#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n LYS 2 N 0.00 -0.14 0.00 0.03 5.02 -1.26 -4.63 118.16 117.18 3kiy n LYS 2 Ca 0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3kiy n LYS 2 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3kiy n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kiy n GLY 3 N 2.39 1.84 3.31 0.72 0.00 -1.26 -3.11 105.19 109.08 3kiy n GLY 3 Ca 0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 3kiy n GLY 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kiy s ILE 4 N -1.19 0.08 0.54 -0.61 2.07 -0.75 -4.99 121.20 116.35 3kiy s ILE 4 Ca 0.00 -1.21 -0.01 0.00 -1.41 0.00 0.00 60.65 58.02 3kiy s ILE 4 Cb 0.00 -1.62 0.02 0.00 0.13 0.00 0.00 42.46 40.99 3kiy s ILE 4 CO 0.00 -0.39 0.78 -0.76 -1.91 0.00 0.00 174.94 172.66 3kiy s LEU 5 N -2.92 3.35 0.00 8.50 1.43 -1.26 -1.23 118.68 126.56 3kiy s LEU 5 Ca 0.12 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3kiy s LEU 5 Cb 0.03 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.17 3kiy s LEU 5 CO -0.04 -1.02 0.00 0.61 0.23 0.00 0.00 176.35 176.13 3kiy n GLY 6 N -2.34 2.18 3.65 -3.19 0.00 0.63 -4.33 105.19 101.78 3kiy n GLY 6 Ca 0.05 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 3kiy n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy s VAL 7 N -1.48 0.00 -0.08 1.61 0.11 -0.85 -3.02 120.40 116.68 3kiy s VAL 7 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 3kiy s VAL 7 Cb 0.00 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 3kiy s VAL 7 CO 0.00 0.00 1.76 -0.75 -3.33 0.00 0.00 175.10 172.78 3kiy s LYS 8 N 0.86 4.01 0.00 1.54 2.20 -0.30 -1.11 119.74 126.93 3kiy s LYS 8 Ca -0.04 2.15 0.21 0.00 -0.36 0.00 0.00 55.97 57.93 3kiy s LYS 8 Cb -0.04 -4.07 -0.23 0.00 -1.51 0.00 0.00 37.83 31.99 3kiy s LYS 8 CO -0.12 -1.07 0.57 1.33 -0.36 0.00 0.00 175.35 175.71 3kiy n VAL 9 N 5.87 0.50 0.00 4.02 0.24 -0.23 0.62 118.33 129.36 3kiy n VAL 9 Ca 0.19 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 3kiy n VAL 9 Cb 0.43 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 3kiy n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kiy n GLY 10 N 1.34 3.32 3.16 7.63 0.00 -1.19 -4.78 105.19 114.67 3kiy n GLY 10 Ca -0.09 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.00 3kiy n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kiy s MET 11 N -2.27 0.81 0.26 1.61 0.23 -1.26 -0.42 119.30 118.25 3kiy s MET 11 Ca 0.00 -1.13 -0.17 0.00 -1.03 0.00 0.00 55.69 53.36 3kiy s MET 11 Cb 0.00 -0.48 0.01 0.00 -1.53 0.00 0.00 34.83 32.83 3kiy s MET 11 CO 0.00 0.07 0.60 0.95 -2.03 0.00 0.00 175.02 174.61 3kiy s THR 12 N -2.43 0.00 0.15 3.16 -4.23 -0.09 -4.97 115.64 107.23 3kiy s THR 12 Ca 0.04 -1.13 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 3kiy s THR 12 Cb -0.03 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 3kiy s THR 12 CO -0.00 -0.01 0.23 0.00 -0.54 0.00 0.00 174.62 174.29 3kiy s ARG 13 N -3.95 3.26 0.37 3.99 1.70 -1.26 -0.13 118.95 122.92 3kiy s ARG 13 Ca 0.15 -0.68 0.05 0.00 -0.47 0.00 0.00 55.73 54.78 3kiy s ARG 13 Cb -0.03 -2.86 -0.03 0.00 -0.57 0.00 0.00 34.95 31.46 3kiy s ARG 13 CO 0.07 0.51 0.17 0.96 -1.08 0.00 0.00 175.30 175.93 3kiy s ILE 14 N -1.73 0.39 0.06 4.99 -4.36 0.08 -4.89 121.20 115.74 3kiy s ILE 14 Ca 0.33 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.79 3kiy s ILE 14 Cb -0.11 -2.42 -0.03 0.00 1.25 0.00 0.00 42.46 41.15 3kiy s ILE 14 CO 0.27 0.00 -0.16 -0.36 0.24 0.00 0.00 174.94 174.93 3kiy s PHE 15 N -3.35 2.61 -0.13 1.37 0.08 -1.26 0.13 117.98 117.42 3kiy s PHE 15 Ca 0.30 -0.23 -0.09 0.00 0.12 0.00 0.00 56.93 57.04 3kiy s PHE 15 Cb 0.03 -1.45 0.04 0.00 -0.57 0.00 0.00 43.02 41.07 3kiy s PHE 15 CO 0.18 0.31 0.33 0.50 -0.10 0.00 0.00 175.22 176.44 3kiy s ARG 16 N -1.67 0.33 2.08 0.44 3.52 -0.92 -4.93 118.95 117.81 3kiy s ARG 16 Ca 0.16 0.58 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 3kiy s ARG 16 Cb -0.11 0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.31 3kiy s ARG 16 CO 0.07 -0.12 0.00 -3.47 -0.81 0.00 0.00 175.30 170.98 3kiy n ASP 17 N 3.73 0.00 -2.80 -2.12 4.64 -1.26 -2.50 116.55 116.24 3kiy n ASP 17 Ca -0.20 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.11 3kiy n ASP 17 Cb 0.55 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.67 3kiy n ASP 17 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 3kiy n ASP 18 N 3.28 -2.51 0.00 1.67 -0.08 -1.26 -5.12 116.55 112.53 3kiy n ASP 18 Ca 0.00 -3.25 0.00 0.00 -1.51 0.00 0.00 54.79 50.03 3kiy n ASP 18 Cb 0.00 1.54 0.00 0.00 2.34 0.00 0.00 41.12 45.00 3kiy n ASP 18 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3kiy n ARG 19 N 1.58 0.00 -2.18 -0.67 1.85 -1.04 -5.13 116.66 111.06 3kiy n ARG 19 Ca 0.10 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.55 3kiy n ARG 19 Cb 0.62 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.01 3kiy n ARG 19 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kiy s ALA 20 N -0.83 3.49 -0.13 2.89 0.00 -1.26 -2.15 121.76 123.77 3kiy s ALA 20 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.15 3kiy s ALA 20 Cb 0.00 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.69 3kiy s ALA 20 CO 0.00 -0.56 -0.11 0.14 0.00 0.00 0.00 175.76 175.24 3kiy s VAL 21 N -1.05 1.28 -0.04 0.00 -7.23 0.34 -4.94 120.40 108.76 3kiy s VAL 21 Ca 0.49 -0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 59.91 3kiy s VAL 21 Cb -0.38 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 3kiy s VAL 21 CO 0.50 0.41 1.32 -2.16 -0.31 0.00 0.00 175.10 174.86 3kiy s PRO 22 N 1.57 4.30 -0.01 4.82 0.04 -1.26 -0.74 135.00 143.72 3kiy s PRO 22 Ca 0.04 1.83 0.05 0.00 0.04 0.00 0.00 61.00 62.97 3kiy s PRO 22 Cb -0.13 -3.59 -0.01 0.00 0.04 0.00 0.00 34.50 30.80 3kiy s PRO 22 CO -0.09 -0.54 -0.17 0.14 0.04 0.00 0.00 177.00 176.38 3kiy s VAL 23 N 2.47 1.34 -0.16 -0.36 -7.23 0.81 -2.56 120.40 114.71 3kiy s VAL 23 Ca 0.60 -0.75 -0.05 0.00 -1.81 0.00 0.00 61.98 59.97 3kiy s VAL 23 Cb -0.28 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 3kiy s VAL 23 CO 0.24 0.36 0.02 0.28 -0.31 0.00 0.00 175.10 175.69 3kiy s THR 24 N -0.42 4.44 -0.08 5.32 -1.32 0.42 -0.92 115.64 123.09 3kiy s THR 24 Ca 0.06 -0.16 -0.20 0.00 -1.21 0.00 0.00 61.69 60.18 3kiy s THR 24 Cb -0.07 -2.97 -0.04 0.00 -1.51 0.00 0.00 72.50 67.91 3kiy s THR 24 CO -0.01 0.49 0.58 -0.69 -2.21 0.00 0.00 174.62 172.78 3kiy s VAL 25 N 0.19 5.10 0.03 5.08 1.01 0.44 -1.60 120.40 130.65 3kiy s VAL 25 Ca 0.02 1.17 0.08 0.00 0.00 0.00 0.00 61.98 63.25 3kiy s VAL 25 Cb -0.13 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 3kiy s VAL 25 CO 0.01 0.31 -0.22 -0.63 0.00 0.00 0.00 175.10 174.58 3kiy s ILE 26 N 0.55 1.78 -0.29 2.22 1.01 -0.44 -1.06 121.20 124.96 3kiy s ILE 26 Ca 0.31 -1.19 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 3kiy s ILE 26 Cb -0.17 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 3kiy s ILE 26 CO 0.14 0.29 0.31 -0.22 0.00 0.00 0.00 174.94 175.47 3kiy s LEU 27 N -1.07 4.12 -0.89 2.97 2.96 -0.27 -1.64 118.68 124.86 3kiy s LEU 27 Ca 0.09 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 3kiy s LEU 27 Cb -0.09 -2.31 0.32 0.00 0.50 0.00 0.00 46.19 44.61 3kiy s LEU 27 CO 0.01 -0.18 1.53 0.00 -1.32 0.00 0.00 176.35 176.40 3kiy n ALA 28 N 5.26 5.59 -1.24 5.97 0.00 0.03 -2.01 120.51 134.11 3kiy n ALA 28 Ca -0.10 -4.65 -0.36 0.00 0.00 0.00 0.00 53.44 48.32 3kiy n ALA 28 Cb 0.51 -1.73 0.06 0.00 0.00 0.00 0.00 19.45 18.29 3kiy n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kiy n GLY 29 N -0.05 -1.90 3.69 0.00 0.00 -1.26 -4.47 105.19 101.21 3kiy n GLY 29 Ca 0.41 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 3kiy n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kiy n PRO 30 N -0.32 2.47 -3.77 1.61 -0.02 -1.26 -4.81 135.00 128.89 3kiy n PRO 30 Ca 0.09 0.89 -0.36 0.00 -2.02 0.00 0.00 63.50 62.10 3kiy n PRO 30 Cb 0.50 -2.71 -0.12 0.00 -0.02 0.00 0.00 33.50 31.16 3kiy n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kiy s PRO 32 N 1.15 3.10 -0.90 0.00 0.02 -1.23 -1.60 135.00 135.55 3kiy s PRO 32 Ca 0.08 1.94 -0.27 0.00 0.02 0.00 0.00 61.00 62.77 3kiy s PRO 32 Cb -0.23 -4.37 -0.26 0.00 0.02 0.00 0.00 34.50 29.67 3kiy s PRO 32 CO -0.04 -2.14 2.01 1.55 -0.33 0.00 0.00 177.00 178.06 3kiy n VAL 33 N 7.75 0.00 0.22 3.83 3.14 -1.26 -2.38 118.33 129.62 3kiy n VAL 33 Ca 0.29 -0.01 0.02 0.00 -2.96 0.00 0.00 64.34 61.69 3kiy n VAL 33 Cb 0.46 -1.97 0.12 0.00 -1.06 0.00 0.00 33.84 31.39 3kiy n VAL 33 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 3kiy n VAL 34 N 8.71 1.16 0.00 1.55 3.14 -0.52 -4.77 118.33 127.61 3kiy n VAL 34 Ca 0.41 0.29 0.00 0.00 -2.96 0.00 0.00 64.34 62.08 3kiy n VAL 34 Cb 0.46 -1.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 3kiy n VAL 34 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 3kiy n GLN 35 N -1.35 0.00 -4.69 1.45 7.27 -1.11 -4.75 117.38 114.20 3kiy n GLN 35 Ca 0.02 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.76 3kiy n GLN 35 Cb 0.05 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.58 3kiy n GLN 35 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3kiy s ARG 36 N -0.87 2.66 -0.40 3.69 0.52 -1.26 -0.89 118.95 122.39 3kiy s ARG 36 Ca 0.00 -0.61 -0.09 0.00 -0.52 0.00 0.00 55.73 54.52 3kiy s ARG 36 Cb 0.00 -2.52 0.07 0.00 0.52 0.00 0.00 34.95 33.02 3kiy s ARG 36 CO 0.00 0.65 0.23 1.03 0.02 0.00 0.00 175.30 177.23 3kiy s ARG 37 N -0.84 2.60 0.81 3.54 1.81 0.87 -4.98 118.95 122.76 3kiy s ARG 37 Ca 0.12 -1.40 -0.12 0.00 -1.72 0.00 0.00 55.73 52.61 3kiy s ARG 37 Cb -0.11 -3.72 0.09 0.00 -0.45 0.00 0.00 34.95 30.76 3kiy s ARG 37 CO 0.02 -0.90 1.18 0.95 -0.68 0.00 0.00 175.30 175.87 3kiy s THR 38 N 1.42 2.01 -2.59 0.02 -4.23 -1.26 -1.58 115.64 109.42 3kiy s THR 38 Ca 0.02 -0.01 0.26 0.00 -1.18 0.00 0.00 61.69 60.79 3kiy s THR 38 Cb -0.22 -3.00 0.46 0.00 1.34 0.00 0.00 72.50 71.07 3kiy s THR 38 CO 0.02 0.00 1.60 -0.81 -0.54 0.00 0.00 174.62 174.90 3kiy n PRO 39 N -3.33 1.85 -0.05 3.99 -0.04 -1.26 -1.09 135.00 135.07 3kiy n PRO 39 Ca 0.08 -1.24 -0.18 0.00 -0.04 0.00 0.00 63.50 62.12 3kiy n PRO 39 Cb 0.61 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.47 3kiy n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kiy n GLU 40 N 0.50 0.70 -0.00 0.54 1.02 -1.26 -3.44 120.64 118.70 3kiy n GLU 40 Ca 0.18 0.21 0.03 0.00 -0.02 0.00 0.00 57.16 57.55 3kiy n GLU 40 Cb 0.42 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.16 3kiy n GLU 40 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3kiy n LYS 41 N -3.31 3.10 -0.00 3.49 2.85 -1.26 -4.71 118.16 118.33 3kiy n LYS 41 Ca -0.35 -0.02 -0.00 0.00 -1.05 0.00 0.00 58.31 56.88 3kiy n LYS 41 Cb 1.04 -0.92 -0.01 0.00 -0.65 0.00 0.00 35.03 34.49 3kiy n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3kiy n ASP 42 N -1.37 4.76 0.00 -5.58 8.00 -0.95 -4.98 116.55 116.43 3kiy n ASP 42 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3kiy n ASP 42 Cb 0.11 0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 3kiy n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kiy n GLY 43 N 2.78 0.61 0.00 0.44 0.00 -0.25 -4.92 105.19 103.85 3kiy n GLY 43 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3kiy n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3kiy n TYR 44 N -2.74 0.00 -1.87 1.61 4.11 -1.16 -4.83 117.16 112.28 3kiy n TYR 44 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.89 3kiy n TYR 44 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.33 3kiy n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 3kiy n THR 45 N 0.00 -8.46 -3.64 -3.48 -1.04 -0.62 -4.56 114.28 92.47 3kiy n THR 45 Ca 0.00 1.71 -0.03 0.00 -2.04 0.00 0.00 64.05 63.69 3kiy n THR 45 Cb 0.00 -4.90 -0.05 0.00 -1.82 0.00 0.00 70.33 63.57 3kiy n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kiy s ALA 46 N -0.35 -2.12 0.02 2.41 0.00 -0.62 0.15 121.76 121.26 3kiy s ALA 46 Ca -0.05 1.85 0.02 0.00 0.00 0.00 0.00 51.96 53.78 3kiy s ALA 46 Cb 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 3kiy s ALA 46 CO 0.15 -0.23 0.02 0.54 0.00 0.00 0.00 175.76 176.24 3kiy s VAL 47 N -0.89 4.26 -0.13 0.00 0.11 -1.19 -0.09 120.40 122.47 3kiy s VAL 47 Ca 0.08 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 3kiy s VAL 47 Cb -0.01 -2.94 -0.01 0.00 -1.53 0.00 0.00 36.38 31.89 3kiy s VAL 47 CO -0.08 0.31 -0.15 -1.58 -3.33 0.00 0.00 175.10 170.28 3kiy s GLN 48 N -1.76 3.32 -0.03 1.54 0.74 -0.07 0.95 119.66 124.34 3kiy s GLN 48 Ca 0.22 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.90 3kiy s GLN 48 Cb -0.12 -2.60 0.03 0.00 1.10 0.00 0.00 33.01 31.43 3kiy s GLN 48 CO 0.13 0.18 0.06 -0.48 -0.55 0.00 0.00 175.29 174.63 3kiy s LEU 49 N 0.43 0.84 0.80 3.68 2.34 -0.93 -1.44 118.68 124.41 3kiy s LEU 49 Ca -0.11 0.10 -0.11 0.00 0.06 0.00 0.00 54.13 54.07 3kiy s LEU 49 Cb -0.16 0.01 0.07 0.00 -0.56 0.00 0.00 46.19 45.55 3kiy s LEU 49 CO 0.05 -0.15 1.09 -0.83 -1.06 0.00 0.00 176.35 175.45 3kiy s GLY 50 N 1.28 1.66 0.00 -3.48 0.00 -1.00 -3.00 107.32 102.78 3kiy s GLY 50 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.79 3kiy s GLY 50 CO -0.04 0.52 0.00 0.33 0.00 0.00 0.00 173.10 173.91 3kiy n PHE 51 N -3.58 0.00 -1.45 1.90 -0.00 -0.42 -3.48 117.46 110.43 3kiy n PHE 51 Ca 0.08 0.00 -0.52 0.00 -0.00 0.00 0.00 57.45 57.01 3kiy n PHE 51 Cb 0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 39.48 39.94 3kiy n PHE 51 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3kiy n LEU 52 N 0.00 2.05 0.00 -2.13 7.94 -1.26 -4.70 117.00 118.90 3kiy n LEU 52 Ca 0.00 0.50 0.00 0.00 -1.11 0.00 0.00 56.01 55.40 3kiy n LEU 52 Cb 0.00 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 42.73 3kiy n LEU 52 CO 0.00 -0.70 0.00 -2.65 -1.11 0.00 0.00 177.39 172.93 3kiy n PRO 53 N 7.91 0.00 0.00 1.96 -0.02 -1.26 0.81 135.00 144.40 3kiy n PRO 53 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3kiy n PRO 53 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.68 3kiy n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kiy n GLN 54 N 0.00 2.11 0.00 -0.52 10.64 -1.26 -3.47 117.38 124.88 3kiy n GLN 54 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3kiy n GLN 54 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3kiy n GLN 54 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3kiy n ASN 55 N 0.00 0.00 -4.17 2.61 5.03 -1.26 -3.83 115.26 113.64 3kiy n ASN 55 Ca 0.00 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.26 3kiy n ASN 55 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 3kiy n ASN 55 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3kiy n PRO 56 N 0.00 0.05 -1.68 3.52 -0.02 -1.26 -3.90 135.00 131.71 3kiy n PRO 56 Ca 0.00 -1.14 0.00 0.00 -2.02 0.00 0.00 63.50 60.34 3kiy n PRO 56 Cb 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 30.57 3kiy n PRO 56 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kiy n LYS 57 N 7.21 -1.98 -0.24 -0.52 3.00 -1.26 -4.69 118.16 119.69 3kiy n LYS 57 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 3kiy n LYS 57 Cb 0.44 -3.67 0.00 0.00 0.00 0.00 0.00 35.03 31.81 3kiy n LYS 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3kiy n ARG 58 N -1.63 0.78 -0.04 1.64 1.74 -1.25 -4.22 116.66 113.68 3kiy n ARG 58 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 3kiy n ARG 58 Cb 0.26 -1.11 -0.00 0.00 -1.02 0.00 0.00 32.46 30.59 3kiy n ARG 58 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3kiy h VAL 59 N 0.83 0.00 0.00 1.55 3.04 -1.88 -3.49 116.25 116.29 3kiy h VAL 59 Ca 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 3kiy h VAL 59 Cb 0.78 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 3kiy h VAL 59 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.57 176.10 3kiy n ASN 60 N -3.85 0.00 0.00 3.17 0.23 -1.26 -4.01 115.26 109.53 3kiy n ASN 60 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 3kiy n ASN 60 Cb 0.04 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 3kiy n ASN 60 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 3kiy n ARG 61 N 0.00 2.03 -0.19 -3.83 0.63 -1.26 -4.72 116.66 109.33 3kiy n ARG 61 Ca 0.00 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.94 3kiy n ARG 61 Cb 0.00 -0.30 0.08 0.00 0.45 0.00 0.00 32.46 32.69 3kiy n ARG 61 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3kiy n PRO 62 N -0.22 1.80 0.16 -0.14 -0.04 -1.26 -3.57 135.00 131.73 3kiy n PRO 62 Ca 0.00 -0.65 0.08 0.00 -0.04 0.00 0.00 63.50 62.88 3kiy n PRO 62 Cb 0.00 -1.65 0.42 0.00 -0.04 0.00 0.00 33.50 32.23 3kiy n PRO 62 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3kiy n LEU 63 N 0.13 0.40 -1.59 1.53 0.00 -1.26 -4.63 117.00 111.58 3kiy n LEU 63 Ca 0.06 0.62 -0.05 0.00 0.00 0.00 0.00 56.01 56.64 3kiy n LEU 63 Cb 0.46 -0.61 -0.05 0.00 0.00 0.00 0.00 43.42 43.21 3kiy n LEU 63 CO 0.07 -0.76 0.63 1.17 0.00 0.00 0.00 177.39 178.50 3kiy n LYS 64 N -2.10 0.00 -0.34 1.96 0.00 -1.23 -4.52 118.16 111.93 3kiy n LYS 64 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.36 3kiy n LYS 64 Cb 0.22 -0.37 0.21 0.00 0.00 0.00 0.00 35.03 35.09 3kiy n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kiy n GLY 65 N 1.89 1.57 0.37 3.14 0.00 -1.26 -4.37 105.19 106.53 3kiy n GLY 65 Ca 0.16 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.73 3kiy n GLY 65 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kiy h HIS 66 N 2.54 0.00 -3.59 1.61 6.17 -1.96 -3.35 115.15 116.57 3kiy h HIS 66 Ca 0.00 0.00 -0.59 0.00 0.71 0.00 0.00 60.37 60.49 3kiy h HIS 66 Cb 0.89 0.00 -0.33 0.00 2.52 0.00 0.00 27.41 30.49 3kiy h HIS 66 CO 0.43 0.00 -0.84 -0.06 0.71 0.00 0.00 177.93 178.17 3kiy s PHE 67 N -4.09 1.92 0.00 5.26 0.08 -1.26 -5.10 117.98 114.78 3kiy s PHE 67 Ca -0.01 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.36 3kiy s PHE 67 Cb 0.03 -1.31 0.00 0.00 -0.57 0.00 0.00 43.02 41.17 3kiy s PHE 67 CO 0.11 -0.28 0.00 0.00 -0.10 0.00 0.00 175.22 174.95 3kiy n ALA 68 N 3.46 0.00 0.00 5.36 0.00 -1.26 -1.04 120.51 127.04 3kiy n ALA 68 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3kiy n ALA 68 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3kiy n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kiy n LYS 69 N 0.00 0.00 0.00 0.00 5.02 -1.26 -4.25 118.16 117.67 3kiy n LYS 69 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kiy n LYS 69 Cb 0.00 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3kiy n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kiy n ALA 70 N 0.78 1.43 -0.74 7.82 0.00 -0.20 -4.76 120.51 124.84 3kiy n ALA 70 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3kiy n ALA 70 Cb 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 3kiy n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kiy n GLY 71 N -0.38 -0.18 3.16 0.00 0.00 -1.26 -3.07 105.19 103.46 3kiy n GLY 71 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kiy n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kiy n VAL 72 N 2.88 -2.21 -1.57 1.61 0.31 -1.26 -4.70 118.33 113.38 3kiy n VAL 72 Ca 0.24 0.49 -0.55 0.00 -0.01 0.00 0.00 64.34 64.50 3kiy n VAL 72 Cb 0.15 -3.07 -0.07 0.00 -0.91 0.00 0.00 33.84 29.95 3kiy n VAL 72 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kiy n GLU 73 N 1.43 0.69 -1.51 5.55 4.71 -1.18 -4.52 120.64 125.82 3kiy n GLU 73 Ca -0.00 0.25 -0.49 0.00 -0.01 0.00 0.00 57.16 56.91 3kiy n GLU 73 Cb 0.43 -1.84 -0.04 0.00 -1.01 0.00 0.00 31.44 28.98 3kiy n GLU 73 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 3kiy n PRO 74 N 2.38 0.63 0.00 3.49 -0.02 -1.23 -4.79 135.00 135.47 3kiy n PRO 74 Ca 0.20 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3kiy n PRO 74 Cb 0.14 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 3kiy n PRO 74 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kiy n VAL 75 N 0.76 0.00 -0.57 -1.45 0.31 0.24 -0.42 118.33 117.20 3kiy n VAL 75 Ca 0.16 1.38 -0.06 0.00 -0.01 0.00 0.00 64.34 65.80 3kiy n VAL 75 Cb 0.24 -2.05 -0.09 0.00 -0.91 0.00 0.00 33.84 31.02 3kiy n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kiy n ARG 76 N -2.20 1.15 0.00 5.55 3.00 -1.26 -4.88 116.66 118.02 3kiy n ARG 76 Ca 0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 57.85 57.31 3kiy n ARG 76 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 32.46 30.74 3kiy n ARG 76 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3kiy n ILE 77 N 2.54 0.00 -4.38 0.55 2.08 0.45 -4.50 119.36 116.10 3kiy n ILE 77 Ca 0.23 0.00 -0.26 0.00 0.56 0.00 0.00 62.75 63.28 3kiy n ILE 77 Cb 0.53 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 39.30 3kiy n ILE 77 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 3kiy s LEU 78 N 0.00 2.39 0.03 1.39 0.05 -1.26 -1.30 118.68 119.99 3kiy s LEU 78 Ca 0.00 -0.82 -0.01 0.00 0.05 0.00 0.00 54.13 53.36 3kiy s LEU 78 Cb 0.00 -1.06 -0.03 0.00 -2.05 0.00 0.00 46.19 43.06 3kiy s LEU 78 CO 0.00 0.09 -0.02 -0.13 -0.55 0.00 0.00 176.35 175.73 3kiy s ARG 79 N -2.47 0.45 0.22 1.48 3.00 -1.16 -4.90 118.95 115.57 3kiy s ARG 79 Ca 0.16 -0.86 -0.18 0.00 0.00 0.00 0.00 55.73 54.85 3kiy s ARG 79 Cb -0.08 0.16 -0.08 0.00 0.00 0.00 0.00 34.95 34.95 3kiy s ARG 79 CO 0.08 -0.08 0.69 -1.21 0.00 0.00 0.00 175.30 174.77 3kiy s GLU 80 N -2.51 4.16 -0.00 3.54 2.02 -1.26 -2.18 118.70 122.46 3kiy s GLU 80 Ca -0.06 0.75 0.16 0.00 0.02 0.00 0.00 54.97 55.85 3kiy s GLU 80 Cb -0.02 -2.83 -0.19 0.00 0.10 0.00 0.00 34.13 31.18 3kiy s GLU 80 CO -0.05 0.38 0.65 -0.89 0.02 0.00 0.00 175.26 175.38 3kiy n ILE 81 N 0.60 0.00 -1.71 -1.63 2.08 0.27 -4.94 119.36 114.03 3kiy n ILE 81 Ca -0.02 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.14 3kiy n ILE 81 Cb 0.51 0.87 0.00 0.00 -0.75 0.00 0.00 39.64 40.28 3kiy n ILE 81 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3kiy n ARG 82 N -1.49 -4.84 -4.40 0.38 3.00 -1.26 -4.60 116.66 103.46 3kiy n ARG 82 Ca 0.02 3.53 -0.38 0.00 -0.00 0.00 0.00 57.85 61.02 3kiy n ARG 82 Cb 0.28 -3.92 -0.07 0.00 0.00 0.00 0.00 32.46 28.75 3kiy n ARG 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3kiy n ASP 83 N -0.06 -1.46 -3.68 6.15 10.43 0.12 -4.01 116.55 124.04 3kiy n ASP 83 Ca 0.00 -1.19 -0.24 0.00 2.57 0.00 0.00 54.79 55.93 3kiy n ASP 83 Cb 0.00 -1.93 -0.17 0.00 1.84 0.00 0.00 41.12 40.85 3kiy n ASP 83 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3kiy s PHE 84 N -3.54 0.35 -0.53 1.24 5.99 -1.26 0.68 117.98 120.90 3kiy s PHE 84 Ca 0.59 -0.16 0.02 0.00 0.00 0.00 0.00 56.93 57.38 3kiy s PHE 84 Cb -0.34 -0.68 0.14 0.00 0.00 0.00 0.00 43.02 42.13 3kiy s PHE 84 CO 0.99 -0.38 0.29 1.21 -0.00 0.00 0.00 175.22 177.34 3kiy s ASN 85 N 2.08 4.67 1.12 6.13 3.84 -1.26 -3.15 114.94 128.37 3kiy s ASN 85 Ca 0.03 -2.84 -0.12 0.00 0.21 0.00 0.00 52.86 50.14 3kiy s ASN 85 Cb -0.14 -1.71 0.26 0.00 -0.55 0.00 0.00 41.25 39.11 3kiy s ASN 85 CO -0.06 -0.30 1.05 -0.81 -2.79 0.00 0.00 177.10 174.19 3kiy n PRO 86 N 3.40 -2.03 0.34 0.43 -0.04 -1.26 -4.83 135.00 131.00 3kiy n PRO 86 Ca 0.05 -0.55 0.18 0.00 -0.04 0.00 0.00 63.50 63.14 3kiy n PRO 86 Cb 0.35 -2.22 0.94 0.00 -0.04 0.00 0.00 33.50 32.53 3kiy n PRO 86 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3kiy h GLU 87 N -2.52 0.00 0.00 0.54 -0.00 -1.99 -3.45 114.58 107.16 3kiy h GLU 87 Ca -0.58 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.78 3kiy h GLU 87 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.07 3kiy h GLU 87 CO 0.47 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.89 3kiy n GLY 88 N -1.18 1.02 2.98 1.06 0.00 -1.26 -5.11 105.19 102.70 3kiy n GLY 88 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 3kiy n GLY 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kiy s ASP 89 N -0.30 -0.21 -0.02 1.61 2.15 -1.26 -4.93 116.67 113.70 3kiy s ASP 89 Ca 0.00 0.35 -0.01 0.00 0.43 0.00 0.00 52.55 53.32 3kiy s ASP 89 Cb 0.00 1.41 0.01 0.00 -0.30 0.00 0.00 42.92 44.03 3kiy s ASP 89 CO 0.00 -0.29 0.03 0.41 -0.17 0.00 0.00 175.17 175.15 3kiy n THR 90 N 5.38 -2.78 -2.33 1.71 -1.04 -1.26 -4.85 114.28 109.11 3kiy n THR 90 Ca -0.02 0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 62.07 3kiy n THR 90 Cb 0.50 -2.89 -0.03 0.00 -1.82 0.00 0.00 70.33 66.09 3kiy n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kiy s VAL 91 N -0.11 3.33 0.00 12.58 1.01 -0.62 -4.75 120.40 131.84 3kiy s VAL 91 Ca -0.03 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3kiy s VAL 91 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3kiy s VAL 91 CO 0.09 0.24 0.00 0.35 0.00 0.00 0.00 175.10 175.78 3kiy n THR 92 N 1.82 0.00 -0.04 3.92 -2.24 -1.26 -1.16 114.28 115.33 3kiy n THR 92 Ca 0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.81 3kiy n THR 92 Cb 0.44 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.55 3kiy n THR 92 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3kiy n VAL 93 N 0.00 0.46 -0.23 2.28 0.31 -1.26 -4.41 118.33 115.48 3kiy n VAL 93 Ca 0.00 -0.48 0.29 0.00 -0.01 0.00 0.00 64.34 64.13 3kiy n VAL 93 Cb 0.00 -0.21 0.44 0.00 -0.91 0.00 0.00 33.84 33.17 3kiy n VAL 93 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kiy n GLU 94 N -2.28 0.01 -0.30 5.55 4.71 -1.26 0.15 120.64 127.22 3kiy n GLU 94 Ca -0.13 1.02 0.12 0.00 -0.01 0.00 0.00 57.16 58.17 3kiy n GLU 94 Cb 0.67 -2.53 0.29 0.00 -1.01 0.00 0.00 31.44 28.87 3kiy n GLU 94 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 3kiy h ILE 95 N 0.00 0.49 -3.21 -3.67 1.08 -2.00 -3.39 117.51 106.80 3kiy h ILE 95 Ca 0.51 -0.14 -0.65 0.00 -0.39 0.00 0.00 64.86 64.19 3kiy h ILE 95 Cb 2.96 0.06 -0.15 0.00 -3.07 0.00 0.00 36.82 36.61 3kiy h ILE 95 CO -0.01 0.07 -0.59 -0.36 -0.69 0.00 0.00 178.15 176.58 3kiy s PHE 96 N -5.90 3.24 -0.01 1.37 0.08 0.12 -5.09 117.98 111.79 3kiy s PHE 96 Ca -0.12 0.14 0.05 0.00 0.12 0.00 0.00 56.93 57.12 3kiy s PHE 96 Cb 0.25 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 3kiy s PHE 96 CO 0.78 0.33 -0.14 0.15 -0.10 0.00 0.00 175.22 176.24 3kiy s LYS 97 N -0.31 2.36 0.22 0.44 1.02 -1.26 -4.90 119.74 117.31 3kiy s LYS 97 Ca 0.08 -0.80 -0.28 0.00 0.02 0.00 0.00 55.97 54.99 3kiy s LYS 97 Cb -0.12 -2.33 -0.16 0.00 -0.52 0.00 0.00 37.83 34.69 3kiy s LYS 97 CO 0.02 0.59 0.62 -2.30 -0.92 0.00 0.00 175.35 173.36 3kiy n PRO 98 N 1.92 0.27 0.00 -1.68 -0.02 -1.26 -1.75 135.00 132.48 3kiy n PRO 98 Ca -0.16 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3kiy n PRO 98 Cb 0.52 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 3kiy n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kiy n GLY 99 N 1.84 1.77 3.83 -1.23 0.00 -0.24 -5.00 105.19 106.16 3kiy n GLY 99 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3kiy n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kiy s GLU 100 N -0.84 3.48 -0.06 1.61 2.02 -0.72 -4.72 118.70 119.48 3kiy s GLU 100 Ca 0.00 0.99 0.03 0.00 0.02 0.00 0.00 54.97 56.01 3kiy s GLU 100 Cb 0.00 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 3kiy s GLU 100 CO 0.00 -0.66 -0.13 1.03 0.02 0.00 0.00 175.26 175.52 3kiy s ARG 101 N -4.48 2.58 0.13 1.61 1.81 -1.26 -0.03 118.95 119.31 3kiy s ARG 101 Ca 0.59 -0.67 -0.03 0.00 -1.72 0.00 0.00 55.73 53.90 3kiy s ARG 101 Cb -0.13 -2.42 -0.03 0.00 -0.45 0.00 0.00 34.95 31.92 3kiy s ARG 101 CO 0.42 0.62 0.12 0.14 -0.68 0.00 0.00 175.30 175.91 3kiy s VAL 102 N -0.70 0.10 -0.01 3.52 -7.23 0.58 -1.97 120.40 114.68 3kiy s VAL 102 Ca 0.11 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 3kiy s VAL 102 Cb -0.11 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 3kiy s VAL 102 CO 0.01 -0.46 0.01 -1.81 -0.31 0.00 0.00 175.10 172.53 3kiy s ASP 103 N -3.01 5.19 -0.07 4.85 1.01 -0.10 0.30 116.67 124.84 3kiy s ASP 103 Ca 0.20 0.03 0.03 0.00 0.71 0.00 0.00 52.55 53.52 3kiy s ASP 103 Cb 0.06 -1.39 0.01 0.00 1.01 0.00 0.00 42.92 42.62 3kiy s ASP 103 CO 0.00 0.29 -0.15 -0.69 0.21 0.00 0.00 175.17 174.83 3kiy s VAL 104 N -1.07 1.36 -0.10 -1.27 1.01 -0.44 -1.96 120.40 117.92 3kiy s VAL 104 Ca 0.19 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 3kiy s VAL 104 Cb -0.12 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3kiy s VAL 104 CO 0.09 0.40 0.01 -0.89 0.00 0.00 0.00 175.10 174.71 3kiy s THR 105 N 0.54 4.35 0.25 3.92 2.01 -0.74 -1.31 115.64 124.64 3kiy s THR 105 Ca -0.15 -0.23 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 3kiy s THR 105 Cb -0.16 -2.85 0.01 0.00 0.01 0.00 0.00 72.50 69.51 3kiy s THR 105 CO 0.05 0.58 0.55 -0.83 -0.69 0.00 0.00 174.62 174.28 3kiy s GLY 106 N -0.65 0.26 -0.52 4.40 0.00 -0.57 -1.57 107.32 108.67 3kiy s GLY 106 Ca 0.11 -0.62 -0.10 0.00 0.00 0.00 0.00 44.72 44.11 3kiy s GLY 106 CO 0.02 -0.42 0.41 -0.51 0.00 0.00 0.00 173.10 172.60 3kiy s THR 107 N -3.97 4.46 0.54 0.90 -4.23 -1.26 -0.12 115.64 111.97 3kiy s THR 107 Ca 0.17 -1.86 -0.18 0.00 -1.18 0.00 0.00 61.69 58.65 3kiy s THR 107 Cb -0.02 -3.91 -0.15 0.00 1.34 0.00 0.00 72.50 69.76 3kiy s THR 107 CO 0.06 -0.82 -0.17 -1.54 -0.54 0.00 0.00 174.62 171.61 3kiy n SER 108 N 4.82 -3.83 -4.71 3.99 3.41 0.32 -3.91 113.62 113.70 3kiy n SER 108 Ca -0.06 0.62 -0.40 0.00 -0.26 0.00 0.00 58.87 58.77 3kiy n SER 108 Cb 0.41 -0.84 0.02 0.00 -0.26 0.00 0.00 64.21 63.54 3kiy n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kiy n LYS 109 N 1.57 1.87 -2.50 4.33 5.02 -1.26 -0.16 118.16 127.03 3kiy n LYS 109 Ca 0.07 0.67 -0.42 0.00 -2.02 0.00 0.00 58.31 56.62 3kiy n LYS 109 Cb 0.48 -2.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.01 3kiy n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kiy s GLY 110 N -0.64 0.97 0.00 0.72 0.00 -1.26 -1.17 107.32 105.93 3kiy s GLY 110 Ca 0.64 -0.91 0.25 0.00 0.00 0.00 0.00 44.72 44.71 3kiy s GLY 110 CO 0.55 2.66 1.81 0.54 0.00 0.00 0.00 173.10 178.66 3kiy n ARG 111 N 8.76 0.00 0.00 2.90 1.74 0.92 -4.88 116.66 126.11 3kiy n ARG 111 Ca 0.09 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3kiy n ARG 111 Cb 0.49 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3kiy n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kiy n GLY 112 N 1.10 -0.27 3.56 -0.13 0.00 -1.14 -4.17 105.19 104.13 3kiy n GLY 112 Ca 0.06 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 3kiy n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kiy s PHE 113 N 0.00 2.16 -0.12 1.61 5.99 -1.26 -0.88 117.98 125.48 3kiy s PHE 113 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 56.93 56.77 3kiy s PHE 113 Cb 0.00 -4.40 -0.04 0.00 0.00 0.00 0.00 43.02 38.58 3kiy s PHE 113 CO 0.00 -1.92 0.17 0.00 -0.00 0.00 0.00 175.22 173.47 3kiy s ALA 114 N 7.28 3.83 0.67 11.12 0.00 0.93 -4.88 121.76 140.70 3kiy s ALA 114 Ca 0.55 -0.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 3kiy s ALA 114 Cb -0.04 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 3kiy s ALA 114 CO -0.01 0.53 1.05 0.20 0.00 0.00 0.00 175.76 177.53 3kiy s GLY 115 N -0.80 1.66 0.52 0.00 0.00 -1.26 -1.67 107.32 105.77 3kiy s GLY 115 Ca 0.15 -0.06 -0.21 0.00 0.00 0.00 0.00 44.72 44.60 3kiy s GLY 115 CO 0.04 0.24 0.96 1.55 0.00 0.00 0.00 173.10 175.90 3kiy n VAL 116 N -2.97 3.03 -1.31 1.40 3.14 -1.26 -2.18 118.33 118.19 3kiy n VAL 116 Ca 0.07 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 3kiy n VAL 116 Cb 0.54 -1.14 0.00 0.00 -1.06 0.00 0.00 33.84 32.18 3kiy n VAL 116 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 3kiy n MET 117 N -0.43 0.00 0.00 1.45 0.00 -1.26 -4.64 117.12 112.23 3kiy n MET 117 Ca 0.11 0.44 0.00 0.00 -0.00 0.00 0.00 57.70 58.25 3kiy n MET 117 Cb 0.44 -1.10 0.00 0.00 0.00 0.00 0.00 33.22 32.55 3kiy n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3kiy n LYS 118 N -0.23 0.00 -0.07 2.12 4.81 -1.25 -4.65 118.16 118.89 3kiy n LYS 118 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 3kiy n LYS 118 Cb 0.00 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.23 3kiy n LYS 118 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3kiy h ARG 119 N 0.00 0.69 0.00 1.64 1.12 -1.70 -3.34 114.38 112.79 3kiy h ARG 119 Ca 0.00 -0.20 0.00 0.00 -1.11 0.00 0.00 59.98 58.67 3kiy h ARG 119 Cb 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 29.89 3kiy h ARG 119 CO 0.00 0.76 0.00 0.91 -3.11 0.00 0.00 179.97 178.53 3kiy n TRP 120 N -4.19 0.00 -1.59 2.20 5.03 -1.26 -5.00 117.44 112.62 3kiy n TRP 120 Ca 0.01 0.00 -0.10 0.00 3.03 0.00 0.00 57.50 60.44 3kiy n TRP 120 Cb 0.33 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.58 3kiy n TRP 120 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 3kiy n ASN 121 N -0.18 -3.98 -4.00 -0.99 4.13 -1.26 -4.66 115.26 104.33 3kiy n ASN 121 Ca 0.00 0.17 -0.29 0.00 1.68 0.00 0.00 54.58 56.14 3kiy n ASN 121 Cb 0.08 -2.66 0.28 0.00 -1.54 0.00 0.00 39.78 35.94 3kiy n ASN 121 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3kiy s PHE 122 N -2.43 0.41 -0.18 3.10 0.40 -1.26 -4.81 117.98 113.22 3kiy s PHE 122 Ca 0.00 0.90 0.11 0.00 -0.60 0.00 0.00 56.93 57.33 3kiy s PHE 122 Cb 0.00 -2.98 -0.23 0.00 0.51 0.00 0.00 43.02 40.32 3kiy s PHE 122 CO 0.00 -4.48 0.14 0.00 0.70 0.00 0.00 175.22 171.58 3kiy n ALA 123 N -5.32 1.42 -1.44 5.36 0.00 -1.26 -4.64 120.51 114.63 3kiy n ALA 123 Ca 0.07 -1.09 0.18 0.00 0.00 0.00 0.00 53.44 52.60 3kiy n ALA 123 Cb 0.57 -0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 3kiy n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kiy n GLY 124 N 1.86 -2.57 3.26 0.00 0.00 -1.26 -4.86 105.19 101.62 3kiy n GLY 124 Ca -0.33 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 3kiy n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kiy n GLY 125 N -4.27 -3.59 3.69 -0.02 0.00 -0.90 -4.96 105.19 95.14 3kiy n GLY 125 Ca -0.04 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 3kiy n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kiy s PRO 126 N -4.91 4.41 0.46 1.61 0.04 -1.26 -4.75 135.00 130.60 3kiy s PRO 126 Ca 0.67 1.20 0.38 0.00 0.04 0.00 0.00 61.00 63.29 3kiy s PRO 126 Cb -0.15 -3.52 1.50 0.00 0.04 0.00 0.00 34.50 32.37 3kiy s PRO 126 CO 0.58 -0.22 1.46 -0.25 0.04 0.00 0.00 177.00 178.61 3kiy n ASP 127 N 4.72 0.10 0.00 6.66 9.92 -1.26 -4.66 116.55 132.03 3kiy n ASP 127 Ca 0.05 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.44 3kiy n ASP 127 Cb 0.49 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 3kiy n ASP 127 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3kiy n SER 128 N -4.21 0.00 0.00 -2.24 3.41 -1.26 -5.01 113.62 104.31 3kiy n SER 128 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 3kiy n SER 128 Cb 1.67 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 3kiy n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kiy n HIS 129 N 0.00 0.00 0.00 7.33 8.25 -1.26 -4.75 115.22 124.79 3kiy n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kiy n HIS 129 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3kiy n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kiy n GLY 130 N 0.00 0.88 3.52 -1.41 0.00 -1.26 -5.07 105.19 101.85 3kiy n GLY 130 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3kiy n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy s ALA 131 N -2.66 -0.19 0.00 4.61 0.00 -1.26 -4.99 121.76 117.27 3kiy s ALA 131 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3kiy s ALA 131 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3kiy s ALA 131 CO 0.00 -3.69 0.03 1.58 0.00 0.00 0.00 175.76 173.68 3kiy n HIS 132 N -4.81 0.00 -1.46 0.00 -0.00 -1.26 -4.78 115.22 102.91 3kiy n HIS 132 Ca 0.04 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.00 3kiy n HIS 132 Cb 0.56 0.00 0.13 0.00 -0.12 0.00 0.00 29.99 30.56 3kiy n HIS 132 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3kiy n LYS 133 N -0.14 2.48 -0.89 1.57 5.02 -1.26 -4.29 118.16 120.66 3kiy n LYS 133 Ca 0.00 -3.34 -0.00 0.00 -2.02 0.00 0.00 58.31 52.94 3kiy n LYS 133 Cb 0.06 -2.12 -0.01 0.00 -0.02 0.00 0.00 35.03 32.94 3kiy n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kiy n ILE 134 N -1.00 0.00 -0.03 -0.18 -5.35 -1.26 -4.96 119.36 106.58 3kiy n ILE 134 Ca 0.50 -0.28 -0.09 0.00 -0.27 0.00 0.00 62.75 62.61 3kiy n ILE 134 Cb 1.07 0.53 -0.03 0.00 -1.74 0.00 0.00 39.64 39.47 3kiy n ILE 134 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 3kiy h HIS 135 N 0.28 -0.06 -0.49 4.28 3.86 -1.87 -2.87 115.15 118.28 3kiy h HIS 135 Ca -0.19 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 58.95 3kiy h HIS 135 Cb 1.46 0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.93 3kiy h HIS 135 CO -0.02 -0.05 0.07 0.54 0.86 0.00 0.00 177.93 179.33 3kiy n ARG 136 N -5.16 3.52 -2.29 2.45 1.74 -1.26 -2.11 116.66 113.55 3kiy n ARG 136 Ca -0.03 -3.03 -0.32 0.00 -0.77 0.00 0.00 57.85 53.70 3kiy n ARG 136 Cb 0.10 -2.05 -0.02 0.00 -1.02 0.00 0.00 32.46 29.47 3kiy n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3kiy s HIS 137 N -2.91 3.51 0.32 -1.55 3.76 -1.09 -4.82 115.29 112.50 3kiy s HIS 137 Ca 0.49 1.37 0.08 0.00 -0.15 0.00 0.00 55.06 56.85 3kiy s HIS 137 Cb 0.40 -2.73 0.55 0.00 1.11 0.00 0.00 32.58 31.90 3kiy s HIS 137 CO 0.11 -0.44 1.76 -1.00 -0.85 0.00 0.00 174.74 174.32 3kiy h PRO 138 N 0.58 0.20 0.00 8.40 0.13 -1.93 -3.34 132.00 136.03 3kiy h PRO 138 Ca -0.46 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3kiy h PRO 138 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kiy h PRO 138 CO 0.62 0.53 0.00 0.41 -0.23 0.00 0.00 178.00 179.33 3kiy n GLY 139 N -0.34 0.84 3.91 1.56 0.00 -1.26 -4.87 105.19 105.04 3kiy n GLY 139 Ca -0.01 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 3kiy n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kiy s SER 140 N -4.00 5.72 0.00 1.61 0.15 -1.26 -5.01 113.70 110.90 3kiy s SER 140 Ca 0.00 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.43 3kiy s SER 140 Cb 0.00 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 3kiy s SER 140 CO 0.00 -0.98 0.00 2.30 1.20 0.00 0.00 173.24 175.76 3kiy n ILE 141 N -2.54 0.00 -3.17 6.45 -5.35 -1.26 -5.13 119.36 108.36 3kiy n ILE 141 Ca 0.04 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 3kiy n ILE 141 Cb 0.57 0.98 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 3kiy n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kiy n GLY 142 N 0.06 4.24 0.00 3.28 0.00 -1.26 -4.75 105.19 106.76 3kiy n GLY 142 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3kiy n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kiy n ASN 143 N -1.01 0.00 0.00 1.61 5.03 -1.26 -5.14 115.26 114.49 3kiy n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3kiy n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3kiy n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3kiy n ARG 144 N 0.00 0.11 -0.03 3.52 5.12 -1.26 -4.98 116.66 119.15 3kiy n ARG 144 Ca 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 3kiy n ARG 144 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 3kiy n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3kiy h LYS 145 N 0.00 -0.41 -5.58 5.56 1.79 -2.02 -3.12 116.57 112.79 3kiy h LYS 145 Ca 0.00 0.03 -0.61 0.00 -2.18 0.00 0.00 60.65 57.89 3kiy h LYS 145 Cb 0.00 0.09 -0.09 0.00 -1.58 0.00 0.00 32.23 30.65 3kiy h LYS 145 CO 0.00 -0.27 -0.36 0.95 -1.08 0.00 0.00 179.45 178.69 3kiy s THR 146 N -5.08 5.31 0.24 -0.16 -4.23 -1.26 0.35 115.64 110.81 3kiy s THR 146 Ca -0.12 0.48 0.20 0.00 -1.18 0.00 0.00 61.69 61.07 3kiy s THR 146 Cb 0.06 -3.58 0.16 0.00 1.34 0.00 0.00 72.50 70.48 3kiy s THR 146 CO 0.47 0.47 1.81 1.55 -0.54 0.00 0.00 174.62 178.38 3kiy h PRO 147 N 6.00 0.00 0.00 3.99 0.13 -1.96 -3.44 132.00 136.72 3kiy h PRO 147 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3kiy h PRO 147 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kiy h PRO 147 CO 0.70 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 179.20 3kiy n GLY 148 N -0.02 0.40 3.22 1.56 0.00 0.16 -5.02 105.19 105.49 3kiy n GLY 148 Ca -0.01 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 3kiy n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kiy n ARG 149 N -2.41 0.79 -4.93 1.61 1.85 -1.26 -5.07 116.66 107.24 3kiy n ARG 149 Ca 0.00 -2.38 -0.32 0.00 -1.00 0.00 0.00 57.85 54.15 3kiy n ARG 149 Cb 0.14 2.50 -0.17 0.00 -1.05 0.00 0.00 32.46 33.88 3kiy n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3kiy s VAL 150 N -2.56 2.04 -0.35 8.89 1.01 -1.26 -4.69 120.40 123.48 3kiy s VAL 150 Ca 0.22 -0.99 -0.40 0.00 0.00 0.00 0.00 61.98 60.81 3kiy s VAL 150 Cb -0.02 -1.79 -0.15 0.00 0.00 0.00 0.00 36.38 34.42 3kiy s VAL 150 CO 0.16 0.55 1.90 -1.22 0.00 0.00 0.00 175.10 176.49 3kiy n TYR 151 N 3.81 1.80 -1.64 5.22 4.01 -1.26 -4.84 117.16 124.26 3kiy n TYR 151 Ca -0.20 0.55 -0.44 0.00 -0.16 0.00 0.00 57.90 57.66 3kiy n TYR 151 Cb 0.52 -2.44 -0.04 0.00 -0.31 0.00 0.00 39.34 37.08 3kiy n TYR 151 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3kiy n LYS 152 N 6.29 2.45 0.00 -0.72 4.81 -1.26 -1.17 118.16 128.56 3kiy n LYS 152 Ca 0.34 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.64 3kiy n LYS 152 Cb 0.12 -2.97 0.00 0.00 0.02 0.00 0.00 35.03 32.19 3kiy n LYS 152 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kiy n GLY 153 N 4.90 1.47 3.72 3.14 0.00 -1.26 -5.08 105.19 112.09 3kiy n GLY 153 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3kiy n GLY 153 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kiy s LYS 154 N -0.05 4.33 0.00 1.61 2.47 -0.32 -4.96 119.74 122.84 3kiy s LYS 154 Ca 0.00 2.09 -0.30 0.00 -1.56 0.00 0.00 55.97 56.20 3kiy s LYS 154 Cb 0.00 -3.22 -0.06 0.00 -1.46 0.00 0.00 37.83 33.09 3kiy s LYS 154 CO 0.00 -0.39 1.40 0.15 0.16 0.00 0.00 175.35 176.66 3kiy s LYS 155 N 0.71 4.29 0.28 4.03 1.02 -1.26 -4.96 119.74 123.85 3kiy s LYS 155 Ca 0.62 1.96 -0.08 0.00 0.02 0.00 0.00 55.97 58.50 3kiy s LYS 155 Cb -0.37 -3.56 -0.00 0.00 -0.52 0.00 0.00 37.83 33.38 3kiy s LYS 155 CO 0.33 -0.56 0.46 -1.64 -0.92 0.00 0.00 175.35 173.01 3kiy s MET 156 N 2.33 1.68 0.73 1.68 -1.94 -1.26 -5.07 119.30 117.44 3kiy s MET 156 Ca 0.64 -1.49 -0.13 0.00 -1.71 0.00 0.00 55.69 53.00 3kiy s MET 156 Cb -0.31 0.45 0.03 0.00 2.01 0.00 0.00 34.83 37.01 3kiy s MET 156 CO 0.27 -0.69 1.11 0.00 -0.01 0.00 0.00 175.02 175.70 3kiy s ALA 157 N -3.59 2.29 0.00 3.03 0.00 -1.26 -4.64 121.76 117.59 3kiy s ALA 157 Ca 0.27 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.70 3kiy s ALA 157 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3kiy s ALA 157 CO 0.14 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 174.69 3kiy n GLY 158 N -0.65 -1.11 3.77 0.00 0.00 -0.67 -4.92 105.19 101.60 3kiy n GLY 158 Ca 0.10 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 3kiy n GLY 158 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kiy s HIS 159 N -3.00 2.95 -0.06 1.61 5.65 -1.26 -0.05 115.29 121.13 3kiy s HIS 159 Ca 0.00 1.42 -0.04 0.00 0.25 0.00 0.00 55.06 56.69 3kiy s HIS 159 Cb 0.00 -3.66 0.02 0.00 -1.18 0.00 0.00 32.58 27.77 3kiy s HIS 159 CO 0.00 -1.92 0.16 -0.47 -0.65 0.00 0.00 174.74 171.85 3kiy s TYR 160 N -1.21 -0.18 0.00 3.88 6.04 -0.06 -4.81 117.35 121.02 3kiy s TYR 160 Ca 0.53 0.46 0.00 0.00 0.04 0.00 0.00 57.07 58.09 3kiy s TYR 160 Cb -0.39 0.01 0.00 0.00 -1.04 0.00 0.00 41.96 40.54 3kiy s TYR 160 CO 0.50 -0.12 0.00 0.41 -1.54 0.00 0.00 175.55 174.80 3kiy n GLY 161 N 3.49 -2.33 3.51 8.97 0.00 -1.26 -0.05 105.19 117.52 3kiy n GLY 161 Ca -0.18 -1.66 -0.19 0.00 0.00 0.00 0.00 46.02 43.98 3kiy n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy n ALA 162 N -0.14 -2.15 -2.18 4.61 0.00 0.77 -4.64 120.51 116.79 3kiy n ALA 162 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 3kiy n ALA 162 Cb 0.00 -3.03 -0.10 0.00 0.00 0.00 0.00 19.45 16.32 3kiy n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3kiy s GLU 163 N -5.44 0.99 -0.19 0.00 -1.05 -1.21 -4.86 118.70 106.94 3kiy s GLU 163 Ca 0.12 -1.48 -0.29 0.00 -0.15 0.00 0.00 54.97 53.18 3kiy s GLU 163 Cb -0.02 0.11 -0.02 0.00 -0.44 0.00 0.00 34.13 33.76 3kiy s GLU 163 CO 0.77 -0.24 1.48 0.50 0.95 0.00 0.00 175.26 178.72 3kiy s ARG 164 N -4.02 3.99 -0.07 -4.83 3.52 -1.26 -0.52 118.95 115.75 3kiy s ARG 164 Ca 0.25 1.68 -0.01 0.00 -0.13 0.00 0.00 55.73 57.52 3kiy s ARG 164 Cb 0.07 -3.93 0.03 0.00 -1.56 0.00 0.00 34.95 29.56 3kiy s ARG 164 CO 0.03 -1.04 -0.01 0.08 -0.81 0.00 0.00 175.30 173.55 3kiy s VAL 165 N 4.43 0.47 -0.12 7.11 1.01 0.82 -4.92 120.40 129.20 3kiy s VAL 165 Ca 0.65 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 3kiy s VAL 165 Cb -0.24 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 3kiy s VAL 165 CO 0.25 0.27 -0.07 -0.89 0.00 0.00 0.00 175.10 174.65 3kiy s THR 166 N 1.77 3.65 -0.11 3.92 2.01 -1.26 -1.51 115.64 124.11 3kiy s THR 166 Ca 0.02 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 3kiy s THR 166 Cb -0.13 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 3kiy s THR 166 CO -0.05 0.54 -0.09 0.54 -0.69 0.00 0.00 174.62 174.87 3kiy s VAL 167 N -0.07 3.46 0.37 3.82 0.11 -0.43 -4.97 120.40 122.69 3kiy s VAL 167 Ca 0.00 -0.54 0.08 0.00 -2.93 0.00 0.00 61.98 58.59 3kiy s VAL 167 Cb -0.13 -2.44 -0.03 0.00 -1.53 0.00 0.00 36.38 32.25 3kiy s VAL 167 CO 0.03 0.55 0.31 -0.04 -3.33 0.00 0.00 175.10 172.62 3kiy s MET 168 N -0.13 2.61 -1.37 1.54 1.00 -1.26 -1.33 119.30 120.36 3kiy s MET 168 Ca 0.01 -1.42 -0.01 0.00 0.00 0.00 0.00 55.69 54.27 3kiy s MET 168 Cb -0.13 -2.41 0.01 0.00 0.00 0.00 0.00 34.83 32.30 3kiy s MET 168 CO 0.03 -0.02 0.59 -1.71 0.00 0.00 0.00 175.02 173.91 3kiy n ASN 169 N -1.42 -0.99 -4.85 3.03 4.05 -1.05 -4.91 115.26 109.12 3kiy n ASN 169 Ca 0.00 -0.91 -0.36 0.00 0.45 0.00 0.00 54.58 53.77 3kiy n ASN 169 Cb 0.61 -3.56 -0.06 0.00 1.23 0.00 0.00 39.78 38.00 3kiy n ASN 169 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3kiy s LEU 170 N -6.85 4.38 0.04 1.20 1.02 0.15 -4.73 118.68 113.89 3kiy s LEU 170 Ca 0.05 1.00 -0.28 0.00 0.02 0.00 0.00 54.13 54.92 3kiy s LEU 170 Cb -0.03 -3.05 -0.05 0.00 0.02 0.00 0.00 46.19 43.09 3kiy s LEU 170 CO 0.85 0.17 0.88 -0.70 0.02 0.00 0.00 176.35 177.58 3kiy s GLU 171 N -1.73 4.57 -0.72 1.70 2.12 -1.26 -0.31 118.70 123.07 3kiy s GLU 171 Ca 0.33 1.27 -0.27 0.00 0.36 0.00 0.00 54.97 56.67 3kiy s GLU 171 Cb -0.15 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.85 3kiy s GLU 171 CO 0.18 0.14 1.39 0.08 -0.54 0.00 0.00 175.26 176.51 3kiy s VAL 172 N 0.37 3.66 0.22 3.70 1.01 0.96 -2.30 120.40 128.01 3kiy s VAL 172 Ca 0.45 0.34 -0.09 0.00 0.00 0.00 0.00 61.98 62.68 3kiy s VAL 172 Cb -0.21 -4.74 0.18 0.00 0.00 0.00 0.00 36.38 31.61 3kiy s VAL 172 CO 0.26 -1.68 1.87 0.58 0.00 0.00 0.00 175.10 176.12 3kiy h VAL 173 N 6.21 1.23 -2.75 2.92 2.07 -0.55 -0.63 116.25 124.76 3kiy h VAL 173 Ca -0.26 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 66.85 3kiy h VAL 173 Cb 1.07 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3kiy h VAL 173 CO 1.27 0.24 0.44 -0.62 0.02 0.00 0.00 177.57 178.92 3kiy s ASP 174 N -6.04 0.00 -0.26 0.57 3.68 -0.89 -4.67 116.67 109.06 3kiy s ASP 174 Ca -0.13 -0.89 -0.09 0.00 2.13 0.00 0.00 52.55 53.57 3kiy s ASP 174 Cb 0.16 0.66 0.11 0.00 -1.45 0.00 0.00 42.92 42.40 3kiy s ASP 174 CO 0.80 -1.31 0.56 0.54 0.13 0.00 0.00 175.17 175.89 3kiy s VAL 175 N -2.25 -0.80 -1.08 1.11 0.11 -1.26 -1.15 120.40 115.08 3kiy s VAL 175 Ca 0.19 0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.22 3kiy s VAL 175 Cb -0.04 -0.86 0.27 0.00 -1.53 0.00 0.00 36.38 34.22 3kiy s VAL 175 CO 0.08 0.03 1.07 -0.63 -3.33 0.00 0.00 175.10 172.32 3kiy s ILE 176 N 2.69 5.80 0.37 7.04 1.01 -1.22 -4.85 121.20 132.03 3kiy s ILE 176 Ca -0.05 -3.48 0.15 0.00 0.00 0.00 0.00 60.65 57.27 3kiy s ILE 176 Cb -0.12 -4.49 0.36 0.00 0.01 0.00 0.00 42.46 38.22 3kiy s ILE 176 CO -0.17 -1.17 1.76 1.55 0.00 0.00 0.00 174.94 176.91 3kiy h PRO 177 N 6.58 0.46 -0.98 2.79 0.13 -1.96 -1.17 132.00 137.86 3kiy h PRO 177 Ca 0.18 -0.03 0.15 0.00 -0.87 0.00 0.00 66.00 65.43 3kiy h PRO 177 Cb 0.87 -0.10 -0.16 0.00 0.13 0.00 0.00 31.00 31.73 3kiy h PRO 177 CO 0.99 0.31 -0.38 1.49 -0.23 0.00 0.00 178.00 180.18 3kiy h GLU 178 N 0.48 -0.01 -0.24 0.86 4.57 -1.95 -2.59 114.58 115.70 3kiy h GLU 178 Ca 0.61 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.79 3kiy h GLU 178 Cb 1.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 3kiy h GLU 178 CO -0.36 -0.01 0.00 -1.91 -1.18 0.00 0.00 179.01 175.55 3kiy n GLU 179 N -5.48 2.80 -2.00 1.92 4.07 -0.51 -4.97 120.64 116.47 3kiy n GLU 179 Ca 0.10 -2.13 -0.10 0.00 -0.06 0.00 0.00 57.16 54.98 3kiy n GLU 179 Cb 0.40 -1.34 -0.01 0.00 -0.06 0.00 0.00 31.44 30.43 3kiy n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3kiy n ASN 180 N -0.03 -3.46 -4.73 4.31 3.02 -0.77 -4.95 115.26 108.65 3kiy n ASN 180 Ca 0.11 0.04 -0.24 0.00 -0.03 0.00 0.00 54.58 54.47 3kiy n ASN 180 Cb 0.50 -2.55 0.09 0.00 -0.61 0.00 0.00 39.78 37.21 3kiy n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kiy s LEU 181 N -2.67 3.00 -0.30 3.41 2.01 -1.06 -0.79 118.68 122.29 3kiy s LEU 181 Ca 0.00 -0.15 -0.09 0.00 0.01 0.00 0.00 54.13 53.90 3kiy s LEU 181 Cb 0.00 -2.32 0.18 0.00 0.01 0.00 0.00 46.19 44.05 3kiy s LEU 181 CO 0.00 -1.74 0.87 -0.22 1.01 0.00 0.00 176.35 176.26 3kiy s LEU 182 N -5.13 -0.83 -0.25 1.79 2.96 -0.65 -3.39 118.68 113.18 3kiy s LEU 182 Ca 0.64 0.67 -0.11 0.00 -0.22 0.00 0.00 54.13 55.11 3kiy s LEU 182 Cb -0.07 1.75 -0.05 0.00 0.50 0.00 0.00 46.19 48.33 3kiy s LEU 182 CO 0.44 -0.16 0.20 -0.76 -1.32 0.00 0.00 176.35 174.75 3kiy s LEU 183 N 2.81 4.09 0.37 -0.68 1.02 -0.30 -1.33 118.68 124.66 3kiy s LEU 183 Ca 0.05 0.12 0.08 0.00 0.02 0.00 0.00 54.13 54.41 3kiy s LEU 183 Cb -0.11 -2.16 -0.06 0.00 0.02 0.00 0.00 46.19 43.88 3kiy s LEU 183 CO -0.16 0.02 0.01 0.68 0.02 0.00 0.00 176.35 176.92 3kiy s VAL 184 N 1.29 2.34 0.00 -1.59 -7.23 -0.63 0.20 120.40 114.78 3kiy s VAL 184 Ca 0.09 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.25 3kiy s VAL 184 Cb -0.14 -2.84 -0.09 0.00 0.56 0.00 0.00 36.38 33.86 3kiy s VAL 184 CO 0.07 -0.12 1.61 0.29 -0.31 0.00 0.00 175.10 176.64 3kiy n LYS 185 N -0.97 0.72 -0.45 4.82 4.76 -0.97 -0.43 118.16 125.64 3kiy n LYS 185 Ca -0.04 -0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.05 3kiy n LYS 185 Cb 0.64 -1.67 -0.00 0.00 -1.84 0.00 0.00 35.03 32.16 3kiy n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kiy n GLY 186 N 2.76 -0.06 2.12 0.72 0.00 -1.06 -4.80 105.19 104.86 3kiy n GLY 186 Ca 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 3kiy n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy n ALA 187 N -1.82 -1.45 -3.47 4.61 0.00 -1.26 -4.82 120.51 112.30 3kiy n ALA 187 Ca -0.00 0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 3kiy n ALA 187 Cb 0.50 -1.80 -0.17 0.00 0.00 0.00 0.00 19.45 17.98 3kiy n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kiy s VAL 188 N -3.09 1.68 0.78 0.00 0.11 -1.26 -4.98 120.40 113.63 3kiy s VAL 188 Ca 0.11 -0.78 -0.14 0.00 -2.93 0.00 0.00 61.98 58.24 3kiy s VAL 188 Cb -0.01 -1.49 -0.07 0.00 -1.53 0.00 0.00 36.38 33.27 3kiy s VAL 188 CO 0.27 0.48 -0.68 -0.81 -3.33 0.00 0.00 175.10 171.03 3kiy n PRO 189 N 3.87 -0.23 -0.68 1.54 -0.04 -1.26 -4.90 135.00 133.31 3kiy n PRO 189 Ca -0.20 -0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.28 3kiy n PRO 189 Cb 0.52 -1.06 -0.04 0.00 -0.04 0.00 0.00 33.50 32.88 3kiy n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kiy n GLY 190 N 3.14 -2.83 3.95 0.55 0.00 -1.25 -4.78 105.19 103.97 3kiy n GLY 190 Ca -0.00 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 3kiy n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kiy s PRO 191 N -3.39 2.93 0.74 1.61 0.04 -1.26 -4.83 135.00 130.84 3kiy s PRO 191 Ca 0.00 -0.41 -0.16 0.00 0.04 0.00 0.00 61.00 60.47 3kiy s PRO 191 Cb 0.00 -2.47 0.02 0.00 0.04 0.00 0.00 34.50 32.09 3kiy s PRO 191 CO 0.00 -0.46 1.04 0.09 0.04 0.00 0.00 177.00 177.71 3kiy n ASN 192 N -2.26 0.72 -0.42 6.66 5.03 -1.26 -2.02 115.26 121.70 3kiy n ASN 192 Ca 0.03 0.66 -0.06 0.00 0.87 0.00 0.00 54.58 56.09 3kiy n ASN 192 Cb 0.58 -1.44 -0.02 0.00 -1.02 0.00 0.00 39.78 37.88 3kiy n ASN 192 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kiy n GLY 193 N 0.97 0.80 3.79 7.41 0.00 0.20 -4.96 105.19 113.39 3kiy n GLY 193 Ca 0.13 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 3kiy n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kiy s GLY 194 N -2.72 1.94 0.18 -0.02 0.00 -0.86 -4.89 107.32 100.95 3kiy s GLY 194 Ca 0.00 -1.06 -0.30 0.00 0.00 0.00 0.00 44.72 43.36 3kiy s GLY 194 CO 0.00 -1.05 1.11 -2.27 0.00 0.00 0.00 173.10 170.89 3kiy s LEU 195 N -2.60 4.49 0.05 0.66 2.96 -1.26 -1.15 118.68 121.83 3kiy s LEU 195 Ca 0.30 2.10 -0.04 0.00 -0.22 0.00 0.00 54.13 56.27 3kiy s LEU 195 Cb -0.12 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 3kiy s LEU 195 CO 0.23 -0.23 0.05 0.68 -1.32 0.00 0.00 176.35 175.75 3kiy s VAL 196 N -0.23 0.17 -0.04 1.68 -7.23 -1.17 -4.34 120.40 109.24 3kiy s VAL 196 Ca 0.50 -1.42 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 3kiy s VAL 196 Cb -0.30 -1.23 0.01 0.00 0.56 0.00 0.00 36.38 35.42 3kiy s VAL 196 CO 0.35 -0.79 -0.09 0.27 -0.31 0.00 0.00 175.10 174.54 3kiy s ILE 197 N -3.40 0.81 -0.33 -0.62 -4.36 -0.61 -0.27 121.20 112.42 3kiy s ILE 197 Ca 0.02 -0.33 -0.06 0.00 -0.26 0.00 0.00 60.65 60.02 3kiy s ILE 197 Cb 0.04 -0.75 0.03 0.00 1.25 0.00 0.00 42.46 43.03 3kiy s ILE 197 CO -0.08 0.27 0.10 -0.69 0.24 0.00 0.00 174.94 174.78 3kiy s VAL 198 N 0.51 3.81 0.26 8.37 1.01 -0.37 -1.80 120.40 132.19 3kiy s VAL 198 Ca -0.09 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 60.93 3kiy s VAL 198 Cb -0.12 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3kiy s VAL 198 CO 0.01 -0.12 0.08 -0.13 0.00 0.00 0.00 175.10 174.94 3kiy s ARG 199 N 1.42 2.58 0.15 2.72 0.52 -0.83 -1.81 118.95 123.70 3kiy s ARG 199 Ca -0.01 -1.25 -0.30 0.00 -0.52 0.00 0.00 55.73 53.65 3kiy s ARG 199 Cb -0.19 -2.34 -0.07 0.00 0.52 0.00 0.00 34.95 32.87 3kiy s ARG 199 CO 0.03 0.38 1.07 -1.83 0.02 0.00 0.00 175.30 174.97 3kiy s GLU 200 N -3.72 4.60 0.80 3.54 -1.05 -1.18 -0.92 118.70 120.77 3kiy s GLU 200 Ca 0.32 1.65 -0.12 0.00 -0.15 0.00 0.00 54.97 56.67 3kiy s GLU 200 Cb -0.07 -3.31 0.18 0.00 -0.44 0.00 0.00 34.13 30.49 3kiy s GLU 200 CO 0.22 0.07 0.41 -2.37 0.95 0.00 0.00 175.26 174.55 3kiy n THR 201 N 2.66 0.00 -4.61 1.83 5.66 -0.83 -4.63 114.28 114.36 3kiy n THR 201 Ca 0.03 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.78 3kiy n THR 201 Cb 0.47 -0.47 -0.14 0.00 -1.55 0.00 0.00 70.33 68.64 3kiy n THR 201 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3kiy s LYS 202 N -3.49 1.35 0.00 1.09 3.01 -1.26 -4.73 119.74 115.71 3kiy s LYS 202 Ca 0.32 -0.95 0.00 0.00 -1.01 0.00 0.00 55.97 54.33 3kiy s LYS 202 Cb -0.06 -1.48 0.00 0.00 -1.01 0.00 0.00 37.83 35.29 3kiy s LYS 202 CO 0.27 0.37 0.00 0.36 0.51 0.00 0.00 175.35 176.86 3kiy n LYS 203 N 1.79 0.00 0.00 1.68 -0.00 -1.26 -4.86 118.16 115.51 3kiy n LYS 203 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 3kiy n LYS 203 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 3kiy n LYS 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40