#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1y s THR 3 N 0.00 1.46 -0.21 0.55 -4.23 -1.26 -0.81 115.64 111.14 3k1y s THR 3 Ca 0.00 -0.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 3k1y s THR 3 Cb 0.00 -1.23 0.04 0.00 1.34 0.00 0.00 72.50 72.65 3k1y s THR 3 CO 0.00 0.35 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.07 3k1y s LEU 4 N -0.59 2.62 0.24 4.79 2.96 0.53 -1.06 118.68 128.16 3k1y s LEU 4 Ca 0.07 -0.97 -0.17 0.00 -0.22 0.00 0.00 54.13 52.84 3k1y s LEU 4 Cb -0.07 -1.43 -0.08 0.00 0.50 0.00 0.00 46.19 45.10 3k1y s LEU 4 CO -0.00 -0.11 0.69 0.00 -1.32 0.00 0.00 176.35 175.61 3k1y s ALA 5 N 1.26 3.42 -0.03 5.97 0.00 -0.43 -1.50 121.76 130.45 3k1y s ALA 5 Ca -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 3k1y s ALA 5 Cb -0.16 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.26 3k1y s ALA 5 CO -0.09 0.36 0.04 0.08 0.00 0.00 0.00 175.76 176.15 3k1y s VAL 6 N -1.67 -0.07 -0.26 0.00 1.01 -0.86 -1.61 120.40 116.94 3k1y s VAL 6 Ca 0.46 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.71 3k1y s VAL 6 Cb -0.14 -0.10 0.05 0.00 0.00 0.00 0.00 36.38 36.19 3k1y s VAL 6 CO 0.20 0.10 -0.09 -0.63 0.00 0.00 0.00 175.10 174.68 3k1y s ILE 7 N 1.27 2.38 -0.03 2.22 -1.09 -0.42 0.39 121.20 125.92 3k1y s ILE 7 Ca -0.07 -1.48 0.01 0.00 -2.23 0.00 0.00 60.65 56.89 3k1y s ILE 7 Cb -0.13 -2.35 -0.03 0.00 -1.58 0.00 0.00 42.46 38.37 3k1y s ILE 7 CO -0.03 0.02 -0.02 -0.55 -1.23 0.00 0.00 174.94 173.14 3k1y s SER 8 N 1.17 5.03 -0.09 3.58 0.15 -0.61 -0.53 113.70 122.39 3k1y s SER 8 Ca -0.06 0.01 0.13 0.00 0.70 0.00 0.00 55.95 56.73 3k1y s SER 8 Cb -0.19 -1.32 0.19 0.00 -1.71 0.00 0.00 66.02 62.99 3k1y s SER 8 CO -0.05 0.32 1.08 0.00 1.20 0.00 0.00 173.24 175.79 3k1y n ALA 9 N 1.72 2.14 -1.24 5.45 0.00 -1.14 -1.52 120.51 125.92 3k1y n ALA 9 Ca -0.16 -2.07 -0.31 0.00 0.00 0.00 0.00 53.44 50.89 3k1y n ALA 9 Cb 0.53 -0.33 0.09 0.00 0.00 0.00 0.00 19.45 19.74 3k1y n ALA 9 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k1y s GLY 10 N -2.23 1.68 0.00 0.00 0.00 -1.26 -4.75 107.32 100.76 3k1y s GLY 10 Ca 0.21 0.28 0.02 0.00 0.00 0.00 0.00 44.72 45.23 3k1y s GLY 10 CO 0.02 0.63 0.93 1.04 0.00 0.00 0.00 173.10 175.72 3k1y n LEU 11 N -3.55 1.94 -4.94 0.66 4.32 -1.26 -4.37 117.00 109.81 3k1y n LEU 11 Ca 0.09 -1.74 -0.20 0.00 -0.02 0.00 0.00 56.01 54.14 3k1y n LEU 11 Cb 0.53 -0.04 -0.00 0.00 -1.62 0.00 0.00 43.42 42.29 3k1y n LEU 11 CO 0.53 0.48 0.09 -0.44 -1.22 0.00 0.00 177.39 176.84 3k1y s SER 12 N -0.79 5.17 -0.24 -1.43 0.01 -1.26 -5.07 113.70 110.09 3k1y s SER 12 Ca 0.04 -0.74 -0.03 0.00 1.31 0.00 0.00 55.95 56.54 3k1y s SER 12 Cb 0.02 -0.35 0.13 0.00 0.21 0.00 0.00 66.02 66.03 3k1y s SER 12 CO 0.03 -0.83 0.35 0.42 0.41 0.00 0.00 173.24 173.62 3k1y s THR 13 N -2.51 -0.56 0.51 1.44 -4.23 -1.26 -3.08 115.64 105.95 3k1y s THR 13 Ca 0.50 -0.08 -0.21 0.00 -1.18 0.00 0.00 61.69 60.72 3k1y s THR 13 Cb -0.05 -0.80 -0.07 0.00 1.34 0.00 0.00 72.50 72.93 3k1y s THR 13 CO 0.30 -0.14 1.14 -2.16 -0.54 0.00 0.00 174.62 173.22 3k1y s PRO 14 N 2.51 3.54 -0.18 3.99 0.04 -1.26 -5.14 135.00 138.50 3k1y s PRO 14 Ca 0.12 1.66 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 3k1y s PRO 14 Cb -0.15 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 3k1y s PRO 14 CO -0.15 -0.71 0.48 0.45 0.04 0.00 0.00 177.00 177.11 3k1y s SER 15 N -1.63 6.57 0.16 6.66 0.15 -1.18 -4.97 113.70 119.47 3k1y s SER 15 Ca 0.69 0.68 -0.12 0.00 0.70 0.00 0.00 55.95 57.89 3k1y s SER 15 Cb -0.25 -2.28 0.06 0.00 -1.71 0.00 0.00 66.02 61.84 3k1y s SER 15 CO 0.29 -0.10 1.70 0.28 1.20 0.00 0.00 173.24 176.60 3k1y h SER 16 N 7.23 0.81 -0.98 5.45 0.02 -2.00 -0.96 113.55 123.12 3k1y h SER 16 Ca -0.36 -0.20 0.07 0.00 -0.84 0.00 0.00 61.79 60.46 3k1y h SER 16 Cb 1.16 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.42 3k1y h SER 16 CO 0.74 0.79 0.63 0.74 -1.14 0.00 0.00 176.83 178.59 3k1y h THR 17 N 0.78 1.06 -0.17 -2.27 2.02 -1.93 0.44 112.91 112.84 3k1y h THR 17 Ca 0.18 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.84 3k1y h THR 17 Cb 0.27 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 3k1y h THR 17 CO -0.01 0.20 -0.48 -0.09 0.37 0.00 0.00 175.52 175.51 3k1y h ARG 18 N 1.11 0.43 0.15 6.66 9.65 -1.83 -2.46 114.38 128.10 3k1y h ARG 18 Ca 0.43 -0.25 -0.00 0.00 -1.10 0.00 0.00 59.98 59.06 3k1y h ARG 18 Cb 0.22 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 3k1y h ARG 18 CO -0.18 0.83 -0.18 1.96 2.80 0.00 0.00 179.97 185.20 3k1y h GLN 19 N 0.35 -0.32 -0.94 0.20 4.20 0.42 0.20 115.11 119.22 3k1y h GLN 19 Ca 0.02 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.85 3k1y h GLN 19 Cb 0.98 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.76 3k1y h GLN 19 CO 0.09 -0.21 0.60 0.97 -0.67 0.00 0.00 178.83 179.60 3k1y h ILE 20 N -0.33 0.97 -0.68 2.54 6.09 -1.48 -0.60 117.51 124.01 3k1y h ILE 20 Ca -0.02 -0.33 0.06 0.00 -1.37 0.00 0.00 64.86 63.20 3k1y h ILE 20 Cb 0.30 -0.07 -0.06 0.00 0.47 0.00 0.00 36.82 37.46 3k1y h ILE 20 CO -0.04 0.17 0.38 0.00 -3.07 0.00 0.00 178.15 175.60 3k1y h ALA 21 N 1.54 0.92 -0.32 0.18 0.00 -1.13 0.29 119.26 120.73 3k1y h ALA 21 Ca 0.44 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.19 3k1y h ALA 21 Cb 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3k1y h ALA 21 CO -0.20 0.06 -0.48 -0.44 0.00 0.00 0.00 179.25 178.19 3k1y h ASP 22 N 0.70 0.96 -0.77 0.00 3.32 0.46 -1.12 116.42 119.97 3k1y h ASP 22 Ca 0.31 -0.48 0.05 0.00 0.02 0.00 0.00 57.03 56.92 3k1y h ASP 22 Cb 0.19 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 3k1y h ASP 22 CO -0.18 1.27 0.48 0.28 -1.72 0.00 0.00 179.24 179.37 3k1y h SER 23 N 0.69 0.76 0.09 6.45 0.02 -0.56 0.75 113.55 121.75 3k1y h SER 23 Ca 0.03 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3k1y h SER 23 Cb 1.08 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3k1y h SER 23 CO 0.11 0.51 -0.04 0.40 -1.14 0.00 0.00 176.83 176.66 3k1y h ILE 24 N 0.90 1.14 -0.36 3.27 2.04 -0.83 -1.68 117.51 121.99 3k1y h ILE 24 Ca 0.33 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.30 3k1y h ILE 24 Cb 0.10 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3k1y h ILE 24 CO -0.15 0.22 0.20 0.77 0.00 0.00 0.00 178.15 179.20 3k1y h SER 25 N -0.54 0.32 -0.44 1.72 4.64 -1.00 0.23 113.55 118.47 3k1y h SER 25 Ca -0.01 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.36 3k1y h SER 25 Cb 0.45 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 3k1y h SER 25 CO 0.02 0.23 0.19 -0.33 -0.87 0.00 0.00 176.83 176.07 3k1y h GLU 26 N 0.41 0.37 -0.78 4.77 5.08 -0.90 0.29 114.58 123.82 3k1y h GLU 26 Ca 0.14 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3k1y h GLU 26 Cb 0.02 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 3k1y h GLU 26 CO -0.08 0.25 0.50 0.00 -1.00 0.00 0.00 179.01 178.68 3k1y h ALA 27 N 1.26 1.01 -0.75 3.43 0.00 -0.67 -0.20 119.26 123.35 3k1y h ALA 27 Ca 0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3k1y h ALA 27 Cb 0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3k1y h ALA 27 CO -0.17 0.32 0.33 0.28 0.00 0.00 0.00 179.25 180.01 3k1y h VAL 28 N 0.98 1.24 -0.70 0.00 2.07 0.82 0.17 116.25 120.84 3k1y h VAL 28 Ca 0.31 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3k1y h VAL 28 Cb -0.02 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 3k1y h VAL 28 CO -0.10 0.30 0.41 0.74 0.02 0.00 0.00 177.57 178.94 3k1y h THR 29 N 1.07 1.20 -0.51 2.57 2.02 0.70 0.14 112.91 120.10 3k1y h THR 29 Ca 0.26 -0.45 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 3k1y h THR 29 Cb 0.15 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3k1y h THR 29 CO -0.03 0.21 -0.09 0.00 0.37 0.00 0.00 175.52 175.99 3k1y h ALA 30 N 1.22 0.89 -0.33 6.16 0.00 -0.36 -0.74 119.26 126.10 3k1y h ALA 30 Ca 0.25 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3k1y h ALA 30 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3k1y h ALA 30 CO -0.05 0.64 -0.18 0.00 0.00 0.00 0.00 179.25 179.66 3k1y h ALA 31 N 1.06 0.46 0.00 0.00 0.00 -0.34 -0.88 119.26 119.57 3k1y h ALA 31 Ca 0.14 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3k1y h ALA 31 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3k1y h ALA 31 CO 0.04 0.39 -0.31 0.28 0.00 0.00 0.00 179.25 179.65 3k1y h VAL 32 N 0.47 1.04 -0.16 0.00 2.07 -0.65 -2.35 116.25 116.67 3k1y h VAL 32 Ca 0.07 -1.15 -0.17 0.00 0.82 0.00 0.00 66.70 66.28 3k1y h VAL 32 Cb 0.73 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3k1y h VAL 32 CO 0.05 0.31 -0.60 -1.28 0.02 0.00 0.00 177.57 176.07 3k1y h SER 33 N 0.00 0.59 0.73 0.57 0.87 -0.79 -1.60 113.55 113.92 3k1y h SER 33 Ca -0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3k1y h SER 33 Cb 0.63 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3k1y h SER 33 CO 0.04 1.05 0.00 0.00 -0.53 0.00 0.00 176.83 177.39 3k1y n ALA 34 N -2.52 1.71 -0.54 6.23 0.00 -0.37 -1.17 120.51 123.86 3k1y n ALA 34 Ca -0.04 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.54 3k1y n ALA 34 Cb 0.63 -1.36 0.31 0.00 0.00 0.00 0.00 19.45 19.03 3k1y n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k1y n ARG 35 N -2.05 3.34 -2.72 0.00 1.74 -0.99 -4.96 116.66 111.01 3k1y n ARG 35 Ca 0.03 -2.71 -0.08 0.00 -0.77 0.00 0.00 57.85 54.32 3k1y n ARG 35 Cb 0.23 -1.72 0.04 0.00 -1.02 0.00 0.00 32.46 29.99 3k1y n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k1y n GLY 36 N 0.96 0.11 3.33 -0.13 0.00 -0.32 -5.07 105.19 104.07 3k1y n GLY 36 Ca 0.23 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 3k1y n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k1y s GLU 37 N -4.82 0.68 0.40 1.61 2.02 -0.64 -5.01 118.70 112.95 3k1y s GLU 37 Ca 0.05 0.21 -0.17 0.00 0.02 0.00 0.00 54.97 55.07 3k1y s GLU 37 Cb -0.02 0.31 -0.09 0.00 0.10 0.00 0.00 34.13 34.43 3k1y s GLU 37 CO 0.34 -0.16 0.87 0.00 0.02 0.00 0.00 175.26 176.32 3k1y s ALA 38 N -0.69 3.17 -0.08 5.21 0.00 -1.26 -3.30 121.76 124.82 3k1y s ALA 38 Ca -0.08 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 3k1y s ALA 38 Cb -0.04 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.13 3k1y s ALA 38 CO 0.04 0.14 -0.01 -1.17 0.00 0.00 0.00 175.76 174.75 3k1y s LEU 39 N -3.30 0.71 -0.30 0.00 1.98 -1.26 -2.29 118.68 114.22 3k1y s LEU 39 Ca 0.58 -0.12 -0.15 0.00 -2.89 0.00 0.00 54.13 51.55 3k1y s LEU 39 Cb -0.10 -0.50 -0.03 0.00 0.66 0.00 0.00 46.19 46.23 3k1y s LEU 39 CO 0.19 -0.18 0.39 -0.55 -1.89 0.00 0.00 176.35 174.31 3k1y s SER 40 N 1.88 6.24 -0.18 3.68 0.15 0.01 -4.95 113.70 120.53 3k1y s SER 40 Ca 0.04 0.11 -0.08 0.00 0.70 0.00 0.00 55.95 56.71 3k1y s SER 40 Cb -0.12 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 3k1y s SER 40 CO -0.05 -0.27 0.09 0.54 1.20 0.00 0.00 173.24 174.74 3k1y s VAL 41 N 2.11 5.03 -0.21 4.45 0.11 -1.26 -0.35 120.40 130.27 3k1y s VAL 41 Ca 0.15 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 3k1y s VAL 41 Cb -0.16 -3.27 0.05 0.00 -1.53 0.00 0.00 36.38 31.47 3k1y s VAL 41 CO 0.11 0.46 -0.05 -0.55 -3.33 0.00 0.00 175.10 171.74 3k1y s SER 42 N 0.28 3.54 -0.21 3.54 0.15 -0.56 -4.96 113.70 115.47 3k1y s SER 42 Ca 0.05 -1.02 -0.12 0.00 0.70 0.00 0.00 55.95 55.57 3k1y s SER 42 Cb -0.12 -1.10 -0.05 0.00 -1.71 0.00 0.00 66.02 63.05 3k1y s SER 42 CO -0.00 -0.22 0.23 -0.89 1.20 0.00 0.00 173.24 173.56 3k1y s THR 43 N 1.47 5.32 -0.23 6.45 2.01 -1.26 -2.03 115.64 127.38 3k1y s THR 43 Ca -0.04 0.37 -0.09 0.00 0.31 0.00 0.00 61.69 62.24 3k1y s THR 43 Cb -0.18 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 3k1y s THR 43 CO -0.07 0.35 0.11 -0.63 -0.69 0.00 0.00 174.62 173.69 3k1y s ILE 44 N 0.86 4.93 -0.41 1.82 -1.09 0.16 -4.96 121.20 122.51 3k1y s ILE 44 Ca 0.12 0.03 -0.15 0.00 -2.23 0.00 0.00 60.65 58.42 3k1y s ILE 44 Cb -0.13 -3.28 0.03 0.00 -1.58 0.00 0.00 42.46 37.49 3k1y s ILE 44 CO 0.04 0.37 0.30 -1.61 -1.23 0.00 0.00 174.94 172.81 3k1y s GLU 45 N 1.02 2.95 0.43 2.79 0.41 -1.26 -1.58 118.70 123.46 3k1y s GLU 45 Ca 0.06 -1.06 0.13 0.00 -0.41 0.00 0.00 54.97 53.69 3k1y s GLU 45 Cb -0.14 -3.97 1.00 0.00 -1.78 0.00 0.00 34.13 29.24 3k1y s GLU 45 CO 0.04 -0.77 1.98 -0.07 -0.49 0.00 0.00 175.26 175.94 3k1y h LEU 46 N 8.62 0.40 -2.56 1.80 3.38 -1.60 0.19 115.31 125.53 3k1y h LEU 46 Ca -0.27 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3k1y h LEU 46 Cb 1.12 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3k1y h LEU 46 CO 0.74 0.24 0.02 0.77 0.09 0.00 0.00 178.44 180.30 3k1y h SER 47 N 0.44 0.00 -0.30 -0.43 4.64 -1.81 0.67 113.55 116.77 3k1y h SER 47 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3k1y h SER 47 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3k1y h SER 47 CO -0.08 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.26 3k1y n GLU 48 N -2.87 2.15 -0.01 4.77 1.02 0.06 -4.07 120.64 121.69 3k1y n GLU 48 Ca -0.03 -1.74 0.00 0.00 -0.02 0.00 0.00 57.16 55.38 3k1y n GLU 48 Cb 0.08 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3k1y n GLU 48 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k1y n LEU 49 N 0.95 1.60 -0.31 -4.62 4.77 0.22 -4.80 117.00 114.80 3k1y n LEU 49 Ca 0.18 -1.63 0.10 0.00 -0.03 0.00 0.00 56.01 54.62 3k1y n LEU 49 Cb 0.47 -0.02 0.27 0.00 -2.33 0.00 0.00 43.42 41.82 3k1y n LEU 49 CO 0.14 0.41 1.11 0.40 -1.33 0.00 0.00 177.39 178.12 3k1y h ILE 50 N 0.66 0.67 -0.15 -0.08 2.04 -1.69 0.23 117.51 119.19 3k1y h ILE 50 Ca 0.00 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3k1y h ILE 50 Cb 0.63 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3k1y h ILE 50 CO 0.00 0.11 0.02 -0.65 0.00 0.00 0.00 178.15 177.64 3k1y h PRO 51 N 0.62 0.26 -0.61 2.37 0.11 -1.91 -3.13 132.00 129.70 3k1y h PRO 51 Ca 0.51 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.51 3k1y h PRO 51 Cb 0.80 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.86 3k1y h PRO 51 CO -0.40 0.44 0.20 -0.44 -0.21 0.00 0.00 178.00 177.58 3k1y h ASP 52 N 0.04 0.88 0.00 -2.05 5.19 -1.74 -1.26 116.42 117.47 3k1y h ASP 52 Ca 0.05 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 3k1y h ASP 52 Cb 0.31 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.58 3k1y h ASP 52 CO 0.00 0.85 0.00 0.18 -3.12 0.00 0.00 179.24 177.15 3k1y n LEU 53 N -4.40 0.17 0.00 1.55 4.32 0.74 -1.35 117.00 118.03 3k1y n LEU 53 Ca 0.04 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 3k1y n LEU 53 Cb 0.20 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 3k1y n LEU 53 CO 0.40 0.03 0.00 0.41 -1.22 0.00 0.00 177.39 177.01 3k1y n THR 55 N 0.74 0.00 -0.02 -5.08 -1.04 -0.48 -4.83 114.28 103.58 3k1y n THR 55 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3k1y n THR 55 Cb 0.03 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 3k1y n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k1y n ALA 56 N 0.00 2.12 0.00 2.41 0.00 -0.46 0.11 120.51 124.69 3k1y n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k1y n ALA 56 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 3k1y n ALA 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k1y n THR 58 N 1.57 0.00 -3.73 0.00 -2.24 -1.26 -4.58 114.28 104.04 3k1y n THR 58 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 3k1y n THR 58 Cb 0.15 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3k1y n THR 58 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3k1y n THR 59 N -0.04 0.00 -0.01 4.28 -1.04 0.12 -5.08 114.28 112.50 3k1y n THR 59 Ca 0.00 -1.52 -0.01 0.00 -2.04 0.00 0.00 64.05 60.48 3k1y n THR 59 Cb 0.00 -0.20 -0.02 0.00 -1.82 0.00 0.00 70.33 68.29 3k1y n THR 59 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3k1y n ARG 60 N -1.43 3.44 -3.54 -2.82 1.74 -1.26 -5.03 116.66 107.77 3k1y n ARG 60 Ca -0.01 -0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.72 3k1y n ARG 60 Cb 0.44 -1.07 -0.06 0.00 -1.02 0.00 0.00 32.46 30.76 3k1y n ARG 60 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3k1y s VAL 61 N -2.06 5.05 0.25 1.55 1.01 -1.26 -5.01 120.40 119.94 3k1y s VAL 61 Ca -0.01 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 3k1y s VAL 61 Cb 0.01 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 3k1y s VAL 61 CO 0.10 0.33 0.57 -1.00 0.00 0.00 0.00 175.10 175.10 3k1y s HIS 62 N -1.35 3.43 0.63 5.22 3.76 -1.26 -4.68 115.29 121.04 3k1y s HIS 62 Ca 0.32 0.85 -0.17 0.00 -0.15 0.00 0.00 55.06 55.91 3k1y s HIS 62 Cb -0.14 -2.25 -0.01 0.00 1.11 0.00 0.00 32.58 31.28 3k1y s HIS 62 CO 0.17 0.23 1.20 0.95 -0.85 0.00 0.00 174.74 176.44 3k1y s THR 63 N -1.90 2.63 0.27 1.30 -4.23 -1.26 -4.73 115.64 107.72 3k1y s THR 63 Ca 0.47 0.36 0.01 0.00 -1.18 0.00 0.00 61.69 61.35 3k1y s THR 63 Cb -0.11 -3.05 0.26 0.00 1.34 0.00 0.00 72.50 70.94 3k1y s THR 63 CO 0.23 -0.12 1.75 0.74 -0.54 0.00 0.00 174.62 176.69 3k1y h THR 64 N 0.51 0.68 0.21 3.99 2.02 -1.98 0.46 112.91 118.80 3k1y h THR 64 Ca -0.49 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 66.49 3k1y h THR 64 Cb 1.29 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 3k1y h THR 64 CO 0.54 0.11 -0.32 0.50 0.37 0.00 0.00 175.52 176.71 3k1y h LYS 65 N 0.60 -0.59 -0.86 6.66 3.64 -2.00 -0.78 116.57 123.24 3k1y h LYS 65 Ca 0.50 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 3k1y h LYS 65 Cb 0.76 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 3k1y h LYS 65 CO -0.40 -0.39 0.55 1.25 -2.27 0.00 0.00 179.45 178.19 3k1y h LEU 66 N -0.61 1.01 -0.97 5.20 5.85 -1.66 -2.46 115.31 121.67 3k1y h LEU 66 Ca 0.01 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3k1y h LEU 66 Cb 0.60 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3k1y h LEU 66 CO -0.13 0.75 0.64 -0.08 -0.34 0.00 0.00 178.44 179.28 3k1y h GLU 67 N 1.17 1.28 -0.47 1.25 4.57 -0.50 -1.83 114.58 120.06 3k1y h GLU 67 Ca 0.31 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.33 3k1y h GLU 67 Cb -0.10 -0.29 -0.02 0.00 -0.16 0.00 0.00 28.75 28.19 3k1y h GLU 67 CO -0.06 0.85 -0.05 0.93 -1.18 0.00 0.00 179.01 179.50 3k1y h GLU 68 N 1.32 0.85 -0.03 1.92 5.08 -0.72 -2.11 114.58 120.88 3k1y h GLU 68 Ca 0.36 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3k1y h GLU 68 Cb -0.15 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 3k1y h GLU 68 CO -0.08 0.92 0.02 0.82 -1.00 0.00 0.00 179.01 179.70 3k1y h ILE 69 N 0.70 1.02 -0.07 3.13 5.03 -1.00 -1.57 117.51 124.74 3k1y h ILE 69 Ca 0.13 -0.06 -0.09 0.00 -0.12 0.00 0.00 64.86 64.72 3k1y h ILE 69 Cb 0.57 1.01 -0.01 0.00 -3.03 0.00 0.00 36.82 35.35 3k1y h ILE 69 CO 0.03 0.02 -0.35 0.71 -0.68 0.00 0.00 178.15 177.88 3k1y h THR 70 N 0.03 1.28 -0.39 -0.27 1.35 -1.35 -0.24 112.91 113.31 3k1y h THR 70 Ca 0.01 -1.32 -0.13 0.00 -0.55 0.00 0.00 66.41 64.42 3k1y h THR 70 Cb 0.02 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3k1y h THR 70 CO -0.00 0.39 -0.26 0.28 -0.25 0.00 0.00 175.52 175.68 3k1y h SER 71 N 0.13 0.91 0.08 5.36 0.02 -1.23 -2.17 113.55 116.65 3k1y h SER 71 Ca 0.02 -0.43 -0.10 0.00 -0.84 0.00 0.00 61.79 60.43 3k1y h SER 71 Cb 0.69 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3k1y h SER 71 CO 0.05 1.14 -0.34 0.00 -1.14 0.00 0.00 176.83 176.54 3k1y h ALA 72 N 0.79 1.09 0.07 3.77 0.00 -1.01 -2.85 119.26 121.12 3k1y h ALA 72 Ca 0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3k1y h ALA 72 Cb 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3k1y h ALA 72 CO 0.07 0.57 -0.03 1.25 0.00 0.00 0.00 179.25 181.11 3k1y h LEU 73 N 0.32 -0.08 0.00 0.00 5.85 -0.89 -2.10 115.31 118.40 3k1y h LEU 73 Ca 0.04 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3k1y h LEU 73 Cb 0.75 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3k1y h LEU 73 CO 0.06 0.10 0.00 -1.20 -0.34 0.00 0.00 178.44 177.06 3k1y n SER 74 N -5.05 0.00 -0.00 1.25 7.64 -0.83 -1.79 113.62 114.84 3k1y n SER 74 Ca -0.08 -0.27 0.05 0.00 1.01 0.00 0.00 58.87 59.58 3k1y n SER 74 Cb 0.13 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.19 3k1y n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k1y n ALA 75 N -1.08 3.15 -1.72 -0.43 0.00 -0.96 -5.01 120.51 114.46 3k1y n ALA 75 Ca 0.09 -0.28 -0.34 0.00 0.00 0.00 0.00 53.44 52.90 3k1y n ALA 75 Cb 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 19.45 19.14 3k1y n ALA 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k1y s SER 76 N -2.25 5.68 0.34 0.00 0.01 -0.74 -4.95 113.70 111.79 3k1y s SER 76 Ca 0.02 2.09 0.23 0.00 1.31 0.00 0.00 55.95 59.60 3k1y s SER 76 Cb 0.08 -2.57 0.24 0.00 0.21 0.00 0.00 66.02 63.97 3k1y s SER 76 CO 0.43 -1.25 1.41 0.44 0.41 0.00 0.00 173.24 174.68 3k1y h ASP 77 N 0.97 0.00 -5.28 2.44 3.32 -1.42 -3.47 116.42 112.98 3k1y h ASP 77 Ca -0.49 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.43 3k1y h ASP 77 Cb 1.25 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.66 3k1y h ASP 77 CO 0.57 0.00 -0.45 -0.83 -1.72 0.00 0.00 179.24 176.81 3k1y s GLY 78 N -4.23 0.52 -0.07 2.75 0.00 -0.87 -4.47 107.32 100.95 3k1y s GLY 78 Ca 0.04 -1.01 -0.06 0.00 0.00 0.00 0.00 44.72 43.70 3k1y s GLY 78 CO 0.71 -1.01 0.18 -2.27 0.00 0.00 0.00 173.10 170.71 3k1y s LEU 79 N -2.96 1.14 -0.09 0.66 2.96 0.39 -1.31 118.68 119.46 3k1y s LEU 79 Ca 0.15 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 3k1y s LEU 79 Cb 0.05 0.59 0.02 0.00 0.50 0.00 0.00 46.19 47.35 3k1y s LEU 79 CO -0.03 -0.09 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.11 3k1y s VAL 80 N 0.37 1.22 0.05 1.68 1.01 -0.63 -1.15 120.40 122.95 3k1y s VAL 80 Ca -0.02 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3k1y s VAL 80 Cb -0.04 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3k1y s VAL 80 CO -0.02 0.39 -0.22 0.68 0.00 0.00 0.00 175.10 175.93 3k1y s VAL 81 N 1.05 2.47 0.01 2.92 -7.23 -0.87 -1.31 120.40 117.44 3k1y s VAL 81 Ca -0.07 -1.32 -0.05 0.00 -1.81 0.00 0.00 61.98 58.73 3k1y s VAL 81 Cb -0.15 -2.01 -0.00 0.00 0.56 0.00 0.00 36.38 34.78 3k1y s VAL 81 CO -0.01 0.33 0.09 0.00 -0.31 0.00 0.00 175.10 175.19 3k1y s ALA 82 N -0.88 -0.19 -0.03 1.32 0.00 0.31 -1.52 121.76 120.76 3k1y s ALA 82 Ca 0.13 -0.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.58 3k1y s ALA 82 Cb -0.10 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.18 3k1y s ALA 82 CO 0.04 -0.19 0.55 -0.08 0.00 0.00 0.00 175.76 176.08 3k1y s THR 83 N -1.35 0.02 0.91 0.00 -1.32 -0.51 -2.91 115.64 110.48 3k1y s THR 83 Ca -0.15 -0.17 -0.14 0.00 -1.21 0.00 0.00 61.69 60.03 3k1y s THR 83 Cb -0.08 -0.87 0.17 0.00 -1.51 0.00 0.00 72.50 70.21 3k1y s THR 83 CO 0.01 -0.09 1.26 -2.16 -2.21 0.00 0.00 174.62 171.43 3k1y s PRO 84 N -1.28 1.03 -0.33 7.08 0.04 -1.26 -1.96 135.00 138.31 3k1y s PRO 84 Ca -0.12 -0.34 -0.00 0.00 0.04 0.00 0.00 61.00 60.58 3k1y s PRO 84 Cb -0.02 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.69 3k1y s PRO 84 CO 0.08 -2.15 0.05 0.08 0.04 0.00 0.00 177.00 175.10 3k1y s VAL 85 N -3.76 2.83 -0.16 -0.36 1.01 -1.15 -3.97 120.40 114.84 3k1y s VAL 85 Ca 0.71 -1.77 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 3k1y s VAL 85 Cb -0.06 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3k1y s VAL 85 CO 0.51 -0.34 -0.03 -0.36 0.00 0.00 0.00 175.10 174.88 3k1y s PHE 86 N 1.14 3.03 -1.53 5.22 0.08 -0.95 -4.55 117.98 120.42 3k1y s PHE 86 Ca 0.01 -0.33 -0.06 0.00 0.12 0.00 0.00 56.93 56.67 3k1y s PHE 86 Cb -0.20 -1.98 0.01 0.00 -0.57 0.00 0.00 43.02 40.27 3k1y s PHE 86 CO -0.04 -0.08 0.72 1.63 -0.10 0.00 0.00 175.22 177.36 3k1y n LYS 87 N 3.66 -5.51 -3.03 0.44 4.76 -1.26 -3.14 118.16 114.08 3k1y n LYS 87 Ca -0.17 0.90 -0.20 0.00 -2.87 0.00 0.00 58.31 55.97 3k1y n LYS 87 Cb 0.52 -5.80 0.04 0.00 -1.84 0.00 0.00 35.03 27.95 3k1y n LYS 87 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k1y n ALA 88 N -3.85 -0.91 -3.79 7.82 0.00 -1.26 -4.97 120.51 113.55 3k1y n ALA 88 Ca -0.09 0.28 0.07 0.00 0.00 0.00 0.00 53.44 53.70 3k1y n ALA 88 Cb 0.61 -3.78 0.02 0.00 0.00 0.00 0.00 19.45 16.30 3k1y n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k1y n SER 89 N -2.07 -1.57 -4.73 0.00 2.88 -1.19 -4.90 113.62 102.04 3k1y n SER 89 Ca -0.08 -1.84 -0.30 0.00 -1.33 0.00 0.00 58.87 55.32 3k1y n SER 89 Cb 0.60 2.55 0.12 0.00 -0.75 0.00 0.00 64.21 66.73 3k1y n SER 89 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3k1y s TYR 90 N -2.55 2.33 0.50 0.66 -0.85 -1.26 -2.24 117.35 113.93 3k1y s TYR 90 Ca 0.20 1.44 -0.22 0.00 -0.52 0.00 0.00 57.07 57.97 3k1y s TYR 90 Cb -0.03 -3.13 -0.06 0.00 0.38 0.00 0.00 41.96 39.12 3k1y s TYR 90 CO 0.05 -2.23 1.21 0.99 -1.52 0.00 0.00 175.55 174.05 3k1y s THR 91 N -2.88 2.84 0.11 -3.49 2.01 -1.25 -4.63 115.64 108.35 3k1y s THR 91 Ca 0.63 0.61 -0.20 0.00 0.31 0.00 0.00 61.69 63.03 3k1y s THR 91 Cb -0.18 -3.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.94 3k1y s THR 91 CO 0.57 -0.03 1.76 1.23 -0.69 0.00 0.00 174.62 177.45 3k1y h GLY 92 N 1.70 0.22 0.60 4.40 0.00 -1.93 -0.83 103.07 107.22 3k1y h GLY 92 Ca -0.50 -0.09 0.08 0.00 0.00 0.00 0.00 47.33 46.82 3k1y h GLY 92 CO 0.59 0.08 0.43 -2.00 0.00 0.00 0.00 176.54 175.64 3k1y h LEU 93 N 0.20 0.63 -0.05 3.11 5.85 -1.96 -2.03 115.31 121.06 3k1y h LEU 93 Ca 0.06 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3k1y h LEU 93 Cb -0.01 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3k1y h LEU 93 CO -0.01 0.38 -0.17 0.15 -0.34 0.00 0.00 178.44 178.45 3k1y h PHE 94 N 0.75 -0.43 0.00 1.25 3.57 -1.69 -2.75 116.94 117.65 3k1y h PHE 94 Ca 0.35 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.87 3k1y h PHE 94 Cb 0.27 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3k1y h PHE 94 CO -0.07 -0.24 0.00 1.17 -2.23 0.00 0.00 178.31 176.94 3k1y n LYS 95 N -5.30 0.23 0.00 1.11 3.00 -0.39 -3.41 118.16 113.40 3k1y n LYS 95 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 3k1y n LYS 95 Cb 0.22 -1.38 0.00 0.00 0.00 0.00 0.00 35.03 33.87 3k1y n LYS 95 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3k1y n PHE 97 N 1.69 0.00 0.12 5.64 7.35 -1.04 -1.17 117.46 130.06 3k1y n PHE 97 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 3k1y n PHE 97 Cb 0.12 0.00 0.10 0.00 0.35 0.00 0.00 39.48 40.04 3k1y n PHE 97 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 3k1y h PHE 98 N 0.00 0.00 0.00 -5.13 0.04 -1.85 -3.12 116.94 106.88 3k1y h PHE 98 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 3k1y h PHE 98 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3k1y h PHE 98 CO 0.00 0.67 -0.30 -0.44 -0.60 0.00 0.00 178.31 177.63 3k1y h ASP 99 N 0.00 0.00 1.35 2.17 3.32 -1.46 -2.79 116.42 119.01 3k1y h ASP 99 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3k1y h ASP 99 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3k1y h ASP 99 CO 0.09 0.30 -0.47 0.40 -1.72 0.00 0.00 179.24 177.84 3k1y h ILE 100 N 0.00 0.00 -4.03 0.35 2.04 -1.82 -3.47 117.51 110.58 3k1y h ILE 100 Ca -0.00 -0.82 -0.50 0.00 1.00 0.00 0.00 64.86 64.54 3k1y h ILE 100 Cb 0.65 1.56 0.06 0.00 -0.74 0.00 0.00 36.82 38.35 3k1y h ILE 100 CO 0.04 0.00 0.46 -0.76 0.00 0.00 0.00 178.15 177.89 3k1y s LEU 101 N -5.27 3.93 0.79 1.44 1.43 -1.06 -4.99 118.68 114.95 3k1y s LEU 101 Ca 0.05 2.23 -0.13 0.00 -1.03 0.00 0.00 54.13 55.24 3k1y s LEU 101 Cb 0.09 -4.36 0.07 0.00 0.03 0.00 0.00 46.19 42.03 3k1y s LEU 101 CO 0.71 -0.97 1.20 -1.81 0.23 0.00 0.00 176.35 175.71 3k1y s ASP 102 N -1.53 3.74 0.24 2.29 1.01 -1.26 -4.89 116.67 116.27 3k1y s ASP 102 Ca 0.66 2.34 -0.05 0.00 0.71 0.00 0.00 52.55 56.21 3k1y s ASP 102 Cb -0.26 -2.59 0.42 0.00 1.01 0.00 0.00 42.92 41.51 3k1y s ASP 102 CO 0.31 -2.56 1.76 0.74 0.21 0.00 0.00 175.17 175.63 3k1y h THR 103 N -0.80 0.77 -0.59 -1.27 2.02 -1.97 -1.37 112.91 109.69 3k1y h THR 103 Ca -0.46 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.38 3k1y h THR 103 Cb 1.29 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 67.76 3k1y h THR 103 CO 0.47 0.10 0.18 -0.90 0.37 0.00 0.00 175.52 175.74 3k1y n ASP 104 N -4.90 4.55 0.06 4.18 5.75 -1.26 -4.60 116.55 120.33 3k1y n ASP 104 Ca 0.13 -2.96 -0.00 0.00 -0.01 0.00 0.00 54.79 51.95 3k1y n ASP 104 Cb 0.35 -0.70 0.29 0.00 -1.03 0.00 0.00 41.12 40.03 3k1y n ASP 104 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k1y h ALA 105 N 2.88 1.30 0.00 2.12 0.00 -1.59 -3.30 119.26 120.68 3k1y h ALA 105 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3k1y h ALA 105 Cb 2.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3k1y h ALA 105 CO 0.58 0.47 -0.10 1.28 0.00 0.00 0.00 179.25 181.47 3k1y n LEU 106 N -4.20 1.71 -4.67 0.00 4.77 -1.26 -4.45 117.00 108.90 3k1y n LEU 106 Ca -0.00 -2.38 -0.49 0.00 -0.03 0.00 0.00 56.01 53.11 3k1y n LEU 106 Cb 0.33 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 3k1y n LEU 106 CO 0.40 0.56 1.51 0.41 -1.33 0.00 0.00 177.39 178.93 3k1y n THR 107 N -0.95 0.54 -1.35 -5.08 -1.04 -1.25 -3.94 114.28 101.21 3k1y n THR 107 Ca 0.10 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3k1y n THR 107 Cb 0.60 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 3k1y n THR 107 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3k1y n GLY 108 N 4.55 -2.58 2.87 3.41 0.00 -0.15 -4.95 105.19 108.34 3k1y n GLY 108 Ca 0.24 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 3k1y n GLY 108 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k1y s PRO 110 N -0.30 0.94 0.03 1.61 0.02 -1.26 -4.54 135.00 131.50 3k1y s PRO 110 Ca 0.00 -0.09 0.01 0.00 0.02 0.00 0.00 61.00 60.94 3k1y s PRO 110 Cb 0.00 -1.03 -0.02 0.00 0.02 0.00 0.00 34.50 33.47 3k1y s PRO 110 CO 0.00 -0.16 -0.05 0.99 -0.33 0.00 0.00 177.00 177.45 3k1y s THR 111 N 1.30 0.30 -0.13 0.99 2.01 -0.12 -0.46 115.64 119.53 3k1y s THR 111 Ca -0.05 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 3k1y s THR 111 Cb -0.14 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 3k1y s THR 111 CO -0.02 -0.38 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.78 3k1y s ILE 112 N -1.25 3.23 -0.11 1.82 1.01 -0.30 -1.00 121.20 124.59 3k1y s ILE 112 Ca -0.11 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 3k1y s ILE 112 Cb -0.09 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 3k1y s ILE 112 CO -0.00 0.52 -0.01 0.27 0.00 0.00 0.00 174.94 175.72 3k1y s ILE 113 N 0.31 4.20 -0.00 2.92 -4.36 -1.26 -2.05 121.20 120.95 3k1y s ILE 113 Ca -0.09 -0.28 -0.07 0.00 -0.26 0.00 0.00 60.65 59.95 3k1y s ILE 113 Cb -0.15 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.77 3k1y s ILE 113 CO 0.05 0.57 0.15 0.00 0.24 0.00 0.00 174.94 175.94 3k1y s ALA 114 N -0.47 -0.35 0.27 2.27 0.00 -0.58 -1.35 121.76 121.55 3k1y s ALA 114 Ca 0.08 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3k1y s ALA 114 Cb -0.12 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3k1y s ALA 114 CO 0.02 -0.20 0.21 0.00 0.00 0.00 0.00 175.76 175.79 3k1y s ALA 115 N -1.29 1.55 -0.07 0.00 0.00 -0.77 -1.42 121.76 119.75 3k1y s ALA 115 Ca -0.14 -1.90 -0.29 0.00 0.00 0.00 0.00 51.96 49.64 3k1y s ALA 115 Cb -0.07 1.43 0.07 0.00 0.00 0.00 0.00 23.12 24.54 3k1y s ALA 115 CO 0.02 -0.63 0.65 -0.08 0.00 0.00 0.00 175.76 175.72 3k1y s THR 116 N -3.78 0.00 0.16 0.00 -1.32 -0.83 -1.00 115.64 108.88 3k1y s THR 116 Ca 0.40 -0.04 -0.20 0.00 -1.21 0.00 0.00 61.69 60.64 3k1y s THR 116 Cb 0.05 -0.96 0.07 0.00 -1.51 0.00 0.00 72.50 70.14 3k1y s THR 116 CO 0.20 -0.02 0.94 0.00 -2.21 0.00 0.00 174.62 173.53 3k1y n ALA 117 N 1.17 -2.45 -0.06 11.08 0.00 -0.96 -2.94 120.51 126.35 3k1y n ALA 117 Ca -0.19 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.33 3k1y n ALA 117 Cb 0.57 0.51 0.00 0.00 0.00 0.00 0.00 19.45 20.53 3k1y n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1y n GLY 118 N -0.66 -1.91 1.03 0.00 0.00 -1.26 -2.20 105.19 100.19 3k1y n GLY 118 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 3k1y n GLY 118 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1y n SER 119 N -1.92 0.34 -0.78 1.61 3.41 -1.26 -2.21 113.62 112.81 3k1y n SER 119 Ca 0.00 -1.29 0.07 0.00 -0.26 0.00 0.00 58.87 57.38 3k1y n SER 119 Cb 0.00 -0.18 0.19 0.00 -0.26 0.00 0.00 64.21 63.96 3k1y n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1y n ALA 120 N -2.99 2.24 0.31 7.33 0.00 -1.26 -4.59 120.51 121.55 3k1y n ALA 120 Ca -0.04 -1.20 0.19 0.00 0.00 0.00 0.00 53.44 52.38 3k1y n ALA 120 Cb 0.16 -0.53 1.02 0.00 0.00 0.00 0.00 19.45 20.09 3k1y n ALA 120 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3k1y h ARG 121 N 2.43 0.00 -0.48 0.00 0.11 -2.00 -1.70 114.38 112.75 3k1y h ARG 121 Ca 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 3k1y h ARG 121 Cb 0.80 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.81 3k1y h ARG 121 CO 0.01 0.02 0.09 0.72 0.10 0.00 0.00 179.97 180.91 3k1y n HIS 122 N -3.31 1.62 0.17 4.08 8.25 -1.26 -4.65 115.22 120.12 3k1y n HIS 122 Ca -0.02 -1.13 0.05 0.00 -0.26 0.00 0.00 57.72 56.36 3k1y n HIS 122 Cb 0.13 -0.50 0.51 0.00 1.12 0.00 0.00 29.99 31.25 3k1y n HIS 122 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3k1y h SER 123 N 2.12 0.15 0.00 0.41 4.64 -1.63 -1.78 113.55 117.46 3k1y h SER 123 Ca 0.14 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3k1y h SER 123 Cb 1.86 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 3k1y h SER 123 CO 0.47 0.19 0.00 0.18 -0.87 0.00 0.00 176.83 176.80 3k1y n LEU 124 N -4.43 0.00 0.15 5.97 4.77 -1.26 -1.84 117.00 120.36 3k1y n LEU 124 Ca -0.01 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.00 3k1y n LEU 124 Cb 0.15 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.64 3k1y n LEU 124 CO 0.36 0.00 0.84 1.62 -1.33 0.00 0.00 177.39 178.88 3k1y h VAL 125 N 0.00 1.20 0.61 4.08 3.04 -1.67 -1.78 116.25 121.74 3k1y h VAL 125 Ca 0.00 -0.90 -0.03 0.00 -1.01 0.00 0.00 66.70 64.76 3k1y h VAL 125 Cb 0.00 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 3k1y h VAL 125 CO 0.00 0.27 -0.32 -0.07 -1.01 0.00 0.00 177.57 176.44 3k1y h LEU 126 N 0.13 -0.77 -0.04 3.16 3.38 -1.62 -1.21 115.31 118.34 3k1y h LEU 126 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3k1y h LEU 126 Cb 0.45 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3k1y h LEU 126 CO 0.03 -0.52 0.00 0.47 0.09 0.00 0.00 178.44 178.51 3k1y n ASP 127 N -4.37 0.58 -0.65 -0.43 8.00 -1.21 -0.53 116.55 117.94 3k1y n ASP 127 Ca -0.11 0.56 0.07 0.00 0.71 0.00 0.00 54.79 56.03 3k1y n ASP 127 Cb 0.34 -0.71 0.09 0.00 -0.02 0.00 0.00 41.12 40.82 3k1y n ASP 127 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3k1y n TYR 128 N -2.05 0.12 0.16 1.24 4.01 -0.67 -4.44 117.16 115.54 3k1y n TYR 128 Ca 0.06 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3k1y n TYR 128 Cb 0.39 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 3k1y n TYR 128 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k1y n ALA 129 N 0.84 2.64 -0.11 -0.72 0.00 -0.49 -4.83 120.51 117.84 3k1y n ALA 129 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 3k1y n ALA 129 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 3k1y n ALA 129 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3k1y h LEU 130 N 0.00 0.97 -0.23 0.00 4.07 -1.27 -2.40 115.31 116.44 3k1y h LEU 130 Ca 0.00 -0.48 -0.01 0.00 0.08 0.00 0.00 57.88 57.47 3k1y h LEU 130 Cb 0.00 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 3k1y h LEU 130 CO 0.00 1.25 0.09 -0.09 -1.08 0.00 0.00 178.44 178.62 3k1y h ARG 131 N 0.70 0.34 0.00 1.13 2.43 -1.07 -0.01 114.38 117.91 3k1y h ARG 131 Ca 0.05 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3k1y h ARG 131 Cb 1.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 3k1y h ARG 131 CO 0.10 0.39 -0.22 -1.35 -1.51 0.00 0.00 179.97 177.37 3k1y h PRO 132 N 0.22 0.00 0.38 0.20 0.11 -1.77 0.95 132.00 132.10 3k1y h PRO 132 Ca 0.08 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 3k1y h PRO 132 Cb 0.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.28 3k1y h PRO 132 CO -0.01 0.22 -0.18 1.25 -0.21 0.00 0.00 178.00 179.07 3k1y h LEU 133 N 0.00 -0.44 -2.40 2.35 5.85 -0.88 -1.86 115.31 117.93 3k1y h LEU 133 Ca -0.00 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3k1y h LEU 133 Cb 0.39 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3k1y h LEU 133 CO 0.03 -0.20 0.02 -0.07 -0.34 0.00 0.00 178.44 177.88 3k1y h LEU 134 N -0.75 0.00 -0.19 2.25 -0.00 -0.96 -1.50 115.31 114.16 3k1y h LEU 134 Ca -0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.62 3k1y h LEU 134 Cb 0.39 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.06 3k1y h LEU 134 CO 0.09 0.00 -0.70 0.28 -0.00 0.00 0.00 178.44 178.11 3k1y h SER 135 N 0.00 0.94 0.00 -0.43 0.02 -0.81 -1.30 113.55 111.97 3k1y h SER 135 Ca 0.01 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3k1y h SER 135 Cb 0.05 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.31 3k1y h SER 135 CO -0.00 1.39 0.00 0.00 -1.14 0.00 0.00 176.83 177.08 3k1y n TYR 136 N -3.98 0.00 -2.18 3.45 9.36 -0.57 -4.26 117.16 118.99 3k1y n TYR 136 Ca -0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.16 3k1y n TYR 136 Cb 0.70 -0.13 -0.00 0.00 -0.63 0.00 0.00 39.34 39.28 3k1y n TYR 136 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3k1y n ARG 138 N 1.27 0.00 -2.97 2.98 1.74 -1.17 -5.11 116.66 113.40 3k1y n ARG 138 Ca 0.00 -1.21 -0.38 0.00 -0.77 0.00 0.00 57.85 55.50 3k1y n ARG 138 Cb 0.00 -0.08 -0.06 0.00 -1.02 0.00 0.00 32.46 31.30 3k1y n ARG 138 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k1y s ALA 139 N 0.00 3.38 -0.42 7.54 0.00 -0.50 -0.97 121.76 130.79 3k1y s ALA 139 Ca 0.12 0.33 -0.21 0.00 0.00 0.00 0.00 51.96 52.20 3k1y s ALA 139 Cb 0.14 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.31 3k1y s ALA 139 CO -0.06 0.28 0.68 0.54 0.00 0.00 0.00 175.76 177.20 3k1y s VAL 140 N -1.40 4.80 -0.24 0.00 0.11 -1.26 -4.47 120.40 117.94 3k1y s VAL 140 Ca 0.42 0.34 -0.17 0.00 -2.93 0.00 0.00 61.98 59.64 3k1y s VAL 140 Cb -0.20 -4.20 -0.03 0.00 -1.53 0.00 0.00 36.38 30.42 3k1y s VAL 140 CO 0.24 -0.55 0.45 -0.69 -3.33 0.00 0.00 175.10 171.22 3k1y s VAL 141 N 2.92 5.13 0.51 2.04 1.01 -1.26 -0.94 120.40 129.81 3k1y s VAL 141 Ca 0.25 0.77 -0.22 0.00 0.00 0.00 0.00 61.98 62.79 3k1y s VAL 141 Cb -0.14 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 3k1y s VAL 141 CO 0.19 0.16 1.07 1.33 0.00 0.00 0.00 175.10 177.85 3k1y n VAL 142 N 4.86 3.14 -0.20 2.92 0.24 -0.17 -4.85 118.33 124.25 3k1y n VAL 142 Ca -0.06 -0.50 0.17 0.00 -2.04 0.00 0.00 64.34 61.90 3k1y n VAL 142 Cb 0.50 -1.28 0.50 0.00 -1.47 0.00 0.00 33.84 32.09 3k1y n VAL 142 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3k1y h PRO 143 N 1.18 0.41 -5.54 7.34 0.11 -1.96 -3.38 132.00 130.17 3k1y h PRO 143 Ca -0.47 -0.02 -0.62 0.00 0.11 0.00 0.00 66.00 64.99 3k1y h PRO 143 Cb 1.34 -0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 3k1y h PRO 143 CO 0.55 0.27 0.69 0.99 -0.21 0.00 0.00 178.00 180.29 3k1y s THR 144 N -5.42 4.28 0.39 -1.15 2.01 -1.26 -5.02 115.64 109.47 3k1y s THR 144 Ca -0.08 -0.45 -0.20 0.00 0.31 0.00 0.00 61.69 61.27 3k1y s THR 144 Cb 0.22 -4.75 -0.10 0.00 0.01 0.00 0.00 72.50 67.88 3k1y s THR 144 CO 0.77 -1.54 0.90 -0.83 -0.69 0.00 0.00 174.62 173.23 3k1y s GLY 145 N 3.75 2.43 -0.34 4.40 0.00 -1.26 -4.72 107.32 111.58 3k1y s GLY 145 Ca 0.26 0.34 -0.02 0.00 0.00 0.00 0.00 44.72 45.30 3k1y s GLY 145 CO 0.07 0.62 0.08 0.14 0.00 0.00 0.00 173.10 174.01 3k1y s VAL 146 N -2.07 3.13 -0.41 1.40 1.01 -0.46 -5.03 120.40 117.97 3k1y s VAL 146 Ca 0.59 -1.64 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 3k1y s VAL 146 Cb -0.10 -2.94 0.07 0.00 0.00 0.00 0.00 36.38 33.41 3k1y s VAL 146 CO 0.15 -0.34 0.26 0.12 0.00 0.00 0.00 175.10 175.29 3k1y s PHE 147 N 1.21 3.31 -0.52 5.22 5.36 -1.26 -1.86 117.98 129.45 3k1y s PHE 147 Ca 0.00 -1.39 -0.24 0.00 -0.96 0.00 0.00 56.93 54.34 3k1y s PHE 147 Cb -0.21 -2.88 0.04 0.00 -0.34 0.00 0.00 43.02 39.63 3k1y s PHE 147 CO -0.02 -0.81 0.91 0.00 -1.46 0.00 0.00 175.22 173.84 3k1y s ALA 148 N 1.46 3.20 -0.49 11.12 0.00 -0.17 -4.97 121.76 131.91 3k1y s ALA 148 Ca 0.03 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 3k1y s ALA 148 Cb -0.22 -3.68 0.07 0.00 0.00 0.00 0.00 23.12 19.29 3k1y s ALA 148 CO 0.03 -2.25 0.50 0.00 0.00 0.00 0.00 175.76 174.05 3k1y s ALA 149 N 3.80 3.50 0.52 0.00 0.00 -1.26 -2.27 121.76 126.05 3k1y s ALA 149 Ca 0.32 -2.01 0.24 0.00 0.00 0.00 0.00 51.96 50.50 3k1y s ALA 149 Cb -0.12 -3.21 1.37 0.00 0.00 0.00 0.00 23.12 21.16 3k1y s ALA 149 CO 0.21 -1.88 2.01 1.15 0.00 0.00 0.00 175.76 177.25 3k1y h THR 150 N 5.81 0.77 0.00 0.00 2.02 -1.40 -0.34 112.91 119.76 3k1y h THR 150 Ca -0.28 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3k1y h THR 150 Cb 1.10 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3k1y h THR 150 CO 0.93 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 176.49 3k1y h GLU 151 N 0.02 0.00 -0.55 6.66 5.08 -1.68 -3.07 114.58 121.04 3k1y h GLU 151 Ca 0.23 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.24 3k1y h GLU 151 Cb 0.89 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.92 3k1y h GLU 151 CO -0.01 0.00 -0.19 -0.25 -1.00 0.00 0.00 179.01 177.57 3k1y n ASP 152 N -2.49 3.89 -4.90 1.42 8.00 -0.14 -5.02 116.55 117.31 3k1y n ASP 152 Ca 0.00 -3.79 -0.30 0.00 0.71 0.00 0.00 54.79 51.42 3k1y n ASP 152 Cb 0.18 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.65 3k1y n ASP 152 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3k1y s PHE 153 N -3.44 3.47 0.00 1.24 0.40 -1.16 -3.86 117.98 114.63 3k1y s PHE 153 Ca 0.49 0.60 0.00 0.00 -0.60 0.00 0.00 56.93 57.42 3k1y s PHE 153 Cb 0.42 -2.06 0.00 0.00 0.51 0.00 0.00 43.02 41.90 3k1y s PHE 153 CO 0.00 0.29 0.00 0.41 0.70 0.00 0.00 175.22 176.62 3k1y n GLY 154 N -0.52 -1.28 6.11 4.36 0.00 -1.26 -4.78 105.19 107.81 3k1y n GLY 154 Ca -0.02 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3k1y n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1y n GLY 155 N -0.18 -2.02 0.41 -0.02 0.00 -1.26 -3.50 105.19 98.62 3k1y n GLY 155 Ca 0.00 -1.40 0.23 0.00 0.00 0.00 0.00 46.02 44.85 3k1y n GLY 155 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k1y h PRO 156 N 0.00 0.36 -0.34 1.61 0.11 -1.98 -0.98 132.00 130.79 3k1y h PRO 156 Ca 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3k1y h PRO 156 Cb 0.02 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3k1y h PRO 156 CO 0.00 0.24 0.08 0.93 -0.21 0.00 0.00 178.00 179.04 3k1y h GLU 157 N 0.37 0.55 -0.71 1.05 5.08 -1.86 -0.62 114.58 118.44 3k1y h GLU 157 Ca 0.59 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.76 3k1y h GLU 157 Cb 1.53 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 3k1y h GLU 157 CO -0.28 0.60 0.22 0.78 -1.00 0.00 0.00 179.01 179.33 3k1y h GLY 158 N 0.40 1.19 0.97 -3.84 0.00 -1.24 0.46 103.07 101.02 3k1y h GLY 158 Ca 0.11 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 3k1y h GLY 158 CO 0.00 0.67 0.24 0.00 0.00 0.00 0.00 176.54 177.44 3k1y h ALA 159 N 1.10 0.56 -0.73 3.60 0.00 -1.29 0.53 119.26 123.04 3k1y h ALA 159 Ca 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3k1y h ALA 159 Cb 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3k1y h ALA 159 CO -0.01 0.09 0.33 0.93 0.00 0.00 0.00 179.25 180.59 3k1y h GLU 160 N 0.57 1.06 0.11 0.00 4.39 -0.68 -0.82 114.58 119.22 3k1y h GLU 160 Ca 0.15 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3k1y h GLU 160 Cb 0.06 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3k1y h GLU 160 CO -0.02 0.85 -0.05 0.35 -1.16 0.00 0.00 179.01 178.97 3k1y h PHE 161 N 1.03 -0.14 -0.05 4.33 3.57 0.50 -0.69 116.94 125.49 3k1y h PHE 161 Ca 0.25 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.76 3k1y h PHE 161 Cb 0.15 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3k1y h PHE 161 CO 0.01 0.12 0.06 -0.91 -2.23 0.00 0.00 178.31 175.36 3k1y h ASN 162 N -0.40 0.00 0.22 0.41 2.35 0.19 0.72 115.58 119.07 3k1y h ASN 162 Ca -0.02 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.51 3k1y h ASN 162 Cb 0.33 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.70 3k1y h ASN 162 CO 0.03 0.00 -0.91 0.50 -1.65 0.00 0.00 177.43 175.40 3k1y h LYS 163 N 0.00 0.50 -0.05 0.81 1.63 -0.64 -2.76 116.57 116.06 3k1y h LYS 163 Ca 0.02 -0.50 -0.14 0.00 -0.85 0.00 0.00 60.65 59.18 3k1y h LYS 163 Cb 0.13 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 3k1y h LYS 163 CO -0.00 1.14 -0.61 -0.09 -3.45 0.00 0.00 179.45 176.44 3k1y h ARG 164 N 0.30 0.16 -0.73 1.90 2.43 0.60 -2.38 114.38 116.66 3k1y h ARG 164 Ca -0.08 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 3k1y h ARG 164 Cb 1.54 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.07 3k1y h ARG 164 CO 0.16 0.72 0.24 0.82 -1.51 0.00 0.00 179.97 180.40 3k1y h ILE 165 N 0.12 1.26 -0.24 1.20 2.04 -1.07 -2.45 117.51 118.37 3k1y h ILE 165 Ca -0.01 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3k1y h ILE 165 Cb 1.10 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3k1y h ILE 165 CO 0.09 0.35 0.15 0.00 0.00 0.00 0.00 178.15 178.74 3k1y h ALA 166 N 1.17 0.31 -0.16 1.87 0.00 -1.17 -1.14 119.26 120.14 3k1y h ALA 166 Ca 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3k1y h ALA 166 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3k1y h ALA 166 CO -0.01 -0.20 0.08 -0.09 0.00 0.00 0.00 179.25 179.03 3k1y h ARG 167 N 0.31 0.17 -0.25 0.00 2.43 -1.25 0.14 114.38 115.93 3k1y h ARG 167 Ca 0.09 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3k1y h ARG 167 Cb -0.00 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3k1y h ARG 167 CO -0.02 0.11 -0.01 0.00 -1.51 0.00 0.00 179.97 178.54 3k1y h ALA 168 N 1.08 0.22 -0.85 2.80 0.00 -1.33 0.69 119.26 121.87 3k1y h ALA 168 Ca 0.06 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3k1y h ALA 168 Cb 0.01 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3k1y h ALA 168 CO -0.04 -0.43 0.57 0.00 0.00 0.00 0.00 179.25 179.35 3k1y h ALA 169 N 1.22 1.41 -0.25 0.00 0.00 -0.75 -0.56 119.26 120.33 3k1y h ALA 169 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3k1y h ALA 169 Cb 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3k1y h ALA 169 CO -0.21 0.54 0.08 0.78 0.00 0.00 0.00 179.25 180.43 3k1y h GLY 170 N 1.13 0.42 0.62 0.00 0.00 0.17 0.28 103.07 105.70 3k1y h GLY 170 Ca 0.32 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.45 3k1y h GLY 170 CO -0.08 0.23 0.12 0.83 0.00 0.00 0.00 176.54 177.65 3k1y h GLU 171 N 0.24 0.27 -0.14 4.80 5.08 -0.01 0.90 114.58 125.71 3k1y h GLU 171 Ca 0.08 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3k1y h GLU 171 Cb 0.24 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3k1y h GLU 171 CO -0.00 0.18 -0.11 1.25 -1.00 0.00 0.00 179.01 179.33 3k1y h LEU 172 N 0.28 0.34 -0.53 1.33 5.85 -1.04 -2.99 115.31 118.54 3k1y h LEU 172 Ca 0.18 -0.45 0.10 0.00 0.84 0.00 0.00 57.88 58.56 3k1y h LEU 172 Cb 0.18 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 3k1y h LEU 172 CO -0.20 0.72 0.01 0.00 -0.34 0.00 0.00 178.44 178.63 3k1y h ALA 173 N 0.63 0.52 -0.48 1.25 0.00 -0.01 -0.16 119.26 121.00 3k1y h ALA 173 Ca 0.03 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3k1y h ALA 173 Cb 0.61 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3k1y h ALA 173 CO 0.03 -0.38 0.20 0.77 0.00 0.00 0.00 179.25 179.87 3k1y h SER 174 N 0.13 0.23 0.27 0.00 0.02 -0.82 -1.84 113.55 111.54 3k1y h SER 174 Ca 0.27 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.21 3k1y h SER 174 Cb 0.41 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3k1y h SER 174 CO -0.43 0.17 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.09 3k1y h LEU 175 N 0.39 0.00 -0.02 5.07 4.07 -1.09 -2.57 115.31 121.16 3k1y h LEU 175 Ca 0.22 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 58.04 3k1y h LEU 175 Cb 0.20 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.95 3k1y h LEU 175 CO -0.21 0.26 -0.55 0.40 -1.08 0.00 0.00 178.44 177.27 3k1y h ILE 176 N 0.00 1.43 0.00 1.22 2.04 -0.29 -3.26 117.51 118.65 3k1y h ILE 176 Ca -0.00 -2.01 -0.05 0.00 1.00 0.00 0.00 64.86 63.80 3k1y h ILE 176 Cb 0.47 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 3k1y h ILE 176 CO 0.03 0.58 -0.24 -0.37 0.00 0.00 0.00 178.15 178.16 3k1y h VAL 177 N -0.10 0.54 0.00 1.67 -1.51 -1.37 -2.91 116.25 112.57 3k1y h VAL 177 Ca -0.06 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 3k1y h VAL 177 Cb 1.25 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 32.24 3k1y h VAL 177 CO 0.11 0.23 0.00 -0.08 -1.23 0.00 0.00 177.57 176.60 3k1y h GLU 178 N 0.00 0.00 -6.96 5.19 4.81 -1.52 -3.45 114.58 112.65 3k1y h GLU 178 Ca -0.00 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.70 3k1y h GLU 178 Cb 0.81 0.00 0.08 0.00 0.63 0.00 0.00 28.75 30.27 3k1y h GLU 178 CO 0.03 0.00 0.59 -1.21 -0.73 0.00 0.00 179.01 177.69 3k1y s GLU 179 N -3.43 3.91 0.00 1.92 2.02 -1.10 -5.10 118.70 116.92 3k1y s GLU 179 Ca 0.04 2.09 0.09 0.00 0.02 0.00 0.00 54.97 57.22 3k1y s GLU 179 Cb 0.09 -2.69 0.07 0.00 0.10 0.00 0.00 34.13 31.70 3k1y s GLU 179 CO 0.53 -0.52 0.79 0.45 0.02 0.00 0.00 175.26 176.53