58 115.77 3kpp h GLU 128 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3kpp h GLU 128 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3kpp h GLU 128 CO 0.59 0.05 0.00 -0.40 -0.73 0.00 0.00 179.01 178.52 3kpp n ASP 129 N -4.09 0.55 -2.31 1.04 5.75 -1.26 -4.77 116.55 111.46 3kpp n ASP 129 Ca -0.03 0.72 -0.17 0.00 -0.01 0.00 0.00 54.79 55.30 3kpp n ASP 129 Cb 0.14 -0.80 -0.02 0.00 -1.03 0.00 0.00 41.12 39.41 3kpp n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3kpp n LEU 130 N -2.20 -1.56 0.00 -2.12 4.77 0.07 -4.78 117.00 111.18 3kpp n LEU 130 Ca -0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3kpp n LEU 130 Cb 0.08 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 38.59 3kpp n LEU 130 CO 0.12 -0.27 0.00 -1.54 -1.33 0.00 0.00 177.39 174.37 3kpp n SER 131 N -1.81 0.00 -4.04 -1.43 3.41 -1.26 -4.42 113.62 104.07 3kpp n SER 131 Ca -0.20 -0.83 -0.10 0.00 -0.26 0.00 0.00 58.87 57.48 3kpp n SER 131 Cb 0.64 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.52 3kpp n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kpp s SER 132 N 0.00 0.08 0.08 4.04 1.04 -1.26 -4.96 113.70 112.73 3kpp s SER 132 Ca 0.00 -1.03 0.10 0.00 0.48 0.00 0.00 55.95 55.50 3kpp s SER 132 Cb 0.00 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 3kpp s SER 132 CO 0.00 -0.90 -0.26 0.26 0.98 0.00 0.00 173.24 173.32 3kpp s TRP 133 N -4.02 2.27 -0.28 5.02 0.52 -1.26 -0.19 118.94 120.98 3kpp s TRP 133 Ca 0.23 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 55.89 3kpp s TRP 133 Cb 0.04 -1.29 0.00 0.00 -1.15 0.00 0.00 33.47 31.07 3kpp s TRP 133 CO 0.04 0.22 0.07 0.99 0.02 0.00 0.00 176.95 178.29 3kpp s THR 134 N -0.93 3.92 -0.12 2.01 2.01 -0.00 -4.88 115.64 117.65 3kpp s THR 134 Ca 0.12 -0.64 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 3kpp s THR 134 Cb -0.10 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 3kpp s THR 134 CO 0.04 0.13 0.28 0.00 -0.69 0.00 0.00 174.62 174.38 3kpp s ALA 135 N 1.50 3.68 -0.45 7.40 0.00 -1.26 -1.18 121.76 131.45 3kpp s ALA 135 Ca 0.03 -0.45 0.23 0.00 0.00 0.00 0.00 51.96 51.77 3kpp s ALA 135 Cb -0.17 -2.29 0.35 0.00 0.00 0.00 0.00 23.12 21.02 3kpp s ALA 135 CO 0.02 0.30 1.60 0.00 0.00 0.00 0.00 175.76 177.69 3kpp h ALA 136 N 5.83 0.99 -2.71 0.00 0.00 -1.23 -3.47 119.26 118.67 3kpp h ALA 136 Ca -0.47 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.48 3kpp h ALA 136 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kpp h ALA 136 CO 0.68 0.00 0.35 -0.40 0.00 0.00 0.00 179.25 179.89 3kpp n ASP 137 N -3.04 -1.86 0.24 0.00 5.68 -1.26 -5.03 116.55 111.28 3kpp n ASP 137 Ca 0.04 -2.18 0.12 0.00 -0.50 0.00 0.00 54.79 52.27 3kpp n ASP 137 Cb 0.53 3.07 0.56 0.00 -1.14 0.00 0.00 41.12 44.13 3kpp n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3kpp h THR 138 N 1.88 0.42 -0.01 2.12 1.35 -1.99 -1.62 112.91 115.07 3kpp h THR 138 Ca -0.28 -0.88 -0.01 0.00 -0.55 0.00 0.00 66.41 64.70 3kpp h THR 138 Cb 1.09 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 69.14 3kpp h THR 138 CO 0.36 0.15 -0.01 0.00 -0.25 0.00 0.00 175.52 175.77 3kpp h ALA 139 N 1.85 0.01 0.00 6.62 0.00 -1.97 -3.13 119.26 122.65 3kpp h ALA 139 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3kpp h ALA 139 Cb 0.62 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kpp h ALA 139 CO 0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 179.25 178.95 3kpp h ALA 140 N 0.47 1.70 0.00 0.00 0.00 -1.79 -1.03 119.26 118.61 3kpp h ALA 140 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kpp h ALA 140 Cb 0.55 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kpp h ALA 140 CO 0.00 0.14 -0.05 1.96 0.00 0.00 0.00 179.25 181.30 3kpp h GLN 141 N 0.00 0.00 -0.18 0.00 4.20 -1.26 0.20 115.11 118.06 3kpp h GLN 141 Ca -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3kpp h GLN 141 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3kpp h GLN 141 CO 0.01 0.05 -0.38 0.82 -0.67 0.00 0.00 178.83 178.66 3kpp h ILE 142 N 0.00 1.34 -0.57 2.54 1.08 -1.13 -2.10 117.51 118.66 3kpp h ILE 142 Ca -0.00 -1.62 -0.00 0.00 -0.39 0.00 0.00 64.86 62.84 3kpp h ILE 142 Cb 0.10 1.90 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 3kpp h ILE 142 CO 0.01 0.50 0.34 0.74 -0.69 0.00 0.00 178.15 179.05 3kpp h THR 143 N 0.25 1.17 -0.47 -0.27 2.02 -1.32 -2.47 112.91 111.83 3kpp h THR 143 Ca 0.00 -0.39 0.07 0.00 0.77 0.00 0.00 66.41 66.87 3kpp h THR 143 Cb 0.99 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 3kpp h THR 143 CO 0.09 0.18 0.13 -0.61 0.37 0.00 0.00 175.52 175.67 3kpp h GLN 144 N 0.77 0.27 -0.35 6.66 4.15 -0.55 0.16 115.11 126.23 3kpp h GLN 144 Ca 0.21 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.62 3kpp h GLN 144 Cb -0.01 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 3kpp h GLN 144 CO -0.04 0.18 0.22 0.00 -1.93 0.00 0.00 178.83 177.26 3kpp h ARG 145 N 0.28 0.43 -0.66 1.69 3.08 -1.27 0.25 114.38 118.18 3kpp h ARG 145 Ca 0.23 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.28 3kpp h ARG 145 Cb 0.27 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 3kpp h ARG 145 CO -0.26 0.29 0.42 0.87 -1.07 0.00 0.00 179.97 180.21 3kpp h LYS 146 N 0.44 0.80 -0.21 0.04 1.57 -0.92 -1.18 116.57 117.11 3kpp h LYS 146 Ca 0.13 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.68 3kpp h LYS 146 Cb -0.02 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.11 3kpp h LYS 146 CO -0.05 0.53 -0.62 -1.49 -0.57 0.00 0.00 179.45 177.25 3kpp h TRP 147 N 0.82 0.93 -0.03 -1.35 4.06 -0.31 -0.14 115.95 119.92 3kpp h TRP 147 Ca 0.26 -0.36 0.02 0.00 2.06 0.00 0.00 58.89 60.87 3kpp h TRP 147 Cb 0.00 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 27.98 3kpp h TRP 147 CO -0.04 1.15 -0.07 0.93 -3.56 0.00 0.00 178.44 176.85 3kpp h GLU 148 N 0.54 -0.10 -0.62 0.49 5.08 -0.43 -0.26 114.58 119.27 3kpp h GLU 148 Ca -0.01 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3kpp h GLU 148 Cb 1.21 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 3kpp h GLU 148 CO 0.13 -0.07 0.41 0.00 -1.00 0.00 0.00 179.01 178.48 3kpp h ALA 149 N 0.92 1.58 -0.08 3.43 0.00 -1.01 -2.62 119.26 121.48 3kpp h ALA 149 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kpp h ALA 149 Cb 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kpp h ALA 149 CO -0.10 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3kpp n ALA 150 N -2.44 2.56 -3.89 0.00 0.00 -0.08 -4.95 120.51 111.71 3kpp n ALA 150 Ca 0.07 -0.44 -0.26 0.00 0.00 0.00 0.00 53.44 52.80 3kpp n ALA 150 Cb 0.06 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.36 3kpp n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kpp n ARG 151 N 0.11 -4.36 -0.25 0.00 1.74 -0.22 -4.90 116.66 108.77 3kpp n ARG 151 Ca 0.18 0.52 -0.07 0.00 -0.77 0.00 0.00 57.85 57.71 3kpp n ARG 151 Cb 0.31 -5.04 0.04 0.00 -1.02 0.00 0.00 32.46 26.75 3kpp n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kpp h VAL 152 N -1.87 1.25 -1.00 1.55 2.07 -1.54 -2.89 116.25 113.83 3kpp h VAL 152 Ca -0.61 -0.82 0.08 0.00 0.82 0.00 0.00 66.70 66.17 3kpp h VAL 152 Cb 1.37 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 3kpp h VAL 152 CO 0.63 0.32 0.64 0.00 0.02 0.00 0.00 177.57 179.19 3kpp h ALA 153 N 1.11 1.44 -0.84 1.67 0.00 -1.90 0.25 119.26 120.99 3kpp h ALA 153 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3kpp h ALA 153 Cb 0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3kpp h ALA 153 CO -0.01 0.40 0.45 0.93 0.00 0.00 0.00 179.25 181.02 3kpp h GLU 154 N 1.13 1.17 -0.27 0.00 3.07 -1.75 0.19 114.58 118.12 3kpp h GLU 154 Ca 0.44 -0.14 -0.19 0.00 -0.50 0.00 0.00 59.36 58.97 3kpp h GLU 154 Cb 0.23 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3kpp h GLU 154 CO -0.19 0.86 -0.58 1.96 -1.40 0.00 0.00 179.01 179.66 3kpp h GLN 155 N 1.17 0.88 0.11 2.33 4.20 -1.20 -0.92 115.11 121.67 3kpp h GLN 155 Ca 0.29 -0.58 0.00 0.00 0.06 0.00 0.00 58.65 58.43 3kpp h GLN 155 Cb 0.04 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3kpp h GLN 155 CO -0.05 1.21 -0.09 -0.44 -0.67 0.00 0.00 178.83 178.79 3kpp h ASP 156 N 0.66 -0.25 -0.81 1.46 5.19 -0.71 -2.32 116.42 119.65 3kpp h ASP 156 Ca 0.00 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.49 3kpp h ASP 156 Cb 1.20 0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.74 3kpp h ASP 156 CO 0.13 -0.15 0.50 -0.09 -3.12 0.00 0.00 179.24 176.51 3kpp h ARG 157 N -0.22 0.91 -0.67 3.56 2.43 -0.56 0.18 114.38 120.01 3kpp h ARG 157 Ca 0.00 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3kpp h ARG 157 Cb 0.20 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3kpp h ARG 157 CO -0.02 0.60 0.44 0.00 -1.51 0.00 0.00 179.97 179.49 3kpp h ALA 158 N 1.37 0.85 0.00 2.80 0.00 -1.06 -1.01 119.26 122.21 3kpp h ALA 158 Ca 0.34 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kpp h ALA 158 Cb 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kpp h ALA 158 CO -0.15 0.27 -0.00 -0.92 0.00 0.00 0.00 179.25 178.45 3kpp h TYR 159 N 0.90 -0.00 -0.62 0.00 3.20 -0.84 -1.84 116.97 117.77 3kpp h TYR 159 Ca 0.25 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 3kpp h TYR 159 Cb -0.10 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3kpp h TYR 159 CO -0.03 0.25 0.29 -0.07 -1.64 0.00 0.00 178.16 176.96 3kpp h LEU 160 N -0.25 0.80 0.00 2.82 3.38 -0.41 -0.16 115.31 121.49 3kpp h LEU 160 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kpp h LEU 160 Cb 0.25 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kpp h LEU 160 CO 0.00 0.68 -0.84 -0.33 0.09 0.00 0.00 178.44 178.05 3kpp h GLU 161 N 0.88 0.00 0.00 1.13 5.08 -1.25 -3.34 114.58 117.08 3kpp h GLU 161 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3kpp h GLU 161 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kpp h GLU 161 CO -0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.39 3kpp n GLY 162 N 1.19 0.19 0.37 -3.84 0.00 -0.69 -4.74 105.19 97.67 3kpp n GLY 162 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3kpp n GLY 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kpp h LEU 163 N 0.00 0.78 0.45 0.99 5.85 -1.64 -1.09 115.31 120.65 3kpp h LEU 163 Ca 0.00 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3kpp h LEU 163 Cb 0.00 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3kpp h LEU 163 CO 0.00 0.42 -0.26 0.00 -0.34 0.00 0.00 178.44 178.27 3kpp h VAL 165 N -0.66 1.28 -0.23 0.00 -1.51 -1.63 -1.94 116.25 111.56 3kpp h VAL 165 Ca -0.05 -1.40 -0.04 0.00 -1.23 0.00 0.00 66.70 63.98 3kpp h VAL 165 Cb 0.53 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 3kpp h VAL 165 CO 0.07 0.45 0.01 -0.33 -1.23 0.00 0.00 177.57 176.54 3kpp h GLU 166 N 0.51 0.41 -0.32 5.19 5.08 -1.01 -0.78 114.58 123.66 3kpp h GLU 166 Ca 0.06 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.12 3kpp h GLU 166 Cb 0.78 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 3kpp h GLU 166 CO 0.06 0.58 -0.49 0.66 -1.00 0.00 0.00 179.01 178.82 3kpp h SER 167 N 0.18 0.99 -0.77 1.42 4.64 -0.79 -2.48 113.55 116.74 3kpp h SER 167 Ca 0.07 -0.51 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3kpp h SER 167 Cb 0.39 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 3kpp h SER 167 CO 0.01 1.31 0.44 0.25 -0.87 0.00 0.00 176.83 177.97 3kpp h LEU 168 N 0.71 0.95 -0.46 5.97 5.85 -1.31 0.66 115.31 127.67 3kpp h LEU 168 Ca 0.03 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3kpp h LEU 168 Cb 1.10 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 3kpp h LEU 168 CO 0.11 0.76 0.23 0.03 -0.34 0.00 0.00 178.44 179.23 3kpp h ARG 169 N 1.06 0.44 -0.28 1.25 3.08 -1.04 -0.54 114.38 118.34 3kpp h ARG 169 Ca 0.27 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3kpp h ARG 169 Cb 0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3kpp h ARG 169 CO -0.05 0.29 0.18 -0.09 -1.07 0.00 0.00 179.97 179.23 3kpp h ARG 170 N 0.45 0.37 -0.57 0.04 2.43 -1.02 -2.12 114.38 113.96 3kpp h ARG 170 Ca 0.20 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 3kpp h ARG 170 Cb 0.11 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3kpp h ARG 170 CO -0.14 0.26 0.32 1.88 -1.51 0.00 0.00 179.97 180.77 3kpp h TYR 171 N 0.37 0.59 -0.86 2.20 0.05 -0.64 0.94 116.97 119.61 3kpp h TYR 171 Ca 0.10 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.93 3kpp h TYR 171 Cb -0.03 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 37.48 3kpp h TYR 171 CO -0.05 0.30 0.56 -0.07 -1.05 0.00 0.00 178.16 177.85 3kpp h LEU 172 N 0.61 0.93 0.06 3.88 3.38 -1.02 0.39 115.31 123.54 3kpp h LEU 172 Ca 0.24 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3kpp h LEU 172 Cb 0.11 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3kpp h LEU 172 CO -0.14 0.65 -0.03 -0.08 0.09 0.00 0.00 178.44 178.93 3kpp h GLU 173 N 1.09 -0.07 -0.50 1.13 4.57 -0.97 -2.06 114.58 117.77 3kpp h GLU 173 Ca 0.34 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.52 3kpp h GLU 173 Cb -0.02 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3kpp h GLU 173 CO -0.11 0.35 0.30 -0.91 -1.18 0.00 0.00 179.01 177.46 3kpp h ASN 174 N -0.52 0.59 -0.68 1.04 2.35 -0.60 -2.91 115.58 114.84 3kpp h ASN 174 Ca -0.01 -0.03 -0.30 0.00 -0.55 0.00 0.00 56.30 55.41 3kpp h ASN 174 Cb 0.46 -0.15 -0.18 0.00 0.05 0.00 0.00 38.32 38.50 3kpp h ASN 174 CO 0.01 0.46 0.29 0.61 -1.65 0.00 0.00 177.43 177.16 3kpp n GLY 175 N -1.37 4.39 0.28 2.83 0.00 0.14 -4.73 105.19 106.72 3kpp n GLY 175 Ca 0.04 -1.11 0.11 0.00 0.00 0.00 0.00 46.02 45.07 3kpp n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kpp h LYS 176 N 1.46 0.00 0.00 1.61 2.10 -1.16 0.25 116.57 120.83 3kpp h LYS 176 Ca 0.37 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.01 3kpp h LYS 176 Cb 2.27 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.60 3kpp h LYS 176 CO 0.74 0.00 -0.08 0.93 -2.00 0.00 0.00 179.45 179.03 3kpp h GLU 177 N 0.00 0.00 0.00 0.07 5.08 -1.87 -3.09 114.58 114.76 3kpp h GLU 177 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kpp h GLU 177 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kpp h GLU 177 CO -0.00 0.08 -0.90 0.25 -1.00 0.00 0.00 179.01 177.44 3kpp n THR 178 N -3.68 0.00 0.22 1.13 -2.24 -0.63 -4.49 114.28 104.59 3kpp n THR 178 Ca -0.02 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.82 3kpp n THR 178 Cb 0.19 -1.19 0.49 0.00 -2.10 0.00 0.00 70.33 67.72 3kpp n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kpp h LEU 179 N 0.00 0.00 -3.59 3.22 3.38 -0.72 -2.64 115.31 114.97 3kpp h LEU 179 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3kpp h LEU 179 Cb 0.90 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 3kpp h LEU 179 CO 0.00 0.25 0.17 0.00 0.09 0.00 0.00 178.44 178.95 3kpp n GLN 180 N -4.02 3.27 -4.23 1.13 6.02 -1.17 -4.89 117.38 113.50 3kpp n GLN 180 Ca -0.02 -3.06 -0.32 0.00 -0.01 0.00 0.00 57.00 53.60 3kpp n GLN 180 Cb 0.32 -2.08 -0.16 0.00 1.02 0.00 0.00 30.24 29.34 3kpp n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3kpp s ARG 181 N -3.01 2.71 -0.05 -1.09 3.52 -1.00 -4.97 118.95 115.06 3kpp s ARG 181 Ca 0.51 -0.72 -0.18 0.00 -0.13 0.00 0.00 55.73 55.21 3kpp s ARG 181 Cb 0.42 -2.33 -0.05 0.00 -1.56 0.00 0.00 34.95 31.43 3kpp s ARG 181 CO 0.10 -0.16 0.50 0.00 -0.81 0.00 0.00 175.30 174.93 3kpp s ALA 182 N 1.23 3.53 -0.27 6.12 0.00 -1.26 -4.77 121.76 126.34 3kpp s ALA 182 Ca 0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 3kpp s ALA 182 Cb -0.14 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 3kpp s ALA 182 CO -0.09 0.17 0.09 -0.51 0.00 0.00 0.00 175.76 175.41 3kpp s ASP 183 N -0.03 5.22 0.64 0.00 1.01 0.11 -4.84 116.67 118.78 3kpp s ASP 183 Ca 0.27 -0.31 -0.16 0.00 0.71 0.00 0.00 52.55 53.06 3kpp s ASP 183 Cb -0.16 -1.94 -0.01 0.00 1.01 0.00 0.00 42.92 41.82 3kpp s ASP 183 CO 0.13 -0.08 1.12 -2.16 0.21 0.00 0.00 175.17 174.39 3kpp s PRO 184 N 1.61 2.87 0.43 8.23 0.04 -1.26 -1.49 135.00 145.42 3kpp s PRO 184 Ca 0.06 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.32 3kpp s PRO 184 Cb -0.16 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 3kpp s PRO 184 CO 0.04 -1.21 1.22 -1.25 0.04 0.00 0.00 177.00 175.84 3kpp s PRO 185 N -3.91 3.88 -0.11 0.56 0.04 -1.26 -4.35 135.00 129.84 3kpp s PRO 185 Ca 0.69 1.93 -0.21 0.00 0.04 0.00 0.00 61.00 63.45 3kpp s PRO 185 Cb -0.22 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 3kpp s PRO 185 CO 0.39 -0.50 0.60 0.15 0.04 0.00 0.00 177.00 177.68 3kpp s LYS 186 N -2.44 4.36 0.07 4.56 1.02 0.70 -4.85 119.74 123.16 3kpp s LYS 186 Ca 0.60 0.67 0.07 0.00 0.02 0.00 0.00 55.97 57.33 3kpp s LYS 186 Cb -0.33 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 3kpp s LYS 186 CO 0.41 0.04 -0.19 0.95 -0.92 0.00 0.00 175.35 175.64 3kpp s THR 187 N 0.95 1.56 0.18 2.17 -4.23 -1.26 -1.09 115.64 113.92 3kpp s THR 187 Ca 0.31 -1.36 -0.23 0.00 -1.18 0.00 0.00 61.69 59.24 3kpp s THR 187 Cb -0.16 -1.41 0.06 0.00 1.34 0.00 0.00 72.50 72.33 3kpp s THR 187 CO 0.14 0.00 0.65 -1.38 -0.54 0.00 0.00 174.62 173.48 3kpp s HIS 188 N -1.04 -0.44 -0.16 3.99 -3.43 -1.07 -4.99 115.29 108.15 3kpp s HIS 188 Ca 0.05 0.17 -0.01 0.00 -0.80 0.00 0.00 55.06 54.48 3kpp s HIS 188 Cb -0.09 0.60 -0.00 0.00 -1.43 0.00 0.00 32.58 31.65 3kpp s HIS 188 CO 0.03 -0.93 -0.13 0.08 -2.00 0.00 0.00 174.74 171.79 3kpp s VAL 189 N -3.76 2.82 0.26 -5.38 1.01 -1.26 -0.13 120.40 113.97 3kpp s VAL 189 Ca 0.04 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3kpp s VAL 189 Cb -0.02 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3kpp s VAL 189 CO -0.08 0.50 0.39 0.42 0.00 0.00 0.00 175.10 176.33 3kpp s THR 190 N 0.88 4.97 -0.07 3.92 -4.23 0.10 -4.66 115.64 116.57 3kpp s THR 190 Ca -0.03 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 3kpp s THR 190 Cb -0.15 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 69.96 3kpp s THR 190 CO -0.01 -0.29 -0.04 -2.28 -0.54 0.00 0.00 174.62 171.46 3kpp s HIS 191 N -2.03 0.88 -0.20 3.99 2.46 -1.26 -1.32 115.29 117.81 3kpp s HIS 191 Ca 0.37 -0.30 -0.03 0.00 0.47 0.00 0.00 55.06 55.57 3kpp s HIS 191 Cb -0.09 -0.83 0.06 0.00 -0.13 0.00 0.00 32.58 31.59 3kpp s HIS 191 CO 0.30 -0.30 0.03 -1.01 -2.47 0.00 0.00 174.74 171.29 3kpp s HIS 192 N 1.40 1.08 0.09 3.88 3.76 0.52 -4.97 115.29 121.06 3kpp s HIS 192 Ca -0.03 -0.90 -0.34 0.00 -0.15 0.00 0.00 55.06 53.64 3kpp s HIS 192 Cb -0.13 -1.05 -0.14 0.00 1.11 0.00 0.00 32.58 32.37 3kpp s HIS 192 CO -0.03 -0.62 1.63 -2.30 -0.85 0.00 0.00 174.74 172.57 3kpp n PRO 193 N 5.03 2.06 -0.07 8.40 -0.02 -1.26 0.69 135.00 149.83 3kpp n PRO 193 Ca -0.09 0.75 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 3kpp n PRO 193 Cb 0.47 -2.52 -0.09 0.00 -0.02 0.00 0.00 33.50 31.33 3kpp n PRO 193 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3kpp h ILE 194 N 4.03 1.16 -1.98 4.25 1.08 -0.64 -3.46 117.51 121.96 3kpp h ILE 194 Ca -0.46 -1.96 0.00 0.00 -0.39 0.00 0.00 64.86 62.05 3kpp h ILE 194 Cb 1.27 2.28 0.00 0.00 -3.07 0.00 0.00 36.82 37.29 3kpp h ILE 194 CO 0.89 0.39 0.00 -1.54 -0.69 0.00 0.00 178.15 177.21 3kpp n SER 195 N -4.61 0.00 0.31 1.72 3.41 -0.86 -4.98 113.62 108.60 3kpp n SER 195 Ca -0.12 -0.98 0.17 0.00 -0.26 0.00 0.00 58.87 57.69 3kpp n SER 195 Cb 0.41 0.00 0.99 0.00 -0.26 0.00 0.00 64.21 65.35 3kpp n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kpp h ASP 196 N 0.00 0.00 0.00 4.04 3.32 -2.03 -3.23 116.42 118.52 3kpp h ASP 196 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kpp h ASP 196 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kpp h ASP 196 CO 0.00 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3kpp n HIS 197 N -3.57 0.00 -4.33 4.55 1.44 -1.26 -4.81 115.22 107.24 3kpp n HIS 197 Ca -0.03 -0.14 -0.18 0.00 -2.01 0.00 0.00 57.72 55.36 3kpp n HIS 197 Cb 0.10 -0.01 -0.14 0.00 0.12 0.00 0.00 29.99 30.06 3kpp n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3kpp s GLU 198 N -0.28 0.78 0.01 -1.40 2.02 -1.22 -1.75 118.70 116.86 3kpp s GLU 198 Ca 0.00 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.50 3kpp s GLU 198 Cb 0.00 -0.74 -0.01 0.00 0.10 0.00 0.00 34.13 33.48 3kpp s GLU 198 CO 0.00 0.19 -0.07 0.08 0.02 0.00 0.00 175.26 175.48 3kpp s VAL 199 N -0.55 0.57 -0.22 2.63 1.01 -0.14 0.13 120.40 123.83 3kpp s VAL 199 Ca 0.01 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 3kpp s VAL 199 Cb -0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 3kpp s VAL 199 CO 0.00 -0.01 0.33 -0.89 0.00 0.00 0.00 175.10 174.53 3kpp s THR 200 N -0.54 5.24 -0.20 3.92 2.01 0.22 -0.17 115.64 126.12 3kpp s THR 200 Ca -0.01 0.55 -0.06 0.00 0.31 0.00 0.00 61.69 62.48 3kpp s THR 200 Cb -0.05 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 3kpp s THR 200 CO 0.00 0.27 0.04 -0.76 -0.69 0.00 0.00 174.62 173.48 3kpp s LEU 201 N 1.28 3.49 -0.12 4.42 1.43 -0.53 -0.36 118.68 128.28 3kpp s LEU 201 Ca 0.15 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 3kpp s LEU 201 Cb -0.14 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.20 3kpp s LEU 201 CO 0.07 0.08 -0.13 -0.60 0.23 0.00 0.00 176.35 176.01 3kpp s ARG 202 N 0.90 2.04 -0.26 1.70 3.52 -0.43 -1.47 118.95 124.95 3kpp s ARG 202 Ca 0.02 -0.48 -0.10 0.00 -0.13 0.00 0.00 55.73 55.05 3kpp s ARG 202 Cb -0.14 -1.85 -0.05 0.00 -1.56 0.00 0.00 34.95 31.35 3kpp s ARG 202 CO 0.02 -0.16 0.16 0.00 -0.81 0.00 0.00 175.30 174.51 3kpp s TRP 204 N 1.45 3.19 -0.10 0.00 0.52 0.81 -1.79 118.94 123.02 3kpp s TRP 204 Ca 0.07 0.21 0.01 0.00 0.02 0.00 0.00 56.10 56.41 3kpp s TRP 204 Cb -0.15 -1.79 0.02 0.00 -1.15 0.00 0.00 33.47 30.40 3kpp s TRP 204 CO 0.07 0.49 -0.11 0.00 0.02 0.00 0.00 176.95 177.43 3kpp s ALA 205 N -0.93 1.45 0.05 0.98 0.00 0.42 -2.59 121.76 121.13 3kpp s ALA 205 Ca 0.15 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.55 3kpp s ALA 205 Cb -0.11 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 3kpp s ALA 205 CO 0.04 -0.20 -0.10 -0.51 0.00 0.00 0.00 175.76 174.98 3kpp s LEU 206 N 1.26 2.25 -0.87 0.00 1.43 -0.25 -1.02 118.68 121.49 3kpp s LEU 206 Ca -0.03 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3kpp s LEU 206 Cb -0.14 -0.32 0.00 0.00 0.03 0.00 0.00 46.19 45.77 3kpp s LEU 206 CO -0.04 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.01 3kpp n GLY 207 N 1.47 0.80 3.90 -3.19 0.00 -0.89 -0.22 105.19 107.06 3kpp n GLY 207 Ca -0.22 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 3kpp n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kpp s PHE 208 N -2.34 3.47 -0.14 1.61 -0.71 -1.08 -4.69 117.98 114.09 3kpp s PHE 208 Ca 0.00 0.54 -0.07 0.00 -1.04 0.00 0.00 56.93 56.36 3kpp s PHE 208 Cb 0.00 -2.00 0.06 0.00 -1.21 0.00 0.00 43.02 39.87 3kpp s PHE 208 CO 0.00 0.40 0.34 -0.47 -1.34 0.00 0.00 175.22 174.15 3kpp s TYR 209 N -1.73 -0.50 0.56 3.49 6.14 -0.56 0.00 117.35 124.76 3kpp s TYR 209 Ca 0.41 1.10 -0.10 0.00 0.64 0.00 0.00 57.07 59.12 3kpp s TYR 209 Cb -0.12 0.17 0.13 0.00 0.42 0.00 0.00 41.96 42.56 3kpp s TYR 209 CO 0.26 -0.31 0.73 -0.35 0.64 0.00 0.00 175.55 176.52 3kpp n PRO 210 N 4.36 -0.89 0.17 4.97 -0.04 -1.26 0.04 135.00 142.35 3kpp n PRO 210 Ca -0.23 -1.13 0.05 0.00 -0.04 0.00 0.00 63.50 62.14 3kpp n PRO 210 Cb 0.54 -0.79 0.22 0.00 -0.04 0.00 0.00 33.50 33.43 3kpp n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kpp h ALA 211 N -1.94 0.85 -2.57 0.55 0.00 -1.94 -3.45 119.26 110.75 3kpp h ALA 211 Ca -0.24 -0.39 -0.53 0.00 0.00 0.00 0.00 54.91 53.76 3kpp h ALA 211 Cb 0.67 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.44 3kpp h ALA 211 CO 0.17 0.53 1.05 -1.91 0.00 0.00 0.00 179.25 179.09 3kpp n GLU 212 N -3.39 2.77 -3.52 0.00 4.07 -1.26 -4.96 120.64 114.35 3kpp n GLU 212 Ca 0.01 1.00 -0.16 0.00 -0.06 0.00 0.00 57.16 57.95 3kpp n GLU 212 Cb 0.60 -2.87 -0.05 0.00 -0.06 0.00 0.00 31.44 29.06 3kpp n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3kpp s ILE 213 N 1.81 0.00 -0.08 6.31 2.07 -1.26 -4.62 121.20 125.42 3kpp s ILE 213 Ca 0.78 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 60.05 3kpp s ILE 213 Cb -0.50 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.10 3kpp s ILE 213 CO 0.34 0.00 -0.18 -0.89 -1.91 0.00 0.00 174.94 172.31 3kpp s THR 214 N -1.46 1.57 -0.13 4.00 2.01 -0.47 -4.99 115.64 116.18 3kpp s THR 214 Ca -0.08 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.19 3kpp s THR 214 Cb -0.00 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.13 3kpp s THR 214 CO 0.06 0.45 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.52 3kpp s LEU 215 N 0.50 1.79 -0.04 4.42 1.43 -1.26 -1.00 118.68 124.52 3kpp s LEU 215 Ca -0.16 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 3kpp s LEU 215 Cb -0.17 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.88 3kpp s LEU 215 CO 0.06 0.00 0.13 0.42 0.23 0.00 0.00 176.35 177.19 3kpp s THR 216 N 1.11 0.01 -0.14 5.49 -4.23 -0.37 -4.96 115.64 112.55 3kpp s THR 216 Ca -0.03 -0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 60.31 3kpp s THR 216 Cb -0.14 -0.21 -0.05 0.00 1.34 0.00 0.00 72.50 73.44 3kpp s THR 216 CO -0.05 -0.04 0.17 0.26 -0.54 0.00 0.00 174.62 174.42 3kpp s TRP 217 N -0.08 3.53 0.02 3.99 0.52 -1.26 0.89 118.94 126.55 3kpp s TRP 217 Ca -0.02 0.50 0.07 0.00 0.02 0.00 0.00 56.10 56.67 3kpp s TRP 217 Cb -0.02 -2.07 -0.03 0.00 -1.15 0.00 0.00 33.47 30.20 3kpp s TRP 217 CO 0.00 0.54 -0.19 -0.65 0.02 0.00 0.00 176.95 176.67 3kpp s GLN 218 N -0.43 2.13 -0.23 4.98 -0.21 0.30 -0.26 119.66 125.93 3kpp s GLN 218 Ca 0.13 -0.94 -0.03 0.00 0.02 0.00 0.00 55.36 54.55 3kpp s GLN 218 Cb -0.12 -2.19 0.01 0.00 1.00 0.00 0.00 33.01 31.71 3kpp s GLN 218 CO 0.03 0.55 -0.05 0.50 -2.12 0.00 0.00 175.29 174.20 3kpp s ARG 219 N -1.23 3.10 -1.48 2.91 3.52 0.41 -1.30 118.95 124.88 3kpp s ARG 219 Ca 0.13 -0.80 -0.12 0.00 -0.13 0.00 0.00 55.73 54.81 3kpp s ARG 219 Cb -0.10 -2.99 0.06 0.00 -1.56 0.00 0.00 34.95 30.36 3kpp s ARG 219 CO 0.04 -0.30 0.96 -0.25 -0.81 0.00 0.00 175.30 174.94 3kpp n ASP 220 N 4.74 -5.20 0.00 -2.12 8.00 0.01 -1.27 116.55 120.70 3kpp n ASP 220 Ca -0.17 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.67 3kpp n ASP 220 Cb 0.49 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 3kpp n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpp n GLY 221 N -1.71 0.87 3.59 0.44 0.00 -1.26 -5.02 105.19 102.10 3kpp n GLY 221 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3kpp n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kpp s GLU 222 N -0.06 3.91 0.21 1.61 0.41 -0.40 -4.99 118.70 119.40 3kpp s GLU 222 Ca 0.00 -0.36 -0.32 0.00 -0.41 0.00 0.00 54.97 53.88 3kpp s GLU 222 Cb 0.00 -3.37 -0.13 0.00 -1.78 0.00 0.00 34.13 28.84 3kpp s GLU 222 CO 0.00 0.05 1.51 -0.25 -0.49 0.00 0.00 175.26 176.08 3kpp n ASP 223 N 4.25 3.04 -2.72 -0.19 8.00 -1.26 -0.44 116.55 127.23 3kpp n ASP 223 Ca -0.16 1.11 -0.37 0.00 0.71 0.00 0.00 54.79 56.09 3kpp n ASP 223 Cb 0.52 -1.45 0.04 0.00 -0.02 0.00 0.00 41.12 40.21 3kpp n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kpp n GLN 224 N 2.72 2.67 -0.06 -1.24 1.13 0.64 -4.80 117.38 118.44 3kpp n GLN 224 Ca 0.14 -3.28 -0.10 0.00 -1.94 0.00 0.00 57.00 51.82 3kpp n GLN 224 Cb 0.31 -2.24 -0.04 0.00 0.11 0.00 0.00 30.24 28.38 3kpp n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3kpp h THR 225 N 1.77 0.21 0.00 5.09 2.02 -1.90 -0.69 112.91 119.40 3kpp h THR 225 Ca 0.55 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.70 3kpp h THR 225 Cb 0.28 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3kpp h THR 225 CO 1.39 0.00 -0.13 -0.61 0.37 0.00 0.00 175.52 176.54 3kpp h GLN 226 N -0.36 0.00 -0.04 6.66 5.75 -2.00 -3.13 115.11 121.99 3kpp h GLN 226 Ca 0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3kpp h GLN 226 Cb 0.57 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.12 3kpp h GLN 226 CO -0.46 0.13 0.00 -0.25 -2.65 0.00 0.00 178.83 175.60 3kpp n ASP 227 N -3.47 2.44 -4.74 -0.69 8.00 -0.65 -4.96 116.55 112.48 3kpp n ASP 227 Ca -0.01 -1.71 -0.39 0.00 0.71 0.00 0.00 54.79 53.39 3kpp n ASP 227 Cb 0.29 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 3kpp n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kpp s THR 228 N -1.40 5.04 -0.35 -3.53 2.01 -0.36 -4.55 115.64 112.50 3kpp s THR 228 Ca 0.20 1.16 -0.20 0.00 0.31 0.00 0.00 61.69 63.16 3kpp s THR 228 Cb 0.14 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 3kpp s THR 228 CO 0.21 0.37 0.60 -0.70 -0.69 0.00 0.00 174.62 174.41 3kpp s GLU 229 N 0.21 3.69 -0.20 4.92 2.12 0.13 -4.90 118.70 124.67 3kpp s GLU 229 Ca 0.30 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.66 3kpp s GLU 229 Cb -0.17 -3.80 0.02 0.00 0.26 0.00 0.00 34.13 30.44 3kpp s GLU 229 CO 0.15 -0.69 -0.15 -1.17 -0.54 0.00 0.00 175.26 172.86 3kpp s LEU 230 N 2.61 2.50 0.44 2.70 2.96 -1.26 0.15 118.68 128.78 3kpp s LEU 230 Ca 0.23 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.34 3kpp s LEU 230 Cb -0.15 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 3kpp s LEU 230 CO 0.14 -0.04 0.78 0.68 -1.32 0.00 0.00 176.35 176.60 3kpp s VAL 231 N 1.31 4.82 0.26 1.68 -7.23 -0.93 -5.03 120.40 115.27 3kpp s VAL 231 Ca 0.03 0.50 -0.30 0.00 -1.81 0.00 0.00 61.98 60.40 3kpp s VAL 231 Cb -0.14 -3.78 -0.10 0.00 0.56 0.00 0.00 36.38 32.92 3kpp s VAL 231 CO -0.10 -0.65 1.45 -0.70 -0.31 0.00 0.00 175.10 174.80 3kpp s GLU 232 N -4.17 4.25 0.18 4.82 2.12 -1.26 -4.62 118.70 120.02 3kpp s GLU 232 Ca 0.50 2.33 -0.33 0.00 0.36 0.00 0.00 54.97 57.82 3kpp s GLU 232 Cb -0.10 -3.10 -0.14 0.00 0.26 0.00 0.00 34.13 31.04 3kpp s GLU 232 CO 0.36 -0.43 1.44 2.41 -0.54 0.00 0.00 175.26 178.50 3kpp n THR 233 N 2.27 0.41 -4.49 -1.70 -1.04 -1.26 -4.86 114.28 103.60 3kpp n THR 233 Ca 0.07 -0.10 -0.21 0.00 -2.04 0.00 0.00 64.05 61.76 3kpp n THR 233 Cb 0.40 -1.33 -0.14 0.00 -1.82 0.00 0.00 70.33 67.44 3kpp n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kpp s ARG 234 N 0.27 1.02 0.07 -2.82 1.70 -0.13 -4.95 118.95 114.12 3kpp s ARG 234 Ca 0.76 -0.62 -0.31 0.00 -0.47 0.00 0.00 55.73 55.09 3kpp s ARG 234 Cb -0.73 -1.01 -0.06 0.00 -0.57 0.00 0.00 34.95 32.58 3kpp s ARG 234 CO 0.45 0.26 1.21 -1.25 -1.08 0.00 0.00 175.30 174.89 3kpp s PRO 235 N -0.73 4.43 0.36 3.89 0.04 -1.26 -0.54 135.00 141.19 3kpp s PRO 235 Ca 0.03 1.79 0.19 0.00 0.04 0.00 0.00 61.00 63.06 3kpp s PRO 235 Cb -0.07 -3.33 0.29 0.00 0.04 0.00 0.00 34.50 31.43 3kpp s PRO 235 CO 0.00 -0.25 1.56 0.00 0.04 0.00 0.00 177.00 178.35 3kpp h ALA 236 N 6.68 0.82 0.00 8.56 0.00 -1.58 -3.47 119.26 130.27 3kpp h ALA 236 Ca -0.42 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3kpp h ALA 236 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kpp h ALA 236 CO 0.81 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.85 3kpp n GLY 237 N 1.02 0.39 1.00 0.00 0.00 -1.26 -4.94 105.19 101.40 3kpp n GLY 237 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3kpp n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kpp n ASP 238 N 0.00 2.24 0.00 1.61 5.68 -1.26 -4.94 116.55 119.88 3kpp n ASP 238 Ca 0.00 -3.82 0.00 0.00 -0.50 0.00 0.00 54.79 50.47 3kpp n ASP 238 Cb 0.00 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 3kpp n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3kpp n ARG 239 N -1.12 0.00 -2.33 0.11 1.85 -1.26 -5.03 116.66 108.87 3kpp n ARG 239 Ca 0.29 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.89 3kpp n ARG 239 Cb 0.94 -0.31 0.08 0.00 -1.05 0.00 0.00 32.46 32.12 3kpp n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3kpp s THR 240 N -1.31 2.29 0.30 8.89 -4.23 -1.26 -4.85 115.64 115.46 3kpp s THR 240 Ca 0.00 -0.38 0.06 0.00 -1.18 0.00 0.00 61.69 60.18 3kpp s THR 240 Cb 0.00 -2.90 -0.06 0.00 1.34 0.00 0.00 72.50 70.88 3kpp s THR 240 CO 0.00 0.00 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.70 3kpp s PHE 241 N -3.21 1.97 0.03 3.99 0.40 0.10 -1.48 117.98 119.79 3kpp s PHE 241 Ca 0.62 -0.78 0.02 0.00 -0.60 0.00 0.00 56.93 56.19 3kpp s PHE 241 Cb -0.09 -1.19 -0.02 0.00 0.51 0.00 0.00 43.02 42.23 3kpp s PHE 241 CO 0.44 0.20 -0.06 -0.65 0.70 0.00 0.00 175.22 175.85 3kpp s GLN 242 N -3.78 0.46 -0.01 0.44 -0.21 0.30 -2.11 119.66 114.76 3kpp s GLN 242 Ca 0.32 -0.70 -0.25 0.00 0.02 0.00 0.00 55.36 54.75 3kpp s GLN 242 Cb 0.06 -0.18 0.06 0.00 1.00 0.00 0.00 33.01 33.95 3kpp s GLN 242 CO 0.13 0.02 0.56 0.21 -2.12 0.00 0.00 175.29 174.09 3kpp s LYS 243 N -1.50 0.99 0.11 2.91 2.20 -0.19 -0.95 119.74 123.30 3kpp s LYS 243 Ca -0.11 -0.00 -0.00 0.00 -0.36 0.00 0.00 55.97 55.49 3kpp s LYS 243 Cb -0.10 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 3kpp s LYS 243 CO -0.00 -0.33 0.01 1.67 -0.36 0.00 0.00 175.35 176.34 3kpp s TRP 244 N -1.70 0.79 -0.01 4.03 1.48 -1.26 -0.44 118.94 121.83 3kpp s TRP 244 Ca -0.09 -1.12 0.00 0.00 -1.06 0.00 0.00 56.10 53.83 3kpp s TRP 244 Cb -0.01 -0.48 0.01 0.00 -1.16 0.00 0.00 33.47 31.83 3kpp s TRP 244 CO 0.04 -0.40 -0.01 0.00 -4.06 0.00 0.00 176.95 172.53 3kpp s ALA 245 N -3.92 0.17 0.02 2.67 0.00 -0.74 -2.19 121.76 117.78 3kpp s ALA 245 Ca 0.17 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.20 3kpp s ALA 245 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3kpp s ALA 245 CO -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 175.76 175.64 3kpp s ALA 246 N 0.37 0.64 0.07 0.00 0.00 0.12 -0.54 121.76 122.42 3kpp s ALA 246 Ca -0.03 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.44 3kpp s ALA 246 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 3kpp s ALA 246 CO -0.01 0.08 -0.17 0.14 0.00 0.00 0.00 175.76 175.80 3kpp s VAL 247 N -0.74 1.40 -0.22 0.00 -7.23 -0.54 0.21 120.40 113.27 3kpp s VAL 247 Ca -0.03 -1.32 -0.13 0.00 -1.81 0.00 0.00 61.98 58.69 3kpp s VAL 247 Cb -0.06 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 3kpp s VAL 247 CO 0.00 -0.07 0.28 -0.69 -0.31 0.00 0.00 175.10 174.32 3kpp s VAL 248 N -1.09 5.28 0.07 1.32 1.01 -1.26 -1.46 120.40 124.27 3kpp s VAL 248 Ca 0.03 0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.54 3kpp s VAL 248 Cb -0.09 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3kpp s VAL 248 CO 0.03 0.30 -0.22 0.68 0.00 0.00 0.00 175.10 175.89 3kpp s VAL 249 N 1.17 1.75 0.29 2.92 -7.23 0.76 -4.93 120.40 115.13 3kpp s VAL 249 Ca 0.13 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 3kpp s VAL 249 Cb -0.14 -1.55 -0.10 0.00 0.56 0.00 0.00 36.38 35.14 3kpp s VAL 249 CO 0.06 0.09 1.44 -2.84 -0.31 0.00 0.00 175.10 173.55 3kpp s PRO 250 N -1.55 4.24 0.28 4.82 0.02 -1.26 -0.97 135.00 140.58 3kpp s PRO 250 Ca 0.08 2.36 -0.29 0.00 0.02 0.00 0.00 61.00 63.17 3kpp s PRO 250 Cb -0.09 -3.07 -0.14 0.00 0.02 0.00 0.00 34.50 31.22 3kpp s PRO 250 CO 0.03 -0.42 1.14 0.43 -0.33 0.00 0.00 177.00 177.85 3kpp n SER 251 N 1.80 1.82 0.00 2.53 7.64 -0.71 -0.93 113.62 125.76 3kpp n SER 251 Ca 0.05 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.11 3kpp n SER 251 Cb 0.40 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 3kpp n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kpp n GLY 252 N 1.35 2.21 0.81 0.23 0.00 -1.26 -4.86 105.19 103.67 3kpp n GLY 252 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 3kpp n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kpp n GLU 253 N -2.00 2.51 -0.24 1.61 1.02 -0.10 -4.71 120.64 118.73 3kpp n GLU 253 Ca 0.00 -2.08 0.11 0.00 -0.02 0.00 0.00 57.16 55.17 3kpp n GLU 253 Cb 0.00 -1.35 0.39 0.00 -0.02 0.00 0.00 31.44 30.46 3kpp n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kpp h GLU 254 N 2.75 0.65 0.00 3.49 3.07 -1.89 -1.17 114.58 121.47 3kpp h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3kpp h GLU 254 Cb 0.78 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3kpp h GLU 254 CO 0.00 0.43 0.00 1.04 -1.40 0.00 0.00 179.01 179.08 3kpp n GLN 255 N -4.53 0.13 -0.00 2.33 1.13 -1.26 -2.10 117.38 113.07 3kpp n GLN 255 Ca 0.16 0.09 0.14 0.00 -1.94 0.00 0.00 57.00 55.45 3kpp n GLN 255 Cb 0.44 -1.50 0.75 0.00 0.11 0.00 0.00 30.24 30.03 3kpp n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kpp n ARG 256 N -1.42 1.24 -4.69 -1.09 1.74 -0.44 -4.81 116.66 107.19 3kpp n ARG 256 Ca 0.08 -0.35 -0.33 0.00 -0.77 0.00 0.00 57.85 56.47 3kpp n ARG 256 Cb 0.24 -1.47 -0.13 0.00 -1.02 0.00 0.00 32.46 30.08 3kpp n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kpp s TYR 257 N -1.99 2.86 -0.03 -1.55 1.51 -0.89 -0.81 117.35 116.45 3kpp s TYR 257 Ca 0.42 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 56.18 3kpp s TYR 257 Cb 0.20 -1.79 -0.00 0.00 -0.11 0.00 0.00 41.96 40.26 3kpp s TYR 257 CO 0.34 0.02 -0.12 0.95 -1.11 0.00 0.00 175.55 175.63 3kpp s THR 258 N -0.12 0.98 -0.09 -0.71 -4.23 -0.42 -4.60 115.64 106.45 3kpp s THR 258 Ca -0.00 -0.49 -0.16 0.00 -1.18 0.00 0.00 61.69 59.86 3kpp s THR 258 Cb -0.13 -0.85 -0.05 0.00 1.34 0.00 0.00 72.50 72.81 3kpp s THR 258 CO 0.03 0.29 0.41 0.00 -0.54 0.00 0.00 174.62 174.82 3kpp s HIS 260 N 0.04 2.64 -0.14 0.00 3.76 0.26 -0.15 115.29 121.70 3kpp s HIS 260 Ca 0.23 -0.96 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 3kpp s HIS 260 Cb -0.15 -1.76 0.02 0.00 1.11 0.00 0.00 32.58 31.80 3kpp s HIS 260 CO 0.10 -0.38 -0.13 0.08 -0.85 0.00 0.00 174.74 173.55 3kpp s VAL 261 N 0.39 1.48 -0.10 -0.90 1.01 -0.04 -1.23 120.40 121.00 3kpp s VAL 261 Ca -0.16 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.27 3kpp s VAL 261 Cb -0.17 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 3kpp s VAL 261 CO 0.07 0.44 -0.21 -1.10 0.00 0.00 0.00 175.10 174.30 3kpp s GLN 262 N 1.46 3.09 -0.22 2.72 -0.21 -0.17 -0.80 119.66 125.52 3kpp s GLN 262 Ca 0.04 -0.83 -0.21 0.00 0.02 0.00 0.00 55.36 54.38 3kpp s GLN 262 Cb -0.13 -2.38 0.06 0.00 1.00 0.00 0.00 33.01 31.56 3kpp s GLN 262 CO -0.09 0.21 0.60 -1.58 -2.12 0.00 0.00 175.29 172.31 3kpp s HIS 263 N 0.29 -0.66 0.54 0.91 2.46 -1.26 -1.37 115.29 116.20 3kpp s HIS 263 Ca -0.15 1.60 0.26 0.00 0.47 0.00 0.00 55.06 57.24 3kpp s HIS 263 Cb -0.17 0.23 1.43 0.00 -0.13 0.00 0.00 32.58 33.93 3kpp s HIS 263 CO 0.08 -0.32 1.98 1.49 -2.47 0.00 0.00 174.74 175.50 3kpp h GLU 264 N 5.18 0.00 0.00 2.88 4.81 -1.94 0.17 114.58 125.67 3kpp h GLU 264 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3kpp h GLU 264 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3kpp h GLU 264 CO 0.13 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.82 3kpp n GLY 265 N -1.63 -1.16 3.69 1.92 0.00 -1.26 -4.73 105.19 102.01 3kpp n GLY 265 Ca 0.10 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3kpp n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kpp s LEU 266 N -2.69 4.16 0.50 0.99 1.43 0.59 -4.43 118.68 119.23 3kpp s LEU 266 Ca 0.20 0.22 0.16 0.00 -1.03 0.00 0.00 54.13 53.68 3kpp s LEU 266 Cb 0.16 -2.15 1.21 0.00 0.03 0.00 0.00 46.19 45.44 3kpp s LEU 266 CO 0.39 0.10 2.10 1.55 0.23 0.00 0.00 176.35 180.72 3kpp h PRO 267 N 7.14 0.11 -3.30 1.29 0.13 -1.85 -3.44 132.00 132.09 3kpp h PRO 267 Ca -0.39 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.62 3kpp h PRO 267 Cb 1.16 -0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.08 3kpp h PRO 267 CO 0.71 0.07 -0.32 -1.59 -0.23 0.00 0.00 178.00 176.64 3kpp s LYS 268 N -5.15 0.69 0.61 0.86 -2.85 -1.26 -5.15 119.74 107.50 3kpp s LYS 268 Ca -0.06 -0.42 -0.19 0.00 -1.00 0.00 0.00 55.97 54.30 3kpp s LYS 268 Cb 0.18 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 3kpp s LYS 268 CO 0.69 -0.20 1.31 -2.14 0.10 0.00 0.00 175.35 175.12 3kpp s PRO 269 N -2.00 2.76 -0.09 1.78 0.02 -1.26 -4.95 135.00 131.27 3kpp s PRO 269 Ca -0.09 2.12 -0.05 0.00 0.02 0.00 0.00 61.00 63.00 3kpp s PRO 269 Cb -0.03 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 3kpp s PRO 269 CO -0.00 -1.45 0.12 -0.51 -0.33 0.00 0.00 177.00 174.83 3kpp s LEU 270 N -4.08 4.24 -0.19 -5.54 1.43 0.02 -4.93 118.68 109.64 3kpp s LEU 270 Ca 0.79 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 54.24 3kpp s LEU 270 Cb -0.38 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 3kpp s LEU 270 CO 0.42 0.37 -0.07 -0.89 0.23 0.00 0.00 176.35 176.41 3kpp s THR 271 N -1.07 3.28 0.11 5.49 2.01 -1.26 -0.86 115.64 123.33 3kpp s THR 271 Ca 0.18 -0.55 0.10 0.00 0.31 0.00 0.00 61.69 61.73 3kpp s THR 271 Cb -0.12 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 3kpp s THR 271 CO 0.07 0.47 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.45 3kpp s LEU 272 N 1.02 2.31 0.25 4.42 1.02 0.79 -4.96 118.68 123.54 3kpp s LEU 272 Ca -0.00 -0.69 0.07 0.00 0.02 0.00 0.00 54.13 53.53 3kpp s LEU 272 Cb -0.15 -1.26 -0.05 0.00 0.02 0.00 0.00 46.19 44.75 3kpp s LEU 272 CO -0.01 0.20 -0.09 -0.13 0.02 0.00 0.00 176.35 176.35 3kpp s ARG 273 N -1.85 1.47 0.12 1.70 0.52 -1.26 0.24 118.95 119.89 3kpp s ARG 273 Ca 0.14 -1.72 -0.31 0.00 -0.52 0.00 0.00 55.73 53.32 3kpp s ARG 273 Cb -0.10 -1.14 -0.10 0.00 0.52 0.00 0.00 34.95 34.13 3kpp s ARG 273 CO 0.05 0.09 1.86 1.87 0.02 0.00 0.00 175.30 179.19 3kpp n TRP 274 N -0.51 2.64 -3.58 -0.53 -0.00 -1.26 -4.69 117.44 109.50 3kpp n TRP 274 Ca -0.06 -0.19 -0.39 0.00 -0.00 0.00 0.00 57.50 56.86 3kpp n TRP 274 Cb 0.62 -2.75 -0.06 0.00 -0.00 0.00 0.00 31.31 29.12 3kpp n TRP 274 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 3kpp s GLU 275 N 2.90 3.12 0.00 5.87 0.41 -1.26 -4.97 118.70 124.77 3kpp s GLU 275 Ca 0.82 -2.77 0.11 0.00 -0.41 0.00 0.00 54.97 52.72 3kpp s GLU 275 Cb -0.47 -4.02 0.65 0.00 -1.78 0.00 0.00 34.13 28.52 3kpp s GLU 275 CO 0.37 -1.23 1.09 -0.35 -0.49 0.00 0.00 175.26 174.65