#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7k s SER 3 N 0.00 4.45 0.11 2.55 1.04 -1.26 -4.95 113.70 115.65 1n7k s SER 3 Ca 0.00 -0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.09 1n7k s SER 3 Cb 0.00 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 1n7k s SER 3 CO 0.00 -1.78 1.61 0.00 0.98 0.00 0.00 173.24 174.05 1n7k h ALA 4 N -0.52 0.44 -1.01 5.32 0.00 -2.05 -2.50 119.26 118.94 1n7k h ALA 4 Ca -0.39 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.41 1n7k h ALA 4 Cb 1.27 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1n7k h ALA 4 CO 0.44 0.11 0.65 0.00 0.00 0.00 0.00 179.25 180.46 1n7k h ARG 5 N 0.39 1.14 -0.18 0.00 3.08 -2.00 -2.28 114.38 114.54 1n7k h ARG 5 Ca 0.11 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.11 1n7k h ARG 5 Cb 0.30 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1n7k h ARG 5 CO 0.00 0.76 0.00 -0.44 -1.07 0.00 0.00 179.97 179.22 1n7k h ASP 6 N 1.18 -0.06 -0.52 7.04 3.32 -1.83 -0.19 116.42 125.37 1n7k h ASP 6 Ca 0.44 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.45 1n7k h ASP 6 Cb 0.18 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1n7k h ASP 6 CO -0.18 -0.00 0.07 0.16 -1.72 0.00 0.00 179.24 177.57 1n7k h ILE 7 N 0.06 1.25 -0.23 0.35 3.07 -1.13 -0.44 117.51 120.45 1n7k h ILE 7 Ca 0.08 -0.97 -0.05 0.00 1.55 0.00 0.00 64.86 65.47 1n7k h ILE 7 Cb 0.10 0.74 -0.01 0.00 -0.27 0.00 0.00 36.82 37.38 1n7k h ILE 7 CO -0.13 0.36 -0.04 -0.07 -1.05 0.00 0.00 178.15 177.21 1n7k h LEU 8 N 0.86 0.43 -0.46 0.16 3.38 -1.16 -1.99 115.31 116.54 1n7k h LEU 8 Ca 0.17 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1n7k h LEU 8 Cb 0.41 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1n7k h LEU 8 CO 0.01 0.69 0.19 -0.61 0.09 0.00 0.00 178.44 178.81 1n7k h GLN 9 N 0.17 0.69 -0.98 1.13 5.75 -0.91 -1.77 115.11 119.19 1n7k h GLN 9 Ca 0.06 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1n7k h GLN 9 Cb 0.49 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.88 1n7k h GLN 9 CO 0.02 0.62 0.63 1.96 -2.65 0.00 0.00 178.83 179.41 1n7k h GLN 10 N 0.61 1.30 -0.54 1.69 4.20 -1.05 0.52 115.11 121.83 1n7k h GLN 10 Ca 0.15 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 1n7k h GLN 10 Cb 0.18 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1n7k h GLN 10 CO -0.01 0.87 0.21 0.78 -0.67 0.00 0.00 178.83 180.01 1n7k h GLY 11 N 1.33 0.87 1.28 3.46 0.00 -1.07 -2.41 103.07 106.53 1n7k h GLY 11 Ca 0.36 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1n7k h GLY 11 CO -0.07 0.45 0.04 1.41 0.00 0.00 0.00 176.54 178.36 1n7k h LEU 12 N 0.74 0.84 -1.37 3.11 3.38 -0.71 -1.21 115.31 120.09 1n7k h LEU 12 Ca 0.18 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1n7k h LEU 12 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1n7k h LEU 12 CO -0.01 0.88 -0.05 0.44 0.09 0.00 0.00 178.44 179.79 1n7k h ASP 13 N 0.82 0.33 0.52 -0.43 3.32 -0.64 -3.23 116.42 117.11 1n7k h ASP 13 Ca 0.16 -0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.95 1n7k h ASP 13 Cb 0.44 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 1n7k h ASP 13 CO 0.02 0.43 -1.64 0.54 -1.72 0.00 0.00 179.24 176.87 1n7k n ARG 14 N -4.30 0.63 -3.74 3.56 1.74 -0.93 -4.65 116.66 108.97 1n7k n ARG 14 Ca 0.00 0.18 -0.33 0.00 -0.77 0.00 0.00 57.85 56.93 1n7k n ARG 14 Cb 0.24 -1.75 -0.09 0.00 -1.02 0.00 0.00 32.46 29.84 1n7k n ARG 14 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1n7k s LEU 15 N -5.71 5.26 0.12 0.55 1.02 -0.48 -4.87 118.68 114.56 1n7k s LEU 15 Ca -0.04 -3.68 0.08 0.00 0.02 0.00 0.00 54.13 50.50 1n7k s LEU 15 Cb 0.09 -1.81 -0.19 0.00 0.02 0.00 0.00 46.19 44.30 1n7k s LEU 15 CO 0.82 -0.17 1.23 1.23 0.02 0.00 0.00 176.35 179.49 1n7k h GLY 16 N 5.90 0.00 -2.68 -3.19 0.00 -1.83 -3.45 103.07 97.82 1n7k h GLY 16 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.18 1n7k h GLY 16 CO 0.80 0.00 -0.66 -1.35 0.00 0.00 0.00 176.54 175.33 1n7k s SER 17 N -6.63 1.13 0.36 0.19 1.04 -1.26 -5.03 113.70 103.49 1n7k s SER 17 Ca 0.01 -1.20 0.03 0.00 0.48 0.00 0.00 55.95 55.27 1n7k s SER 17 Cb 0.10 0.14 0.66 0.00 0.10 0.00 0.00 66.02 67.02 1n7k s SER 17 CO 0.81 -0.60 1.99 -0.65 0.98 0.00 0.00 173.24 175.78 1n7k h PRO 18 N 2.68 0.73 -0.80 4.02 0.11 -1.97 -1.52 132.00 135.24 1n7k h PRO 18 Ca -0.37 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1n7k h PRO 18 Cb 1.21 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1n7k h PRO 18 CO 0.62 0.52 0.37 0.93 -0.21 0.00 0.00 178.00 180.23 1n7k h GLU 19 N 0.74 1.16 -0.19 1.05 3.07 -1.96 0.19 114.58 118.65 1n7k h GLU 19 Ca 0.19 -0.18 0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1n7k h GLU 19 Cb -0.01 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.67 1n7k h GLU 19 CO -0.04 0.91 0.04 -0.44 -1.40 0.00 0.00 179.01 178.09 1n7k h ASP 20 N 1.15 0.02 0.27 1.42 3.32 -1.67 -0.69 116.42 120.24 1n7k h ASP 20 Ca 0.27 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1n7k h ASP 20 Cb 0.14 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1n7k h ASP 20 CO -0.03 0.04 -0.13 0.25 -1.72 0.00 0.00 179.24 177.65 1n7k h LEU 21 N 0.12 -0.31 -0.86 1.55 5.85 -1.13 -3.02 115.31 117.50 1n7k h LEU 21 Ca 0.09 -0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.90 1n7k h LEU 21 Cb 0.07 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.08 1n7k h LEU 21 CO -0.11 -0.11 0.42 0.00 -0.34 0.00 0.00 178.44 178.30 1n7k h ALA 22 N 0.19 1.33 0.00 1.25 0.00 -0.47 0.13 119.26 121.68 1n7k h ALA 22 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1n7k h ALA 22 Cb 0.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1n7k h ALA 22 CO 0.06 -0.18 0.00 0.77 0.00 0.00 0.00 179.25 179.90 1n7k h SER 23 N 0.54 0.00 0.01 0.00 0.02 -1.00 -2.29 113.55 110.83 1n7k h SER 23 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1n7k h SER 23 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1n7k h SER 23 CO -0.42 0.00 -0.68 0.54 -1.14 0.00 0.00 176.83 175.13 1n7k n ARG 24 N -2.99 0.68 -3.10 3.45 1.74 0.01 -3.96 116.66 112.49 1n7k n ARG 24 Ca -0.02 -0.55 -0.40 0.00 -0.77 0.00 0.00 57.85 56.11 1n7k n ARG 24 Cb 0.14 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.03 1n7k n ARG 24 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1n7k s ILE 25 N -2.70 5.00 -0.73 0.55 1.09 -0.88 -0.30 121.20 123.22 1n7k s ILE 25 Ca 0.14 1.19 -0.19 0.00 -1.10 0.00 0.00 60.65 60.70 1n7k s ILE 25 Cb 0.17 -3.95 0.12 0.00 -1.06 0.00 0.00 42.46 37.74 1n7k s ILE 25 CO 0.69 0.07 0.89 -1.81 -0.10 0.00 0.00 174.94 174.69 1n7k s ASP 26 N 1.30 6.38 -0.03 3.58 1.11 0.13 -0.34 116.67 128.79 1n7k s ASP 26 Ca 0.28 -1.65 -0.30 0.00 0.18 0.00 0.00 52.55 51.06 1n7k s ASP 26 Cb -0.16 -2.35 -0.07 0.00 1.07 0.00 0.00 42.92 41.42 1n7k s ASP 26 CO 0.10 -1.11 1.78 -0.55 1.18 0.00 0.00 175.17 176.56 1n7k s SER 27 N 3.49 6.55 0.11 0.27 0.15 0.15 -3.12 113.70 121.30 1n7k s SER 27 Ca 0.21 2.36 0.08 0.00 0.70 0.00 0.00 55.95 59.29 1n7k s SER 27 Cb -0.15 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 1n7k s SER 27 CO 0.01 -1.01 -0.13 -0.89 1.20 0.00 0.00 173.24 172.41 1n7k s THR 28 N 4.35 3.15 -0.26 6.45 2.01 -0.24 -0.46 115.64 130.64 1n7k s THR 28 Ca 0.79 -1.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 1n7k s THR 28 Cb -0.36 -2.46 0.14 0.00 0.01 0.00 0.00 72.50 69.82 1n7k s THR 28 CO 0.34 0.11 0.35 -0.22 -0.69 0.00 0.00 174.62 174.51 1n7k s LEU 29 N -2.16 -0.52 -0.34 4.42 2.96 -0.92 -4.16 118.68 117.97 1n7k s LEU 29 Ca 0.20 -0.19 0.16 0.00 -0.22 0.00 0.00 54.13 54.07 1n7k s LEU 29 Cb -0.11 0.89 0.44 0.00 0.50 0.00 0.00 46.19 47.91 1n7k s LEU 29 CO 0.12 -0.34 0.92 0.18 -1.32 0.00 0.00 176.35 175.92 1n7k n LEU 30 N 5.34 1.63 -4.73 -0.68 4.77 -1.26 -4.24 117.00 117.83 1n7k n LEU 30 Ca -0.02 -4.08 -0.31 0.00 -0.03 0.00 0.00 56.01 51.56 1n7k n LEU 30 Cb 0.49 0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.90 1n7k n LEU 30 CO 0.03 1.75 -0.29 -0.55 -1.33 0.00 0.00 177.39 177.00 1n7k s SER 31 N -3.04 5.33 0.38 -1.43 0.15 -1.26 -4.99 113.70 108.85 1n7k s SER 31 Ca 0.31 -0.02 0.28 0.00 0.70 0.00 0.00 55.95 57.22 1n7k s SER 31 Cb 0.43 -1.40 1.26 0.00 -1.71 0.00 0.00 66.02 64.61 1n7k s SER 31 CO -0.00 0.22 1.84 -0.65 1.20 0.00 0.00 173.24 175.84 1n7k h PRO 32 N 3.73 0.00 0.00 5.44 0.11 -2.06 -2.30 132.00 136.92 1n7k h PRO 32 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1n7k h PRO 32 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1n7k h PRO 32 CO 0.62 0.00 -1.11 0.54 -0.21 0.00 0.00 178.00 177.83 1n7k n ARG 33 N -2.53 0.28 -1.67 1.05 1.74 -1.26 -4.97 116.66 109.29 1n7k n ARG 33 Ca 0.01 -0.02 -0.46 0.00 -0.77 0.00 0.00 57.85 56.60 1n7k n ARG 33 Cb 0.19 -1.57 -0.04 0.00 -1.02 0.00 0.00 32.46 30.02 1n7k n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n7k n ALA 34 N -1.82 1.38 -2.27 7.54 0.00 -0.87 -5.00 120.51 119.47 1n7k n ALA 34 Ca 0.02 0.43 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 1n7k n ALA 34 Cb 0.43 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 1n7k n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1n7k s THR 35 N 1.18 2.41 0.30 0.00 -4.23 -1.26 -5.00 115.64 109.04 1n7k s THR 35 Ca 0.80 -1.41 -0.01 0.00 -1.18 0.00 0.00 61.69 59.89 1n7k s THR 35 Cb -0.67 -2.82 0.26 0.00 1.34 0.00 0.00 72.50 70.61 1n7k s THR 35 CO 0.39 0.00 1.97 -0.33 -0.54 0.00 0.00 174.62 176.10 1n7k h GLU 36 N 1.00 1.06 -0.57 3.99 4.39 -1.99 -1.74 114.58 120.72 1n7k h GLU 36 Ca -0.40 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 1n7k h GLU 36 Cb 1.27 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 1n7k h GLU 36 CO 0.59 0.70 0.35 1.49 -1.16 0.00 0.00 179.01 180.97 1n7k h GLU 37 N 1.09 0.77 -0.78 2.33 4.57 -1.99 -0.31 114.58 120.26 1n7k h GLU 37 Ca 0.31 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 1n7k h GLU 37 Cb -0.09 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.30 1n7k h GLU 37 CO -0.07 0.55 0.46 -0.44 -1.18 0.00 0.00 179.01 178.33 1n7k h ASP 38 N 0.77 0.95 -0.53 1.04 3.32 -1.76 -1.57 116.42 118.63 1n7k h ASP 38 Ca 0.20 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1n7k h ASP 38 Cb -0.02 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1n7k h ASP 38 CO -0.04 0.74 0.25 0.58 -1.72 0.00 0.00 179.24 179.05 1n7k h VAL 39 N 1.07 1.20 -0.54 -1.35 2.07 -0.74 0.16 116.25 118.13 1n7k h VAL 39 Ca 0.28 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1n7k h VAL 39 Cb -0.02 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1n7k h VAL 39 CO -0.05 0.23 0.33 0.03 0.02 0.00 0.00 177.57 178.13 1n7k h ARG 40 N 0.71 0.64 -0.74 1.57 3.08 -0.71 -1.80 114.38 117.14 1n7k h ARG 40 Ca 0.18 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1n7k h ARG 40 Cb 0.13 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1n7k h ARG 40 CO -0.02 0.43 0.38 -0.91 -1.07 0.00 0.00 179.97 178.78 1n7k h ASN 41 N 0.66 0.93 0.07 7.04 -0.26 -0.90 -0.85 115.58 122.28 1n7k h ASN 41 Ca 0.21 -0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1n7k h ASN 41 Cb -0.00 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.02 1n7k h ASN 41 CO -0.08 0.77 -0.04 0.25 -1.06 0.00 0.00 177.43 177.27 1n7k h LEU 42 N 1.04 -0.10 -0.31 1.61 5.85 -0.20 -1.24 115.31 121.96 1n7k h LEU 42 Ca 0.26 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1n7k h LEU 42 Cb 0.06 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1n7k h LEU 42 CO -0.04 -0.07 0.05 0.58 -0.34 0.00 0.00 178.44 178.63 1n7k h VAL 43 N -0.11 1.23 -0.40 1.05 2.07 -1.11 -1.19 116.25 117.80 1n7k h VAL 43 Ca -0.01 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1n7k h VAL 43 Cb 0.09 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1n7k h VAL 43 CO 0.01 0.26 0.20 0.03 0.02 0.00 0.00 177.57 178.10 1n7k h ARG 44 N 0.34 0.40 -0.01 1.57 3.08 -1.10 -2.12 114.38 116.54 1n7k h ARG 44 Ca 0.09 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 1n7k h ARG 44 Cb 0.34 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1n7k h ARG 44 CO 0.01 0.27 -0.36 0.93 -1.07 0.00 0.00 179.97 179.74 1n7k h GLU 45 N 0.41 0.01 -0.84 0.04 5.08 -1.12 -0.11 114.58 118.05 1n7k h GLU 45 Ca 0.17 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1n7k h GLU 45 Cb 0.07 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1n7k h GLU 45 CO -0.12 0.37 0.41 0.00 -1.00 0.00 0.00 179.01 178.67 1n7k h ALA 46 N 1.63 1.08 -0.14 3.43 0.00 -0.57 0.38 119.26 125.06 1n7k h ALA 46 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1n7k h ALA 46 Cb 0.65 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1n7k h ALA 46 CO 0.05 0.65 -0.19 1.03 0.00 0.00 0.00 179.25 180.78 1n7k h SER 47 N 1.19 0.41 -0.98 0.00 0.87 -0.91 -0.17 113.55 113.97 1n7k h SER 47 Ca 0.29 -0.52 0.13 0.00 -1.23 0.00 0.00 61.79 60.46 1n7k h SER 47 Cb 0.12 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 61.88 1n7k h SER 47 CO -0.04 0.85 0.62 0.44 -0.53 0.00 0.00 176.83 178.17 1n7k h ASP 48 N -0.02 0.86 -0.05 6.23 3.45 -0.51 -2.88 116.42 123.50 1n7k h ASP 48 Ca 0.02 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1n7k h ASP 48 Cb 0.75 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 1n7k h ASP 48 CO 0.05 0.44 0.00 -1.22 -1.57 0.00 0.00 179.24 176.93 1n7k n TYR 49 N -4.62 0.05 -3.13 4.55 4.01 0.08 -5.01 117.16 113.08 1n7k n TYR 49 Ca 0.19 -0.04 -0.14 0.00 -0.16 0.00 0.00 57.90 57.75 1n7k n TYR 49 Cb 0.40 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.47 1n7k n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n7k n GLY 50 N 0.81 0.05 3.79 2.72 0.00 -0.17 -4.85 105.19 107.54 1n7k n GLY 50 Ca 0.09 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1n7k n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n7k s PHE 51 N -3.18 2.85 0.24 1.61 0.08 -0.61 -3.62 117.98 115.36 1n7k s PHE 51 Ca 0.34 1.51 -0.04 0.00 0.12 0.00 0.00 56.93 58.86 1n7k s PHE 51 Cb -0.15 -3.03 0.40 0.00 -0.57 0.00 0.00 43.02 39.67 1n7k s PHE 51 CO 0.42 -1.39 1.79 -0.09 -0.10 0.00 0.00 175.22 175.85 1n7k h ARG 52 N -0.10 0.68 -1.92 0.44 2.43 -0.46 -3.47 114.38 111.98 1n7k h ARG 52 Ca -0.46 -0.04 0.31 0.00 -0.81 0.00 0.00 59.98 58.98 1n7k h ARG 52 Cb 1.23 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.54 1n7k h ARG 52 CO 0.55 0.45 0.82 0.00 -1.51 0.00 0.00 179.97 180.28 1n7k s ALA 54 N -2.24 3.08 -0.21 0.00 0.00 -0.78 -0.67 121.76 120.94 1n7k s ALA 54 Ca 0.22 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 1n7k s ALA 54 Cb 0.01 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 1n7k s ALA 54 CO -0.01 0.32 -0.01 0.08 0.00 0.00 0.00 175.76 176.13 1n7k s VAL 55 N 0.02 3.78 0.27 0.00 1.01 0.40 -0.34 120.40 125.54 1n7k s VAL 55 Ca 0.01 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1n7k s VAL 55 Cb -0.13 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1n7k s VAL 55 CO 0.02 0.42 0.16 -0.76 0.00 0.00 0.00 175.10 174.95 1n7k s LEU 56 N 1.20 1.52 0.71 3.92 1.43 0.23 -2.15 118.68 125.53 1n7k s LEU 56 Ca 0.03 -1.52 -0.11 0.00 -1.03 0.00 0.00 54.13 51.50 1n7k s LEU 56 Cb -0.15 0.30 0.02 0.00 0.03 0.00 0.00 46.19 46.39 1n7k s LEU 56 CO 0.01 -0.89 1.08 0.42 0.23 0.00 0.00 176.35 177.21 1n7k s THR 57 N -3.77 3.63 0.20 5.49 -4.23 -1.26 -1.92 115.64 113.78 1n7k s THR 57 Ca 0.38 0.53 -0.12 0.00 -1.18 0.00 0.00 61.69 61.30 1n7k s THR 57 Cb 0.05 -3.46 0.14 0.00 1.34 0.00 0.00 72.50 70.57 1n7k s THR 57 CO 0.17 -0.69 1.69 -0.65 -0.54 0.00 0.00 174.62 174.60 1n7k h PRO 58 N -0.68 0.16 -0.06 3.99 0.11 -1.95 -1.01 132.00 132.55 1n7k h PRO 58 Ca -0.45 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1n7k h PRO 58 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1n7k h PRO 58 CO 0.62 0.11 0.01 0.28 -0.21 0.00 0.00 178.00 178.81 1n7k h VAL 59 N 0.17 0.98 -0.06 3.15 2.07 -1.97 -2.42 116.25 118.17 1n7k h VAL 59 Ca 0.28 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.68 1n7k h VAL 59 Cb 0.41 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1n7k h VAL 59 CO -0.41 0.01 -0.45 1.88 0.02 0.00 0.00 177.57 178.61 1n7k h TYR 60 N 0.04 0.15 -0.27 1.57 0.05 -1.90 -1.35 116.97 115.26 1n7k h TYR 60 Ca 0.03 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.79 1n7k h TYR 60 Cb 0.02 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1n7k h TYR 60 CO -0.10 0.56 0.12 1.15 -1.05 0.00 0.00 178.16 178.84 1n7k h THR 61 N 0.11 0.96 0.01 -2.88 2.02 -0.97 0.98 112.91 113.14 1n7k h THR 61 Ca 0.01 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1n7k h THR 61 Cb 0.84 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1n7k h THR 61 CO 0.06 0.05 -0.00 0.58 0.37 0.00 0.00 175.52 176.58 1n7k h VAL 62 N 0.25 1.17 -0.10 3.16 2.07 -1.20 -1.29 116.25 120.31 1n7k h VAL 62 Ca 0.12 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1n7k h VAL 62 Cb 0.06 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1n7k h VAL 62 CO -0.10 0.14 0.02 0.11 0.02 0.00 0.00 177.57 177.76 1n7k h LYS 63 N -0.24 0.14 -0.02 1.57 1.57 -1.02 -2.89 116.57 115.68 1n7k h LYS 63 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1n7k h LYS 63 Cb 0.23 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1n7k h LYS 63 CO 0.00 0.14 -0.47 1.51 -0.57 0.00 0.00 179.45 180.07 1n7k n ILE 64 N -4.47 0.00 -0.34 1.86 0.13 0.32 -4.52 119.36 112.35 1n7k n ILE 64 Ca -0.01 -0.25 0.11 0.00 -1.10 0.00 0.00 62.75 61.49 1n7k n ILE 64 Cb 0.12 1.21 0.29 0.00 -0.84 0.00 0.00 39.64 40.42 1n7k n ILE 64 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1n7k h SER 65 N 2.37 0.73 0.05 9.51 4.64 -1.01 -0.84 113.55 128.99 1n7k h SER 65 Ca 0.00 0.09 0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1n7k h SER 65 Cb 0.74 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1n7k h SER 65 CO 0.00 0.28 -0.14 1.23 -0.87 0.00 0.00 176.83 177.34 1n7k h GLY 66 N 0.75 -0.21 1.01 -0.77 0.00 -1.79 0.14 103.07 102.19 1n7k h GLY 66 Ca 0.54 0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.97 1n7k h GLY 66 CO -0.37 -0.14 0.13 -2.00 0.00 0.00 0.00 176.54 174.16 1n7k h LEU 67 N -0.25 0.86 -0.81 3.11 5.85 -1.72 -2.18 115.31 120.18 1n7k h LEU 67 Ca 0.03 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1n7k h LEU 67 Cb 0.29 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1n7k h LEU 67 CO -0.10 0.88 0.51 0.00 -0.34 0.00 0.00 178.44 179.39 1n7k h ALA 68 N 1.02 1.07 -0.22 1.25 0.00 -0.91 -0.53 119.26 120.93 1n7k h ALA 68 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1n7k h ALA 68 Cb 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1n7k h ALA 68 CO 0.00 0.32 0.07 1.49 0.00 0.00 0.00 179.25 181.14 1n7k h GLU 69 N 1.00 0.35 -0.97 0.00 4.81 -0.77 0.28 114.58 119.27 1n7k h GLU 69 Ca 0.33 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.53 1n7k h GLU 69 Cb 0.03 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 1n7k h GLU 69 CO -0.12 0.44 0.63 -0.22 -0.73 0.00 0.00 179.01 179.01 1n7k h LYS 70 N 0.19 1.14 -0.01 1.92 3.64 -0.91 -2.10 116.57 120.44 1n7k h LYS 70 Ca 0.07 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n7k h LYS 70 Cb 0.24 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1n7k h LYS 70 CO -0.00 0.75 -0.19 1.28 -2.27 0.00 0.00 179.45 179.02 1n7k n LEU 71 N -4.47 1.35 -1.91 5.20 4.77 -0.25 -4.95 117.00 116.74 1n7k n LEU 71 Ca 0.14 -0.41 -0.11 0.00 -0.03 0.00 0.00 56.01 55.59 1n7k n LEU 71 Cb 0.15 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1n7k n LEU 71 CO 0.33 0.24 0.10 0.61 -1.33 0.00 0.00 177.39 177.34 1n7k n GLY 72 N 1.30 0.20 3.48 -0.72 0.00 0.15 -4.95 105.19 104.65 1n7k n GLY 72 Ca 0.14 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1n7k n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n7k s VAL 73 N -3.09 4.71 0.38 1.61 1.01 0.75 -5.02 120.40 120.75 1n7k s VAL 73 Ca 0.26 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.75 1n7k s VAL 73 Cb -0.11 -3.31 -0.10 0.00 0.00 0.00 0.00 36.38 32.86 1n7k s VAL 73 CO 0.32 0.18 1.35 -0.75 0.00 0.00 0.00 175.10 176.20 1n7k s LYS 74 N 1.65 4.08 -0.11 2.72 2.20 -1.26 -4.53 119.74 124.50 1n7k s LYS 74 Ca 0.06 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 1n7k s LYS 74 Cb -0.16 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 1n7k s LYS 74 CO 0.07 -0.45 -0.10 -0.51 -0.36 0.00 0.00 175.35 173.99 1n7k s LEU 75 N -2.21 2.90 -0.09 5.43 1.43 -1.26 -1.87 118.68 123.01 1n7k s LEU 75 Ca 0.54 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1n7k s LEU 75 Cb -0.41 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1n7k s LEU 75 CO 0.54 0.24 -0.20 0.00 0.23 0.00 0.00 176.35 177.16 1n7k s SER 77 N 0.47 3.91 0.43 0.00 0.15 -0.66 -0.60 113.70 117.39 1n7k s SER 77 Ca -0.17 -0.34 -0.17 0.00 0.70 0.00 0.00 55.95 55.97 1n7k s SER 77 Cb -0.17 -0.71 -0.09 0.00 -1.71 0.00 0.00 66.02 63.34 1n7k s SER 77 CO 0.07 0.29 0.89 0.68 1.20 0.00 0.00 173.24 176.36 1n7k s VAL 78 N -0.87 4.55 -0.05 4.45 -7.23 -0.81 -0.92 120.40 119.53 1n7k s VAL 78 Ca 0.14 1.18 0.03 0.00 -1.81 0.00 0.00 61.98 61.52 1n7k s VAL 78 Cb -0.11 -3.65 0.01 0.00 0.56 0.00 0.00 36.38 33.19 1n7k s VAL 78 CO 0.04 -0.41 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.67 1n7k s ILE 79 N -2.28 1.04 -1.29 -0.62 1.01 -0.27 -4.34 121.20 114.45 1n7k s ILE 79 Ca 0.58 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.76 1n7k s ILE 79 Cb -0.10 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.44 1n7k s ILE 79 CO 0.21 0.32 0.12 0.61 0.00 0.00 0.00 174.94 176.20 1n7k n GLY 80 N 3.58 -0.50 3.84 6.18 0.00 -1.26 -2.03 105.19 114.99 1n7k n GLY 80 Ca -0.21 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1n7k n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n7k s PHE 81 N -2.80 3.72 -1.48 1.61 5.36 -1.26 0.12 117.98 123.24 1n7k s PHE 81 Ca 0.08 1.01 0.20 0.00 -0.96 0.00 0.00 56.93 57.26 1n7k s PHE 81 Cb -0.04 -2.31 -0.08 0.00 -0.34 0.00 0.00 43.02 40.25 1n7k s PHE 81 CO 0.10 0.61 0.93 -0.35 -1.46 0.00 0.00 175.22 175.05 1n7k n PRO 82 N 1.65 1.14 0.08 10.12 -0.04 -1.26 -4.84 135.00 141.85 1n7k n PRO 82 Ca -0.12 -0.59 -0.01 0.00 -0.04 0.00 0.00 63.50 62.74 1n7k n PRO 82 Cb 0.52 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.53 1n7k n PRO 82 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1n7k h LEU 83 N 1.39 0.00 2.02 1.53 5.85 -1.95 -3.47 115.31 120.67 1n7k h LEU 83 Ca 0.00 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.32 1n7k h LEU 83 Cb 0.59 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 1n7k h LEU 83 CO 0.00 0.68 -0.45 0.61 -0.34 0.00 0.00 178.44 178.94 1n7k n GLY 84 N 1.33 0.56 1.56 3.75 0.00 0.12 -4.88 105.19 107.61 1n7k n GLY 84 Ca -0.03 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1n7k n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n7k n GLN 85 N -2.70 2.58 -3.71 1.61 6.02 -1.26 -2.66 117.38 117.26 1n7k n GLN 85 Ca -0.22 -3.60 -0.27 0.00 -0.01 0.00 0.00 57.00 52.90 1n7k n GLN 85 Cb 0.67 -2.02 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 1n7k n GLN 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n7k s ALA 86 N -3.46 3.84 0.84 -1.58 0.00 -1.26 -5.07 121.76 115.08 1n7k s ALA 86 Ca 0.49 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1n7k s ALA 86 Cb 0.42 -1.99 0.10 0.00 0.00 0.00 0.00 23.12 21.65 1n7k s ALA 86 CO 0.00 0.45 1.14 -1.25 0.00 0.00 0.00 175.76 176.09 1n7k s PRO 87 N -3.30 1.56 0.25 0.00 0.04 -1.26 -4.81 135.00 127.48 1n7k s PRO 87 Ca 0.38 1.46 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 1n7k s PRO 87 Cb -0.11 -1.80 0.49 0.00 0.04 0.00 0.00 34.50 33.12 1n7k s PRO 87 CO 0.29 -2.21 1.76 1.25 0.04 0.00 0.00 177.00 178.12 1n7k h LEU 88 N -1.43 0.47 -1.07 -3.56 5.85 -1.98 -1.51 115.31 112.09 1n7k h LEU 88 Ca -0.44 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.41 1n7k h LEU 88 Cb 1.26 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.25 1n7k h LEU 88 CO 0.46 0.21 0.63 -0.08 -0.34 0.00 0.00 178.44 179.31 1n7k h GLU 89 N 0.59 1.17 -0.59 1.25 4.81 -2.00 -0.83 114.58 118.98 1n7k h GLU 89 Ca 0.44 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.49 1n7k h GLU 89 Cb 0.61 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1n7k h GLU 89 CO -0.36 0.77 -0.04 0.28 -0.73 0.00 0.00 179.01 178.94 1n7k h VAL 90 N 1.20 1.27 -0.23 0.32 2.07 -1.63 -2.04 116.25 117.20 1n7k h VAL 90 Ca 0.38 -1.20 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 1n7k h VAL 90 Cb 0.00 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1n7k h VAL 90 CO -0.11 0.43 -0.27 0.11 0.02 0.00 0.00 177.57 177.75 1n7k h LYS 91 N 0.96 0.45 -0.43 1.57 1.57 -0.98 -1.70 116.57 118.00 1n7k h LYS 91 Ca 0.16 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1n7k h LYS 91 Cb 0.60 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1n7k h LYS 91 CO 0.04 0.68 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.34 1n7k h LEU 92 N 0.39 0.90 -0.74 2.94 3.38 -0.93 0.39 115.31 121.65 1n7k h LEU 92 Ca 0.06 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 1n7k h LEU 92 Cb 0.68 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1n7k h LEU 92 CO 0.05 1.10 0.27 0.58 0.09 0.00 0.00 178.44 180.53 1n7k h VAL 93 N 0.71 1.26 -0.35 1.22 2.07 -1.22 0.19 116.25 120.13 1n7k h VAL 93 Ca 0.10 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1n7k h VAL 93 Cb 0.75 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1n7k h VAL 93 CO 0.06 0.34 0.05 -0.08 0.02 0.00 0.00 177.57 177.95 1n7k h GLU 94 N 1.08 0.59 -0.68 1.57 4.81 -1.00 -2.29 114.58 118.66 1n7k h GLU 94 Ca 0.24 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1n7k h GLU 94 Cb 0.25 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1n7k h GLU 94 CO -0.01 0.67 0.12 0.00 -0.73 0.00 0.00 179.01 179.06 1n7k h ALA 95 N 0.89 0.90 0.09 2.92 0.00 0.09 -3.02 119.26 121.13 1n7k h ALA 95 Ca 0.11 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1n7k h ALA 95 Cb 0.38 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1n7k h ALA 95 CO 0.01 0.66 -0.20 0.37 0.00 0.00 0.00 179.25 180.09 1n7k h GLN 96 N 1.04 -0.35 -0.70 0.00 5.75 -0.43 0.15 115.11 120.57 1n7k h GLN 96 Ca 0.21 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.79 1n7k h GLN 96 Cb 0.43 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.01 1n7k h GLN 96 CO 0.01 -0.24 0.46 1.79 -2.65 0.00 0.00 178.83 178.21 1n7k h THR 97 N -0.37 1.03 -0.01 2.39 1.35 -1.39 0.21 112.91 116.12 1n7k h THR 97 Ca 0.03 -0.26 -0.25 0.00 -0.55 0.00 0.00 66.41 65.38 1n7k h THR 97 Cb 0.39 0.22 0.02 0.00 -1.73 0.00 0.00 68.15 67.05 1n7k h THR 97 CO -0.12 0.14 -1.00 0.58 -0.25 0.00 0.00 175.52 174.86 1n7k h VAL 98 N 0.75 1.31 -0.29 6.82 2.07 -1.33 -2.87 116.25 122.71 1n7k h VAL 98 Ca 0.30 -2.28 -0.07 0.00 0.82 0.00 0.00 66.70 65.46 1n7k h VAL 98 Cb 0.23 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1n7k h VAL 98 CO -0.10 0.70 -0.10 -0.07 0.02 0.00 0.00 177.57 178.02 1n7k h LEU 99 N 0.36 0.60 -2.41 2.57 3.38 -0.10 -2.10 115.31 117.61 1n7k h LEU 99 Ca -0.11 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1n7k h LEU 99 Cb 1.65 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 1n7k h LEU 99 CO 0.19 0.85 -0.01 -0.33 0.09 0.00 0.00 178.44 179.23 1n7k h GLU 100 N 0.34 0.00 0.00 1.13 5.08 -0.66 -1.02 114.58 119.45 1n7k h GLU 100 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1n7k h GLU 100 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1n7k h GLU 100 CO 0.04 0.01 -0.17 0.00 -1.00 0.00 0.00 179.01 177.89 1n7k n ALA 101 N -2.32 2.49 0.00 3.43 0.00 -0.95 -4.93 120.51 118.23 1n7k n ALA 101 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1n7k n ALA 101 Cb 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1n7k n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7k n GLY 102 N 1.34 0.98 3.73 0.00 0.00 -0.39 -4.85 105.19 106.00 1n7k n GLY 102 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1n7k n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7k s ALA 103 N -2.00 3.69 -1.41 4.61 0.00 -0.83 -4.72 121.76 121.10 1n7k s ALA 103 Ca 0.00 1.32 0.13 0.00 0.00 0.00 0.00 51.96 53.41 1n7k s ALA 103 Cb 0.00 -3.58 0.20 0.00 0.00 0.00 0.00 23.12 19.74 1n7k s ALA 103 CO 0.00 -0.74 1.06 0.25 0.00 0.00 0.00 175.76 176.33 1n7k n THR 104 N 3.30 0.39 -3.82 0.00 -2.24 -0.79 -4.56 114.28 106.56 1n7k n THR 104 Ca 0.11 -0.69 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 1n7k n THR 104 Cb 0.40 0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 69.50 1n7k n THR 104 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1n7k s GLU 105 N -1.05 0.42 -0.06 -0.78 2.02 -1.16 -0.85 118.70 117.23 1n7k s GLU 105 Ca 0.20 -0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.15 1n7k s GLU 105 Cb 0.12 0.19 0.02 0.00 0.10 0.00 0.00 34.13 34.56 1n7k s GLU 105 CO 0.17 -0.09 -0.08 -0.51 0.02 0.00 0.00 175.26 174.76 1n7k s LEU 106 N -0.72 1.44 -0.54 1.80 1.43 -0.01 -1.66 118.68 120.41 1n7k s LEU 106 Ca -0.08 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 1n7k s LEU 106 Cb -0.05 -0.68 0.14 0.00 0.03 0.00 0.00 46.19 45.63 1n7k s LEU 106 CO 0.02 -0.02 0.46 -1.81 0.23 0.00 0.00 176.35 175.22 1n7k s ASP 107 N 0.93 6.00 -0.04 2.29 1.11 -0.09 -0.46 116.67 126.40 1n7k s ASP 107 Ca -0.10 -1.98 -0.14 0.00 0.18 0.00 0.00 52.55 50.51 1n7k s ASP 107 Cb -0.15 -2.11 -0.05 0.00 1.07 0.00 0.00 42.92 41.68 1n7k s ASP 107 CO 0.01 -0.74 0.37 -0.69 1.18 0.00 0.00 175.17 175.30 1n7k s VAL 108 N 1.29 5.13 -0.40 -1.27 1.01 0.21 -1.12 120.40 125.25 1n7k s VAL 108 Ca 0.06 0.75 -0.06 0.00 0.00 0.00 0.00 61.98 62.73 1n7k s VAL 108 Cb -0.26 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.52 1n7k s VAL 108 CO -0.00 0.54 0.20 -0.69 0.00 0.00 0.00 175.10 175.14 1n7k s VAL 109 N -0.73 3.73 0.89 2.92 1.01 -0.86 -0.28 120.40 127.09 1n7k s VAL 109 Ca 0.22 -1.60 -0.14 0.00 0.00 0.00 0.00 61.98 60.47 1n7k s VAL 109 Cb -0.16 -3.34 0.15 0.00 0.00 0.00 0.00 36.38 33.03 1n7k s VAL 109 CO 0.11 -0.49 1.25 -2.16 0.00 0.00 0.00 175.10 173.81 1n7k s PRO 110 N 1.31 1.20 -1.29 2.72 0.04 -1.26 -4.39 135.00 133.33 1n7k s PRO 110 Ca 0.03 -0.25 -0.16 0.00 0.04 0.00 0.00 61.00 60.67 1n7k s PRO 110 Cb -0.22 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1n7k s PRO 110 CO -0.00 -2.05 1.71 1.58 0.04 0.00 0.00 177.00 178.28 1n7k n HIS 111 N -3.55 4.54 -0.28 0.56 -0.00 -1.09 -4.63 115.22 110.78 1n7k n HIS 111 Ca 0.12 -3.00 0.05 0.00 0.46 0.00 0.00 57.72 55.35 1n7k n HIS 111 Cb 0.60 -2.46 0.19 0.00 -0.12 0.00 0.00 29.99 28.20 1n7k n HIS 111 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1n7k h LEU 112 N 11.22 0.48 0.00 0.27 3.38 -1.90 -2.53 115.31 126.23 1n7k h LEU 112 Ca 0.42 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1n7k h LEU 112 Cb 0.83 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1n7k h LEU 112 CO 1.45 0.23 0.00 -1.54 0.09 0.00 0.00 178.44 178.67 1n7k n SER 113 N -4.88 0.00 0.02 -0.43 3.41 -1.26 -1.94 113.62 108.54 1n7k n SER 113 Ca 0.15 0.39 0.14 0.00 -0.26 0.00 0.00 58.87 59.29 1n7k n SER 113 Cb 0.38 -0.43 0.57 0.00 -0.26 0.00 0.00 64.21 64.47 1n7k n SER 113 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n7k n LEU 114 N -1.43 0.13 0.00 1.04 4.77 -0.95 -5.02 117.00 115.53 1n7k n LEU 114 Ca 0.03 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1n7k n LEU 114 Cb 0.09 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1n7k n LEU 114 CO 0.08 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1n7k n GLY 115 N 1.41 2.50 0.25 -0.72 0.00 -0.82 -4.59 105.19 103.22 1n7k n GLY 115 Ca 0.07 -1.92 0.03 0.00 0.00 0.00 0.00 46.02 44.19 1n7k n GLY 115 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n7k h PRO 116 N 0.00 0.12 -0.59 1.61 0.11 -1.91 -1.76 132.00 129.58 1n7k h PRO 116 Ca 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1n7k h PRO 116 Cb 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 1n7k h PRO 116 CO 0.00 0.08 0.27 0.93 -0.21 0.00 0.00 178.00 179.07 1n7k h GLU 117 N 0.12 0.86 -0.53 1.05 4.39 -1.94 -0.29 114.58 118.23 1n7k h GLU 117 Ca 0.36 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.85 1n7k h GLU 117 Cb 0.61 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1n7k h GLU 117 CO -0.58 0.71 0.02 0.00 -1.16 0.00 0.00 179.01 178.00 1n7k h ALA 118 N 1.11 0.72 -0.90 3.43 0.00 -1.70 -1.72 119.26 120.19 1n7k h ALA 118 Ca 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1n7k h ALA 118 Cb 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1n7k h ALA 118 CO -0.02 0.52 0.49 0.28 0.00 0.00 0.00 179.25 180.52 1n7k h VAL 119 N 0.81 1.26 -0.09 0.00 2.07 -1.05 0.13 116.25 119.38 1n7k h VAL 119 Ca 0.15 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1n7k h VAL 119 Cb 0.50 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1n7k h VAL 119 CO 0.02 0.29 0.04 0.22 0.02 0.00 0.00 177.57 178.17 1n7k h TYR 120 N 1.26 0.13 -0.71 1.57 5.03 -0.75 0.94 116.97 124.44 1n7k h TYR 120 Ca 0.32 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.57 1n7k h TYR 120 Cb 0.03 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.24 1n7k h TYR 120 CO 0.01 0.20 0.24 0.00 -1.32 0.00 0.00 178.16 177.29 1n7k h ARG 121 N 0.01 1.08 -0.02 1.82 3.08 -0.97 -1.35 114.38 118.03 1n7k h ARG 121 Ca 0.03 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1n7k h ARG 121 Cb 0.12 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1n7k h ARG 121 CO -0.00 0.90 -0.02 1.49 -1.07 0.00 0.00 179.97 181.27 1n7k h GLU 122 N 1.04 0.05 -0.64 0.04 4.81 -0.57 -2.91 114.58 116.40 1n7k h GLU 122 Ca 0.23 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1n7k h GLU 122 Cb 0.26 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1n7k h GLU 122 CO -0.01 0.51 0.24 0.28 -0.73 0.00 0.00 179.01 179.30 1n7k h VAL 123 N -0.40 1.23 -0.85 0.32 2.07 -0.78 -2.29 116.25 115.54 1n7k h VAL 123 Ca 0.00 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.83 1n7k h VAL 123 Cb 0.50 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1n7k h VAL 123 CO 0.00 0.29 0.54 0.28 0.02 0.00 0.00 177.57 178.71 1n7k h SER 124 N 0.92 0.90 -0.68 0.57 0.02 -1.27 0.19 113.55 114.20 1n7k h SER 124 Ca 0.21 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1n7k h SER 124 Cb 0.20 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1n7k h SER 124 CO -0.02 0.62 0.27 1.23 -1.14 0.00 0.00 176.83 177.79 1n7k h GLY 125 N 1.06 1.12 1.22 -3.77 0.00 -1.22 -1.30 103.07 100.18 1n7k h GLY 125 Ca 0.34 -0.60 -0.26 0.00 0.00 0.00 0.00 47.33 46.81 1n7k h GLY 125 CO -0.12 0.57 -1.00 -2.22 0.00 0.00 0.00 176.54 173.77 1n7k h ILE 126 N 1.02 1.28 -0.48 2.60 2.04 -0.97 -3.04 117.51 119.95 1n7k h ILE 126 Ca 0.24 -2.21 -0.02 0.00 1.00 0.00 0.00 64.86 63.86 1n7k h ILE 126 Cb 0.21 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 1n7k h ILE 126 CO -0.02 0.69 0.22 0.58 0.00 0.00 0.00 178.15 179.62 1n7k h VAL 127 N 0.41 1.17 -0.06 1.67 2.07 -0.52 -0.18 116.25 120.82 1n7k h VAL 127 Ca -0.12 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1n7k h VAL 127 Cb 1.65 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1n7k h VAL 127 CO 0.20 0.20 0.04 0.50 0.02 0.00 0.00 177.57 178.53 1n7k h LYS 128 N 0.68 0.09 -0.52 1.57 3.64 -1.21 0.17 116.57 121.00 1n7k h LYS 128 Ca 0.17 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1n7k h LYS 128 Cb 0.10 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1n7k h LYS 128 CO -0.02 0.08 0.11 1.25 -2.27 0.00 0.00 179.45 178.60 1n7k h LEU 129 N 0.07 0.80 -0.64 5.20 5.85 -1.34 -3.13 115.31 122.12 1n7k h LEU 129 Ca 0.02 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1n7k h LEU 129 Cb 0.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1n7k h LEU 129 CO -0.00 0.84 0.40 0.00 -0.34 0.00 0.00 178.44 179.34 1n7k h ALA 130 N 0.99 0.81 -0.40 1.25 0.00 -0.65 -2.76 119.26 118.50 1n7k h ALA 130 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1n7k h ALA 130 Cb 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1n7k h ALA 130 CO 0.01 0.26 0.25 0.87 0.00 0.00 0.00 179.25 180.64 1n7k h LYS 131 N 0.86 0.52 0.00 0.00 1.57 -0.61 -0.23 116.57 118.68 1n7k h LYS 131 Ca 0.23 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1n7k h LYS 131 Cb -0.06 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1n7k h LYS 131 CO -0.05 0.36 0.00 -1.13 -0.57 0.00 0.00 179.45 178.06 1n7k n SER 132 N -4.47 0.42 -0.35 0.86 3.41 -1.04 -0.85 113.62 111.60 1n7k n SER 132 Ca 0.03 0.64 0.04 0.00 -0.26 0.00 0.00 58.87 59.32 1n7k n SER 132 Cb 0.07 -0.72 0.05 0.00 -0.26 0.00 0.00 64.21 63.35 1n7k n SER 132 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1n7k n TYR 133 N -2.00 0.05 -2.44 7.33 4.02 -0.60 -4.97 117.16 118.55 1n7k n TYR 133 Ca 0.01 -0.07 -0.14 0.00 -0.01 0.00 0.00 57.90 57.68 1n7k n TYR 133 Cb 0.13 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1n7k n TYR 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n7k n GLY 134 N 0.44 -0.18 3.88 2.72 0.00 -0.03 -5.00 105.19 107.02 1n7k n GLY 134 Ca 0.05 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1n7k n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7k s ALA 135 N -2.79 3.75 0.04 4.61 0.00 -0.20 -4.99 121.76 122.18 1n7k s ALA 135 Ca 0.07 -0.47 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 1n7k s ALA 135 Cb -0.03 -2.20 -0.06 0.00 0.00 0.00 0.00 23.12 20.83 1n7k s ALA 135 CO 0.09 0.62 0.43 0.08 0.00 0.00 0.00 175.76 176.97 1n7k s VAL 136 N -1.56 5.01 -0.14 0.00 1.01 -0.03 -4.32 120.40 120.37 1n7k s VAL 136 Ca 0.38 0.77 0.01 0.00 0.00 0.00 0.00 61.98 63.14 1n7k s VAL 136 Cb -0.13 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1n7k s VAL 136 CO 0.21 0.48 -0.17 -0.69 0.00 0.00 0.00 175.10 174.94 1n7k s VAL 137 N -1.19 2.61 -0.17 2.92 1.01 -1.26 -0.83 120.40 123.49 1n7k s VAL 137 Ca 0.27 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1n7k s VAL 137 Cb -0.16 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1n7k s VAL 137 CO 0.15 0.53 -0.04 -0.54 0.00 0.00 0.00 175.10 175.20 1n7k s LYS 138 N 0.62 3.60 -0.32 2.72 1.02 0.39 -2.36 119.74 125.41 1n7k s LYS 138 Ca -0.09 -0.55 -0.11 0.00 0.02 0.00 0.00 55.97 55.23 1n7k s LYS 138 Cb -0.16 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.21 1n7k s LYS 138 CO 0.03 0.16 0.20 0.08 -0.92 0.00 0.00 175.35 174.90 1n7k s VAL 139 N 0.58 5.04 -0.13 3.17 1.01 0.25 -0.62 120.40 129.70 1n7k s VAL 139 Ca -0.03 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1n7k s VAL 139 Cb -0.14 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1n7k s VAL 139 CO 0.03 0.06 1.11 -0.63 0.00 0.00 0.00 175.10 175.66 1n7k s ILE 140 N 1.69 4.54 -1.46 2.22 1.01 0.62 0.10 121.20 129.93 1n7k s ILE 140 Ca 0.06 1.84 0.14 0.00 0.00 0.00 0.00 60.65 62.69 1n7k s ILE 140 Cb -0.17 -4.19 0.04 0.00 0.01 0.00 0.00 42.46 38.15 1n7k s ILE 140 CO 0.09 -0.07 0.84 0.18 0.00 0.00 0.00 174.94 175.98 1n7k n LEU 141 N 5.64 1.73 -3.91 2.97 4.77 0.07 -4.40 117.00 123.88 1n7k n LEU 141 Ca 0.11 -0.85 -0.29 0.00 -0.03 0.00 0.00 56.01 54.95 1n7k n LEU 141 Cb 0.47 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1n7k n LEU 141 CO 0.53 0.33 -0.20 -0.62 -1.33 0.00 0.00 177.39 176.10 1n7k n GLU 142 N 0.19 -2.35 -0.34 3.23 -0.58 -1.07 -4.84 120.64 114.89 1n7k n GLU 142 Ca 0.07 0.37 0.18 0.00 -0.42 0.00 0.00 57.16 57.36 1n7k n GLU 142 Cb 0.31 -4.19 0.39 0.00 -0.57 0.00 0.00 31.44 27.39 1n7k n GLU 142 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n7k h ALA 143 N 0.90 1.77 0.00 0.62 0.00 -1.34 -1.42 119.26 119.79 1n7k h ALA 143 Ca -0.65 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1n7k h ALA 143 Cb 1.38 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1n7k h ALA 143 CO 0.58 -0.35 0.03 -1.35 0.00 0.00 0.00 179.25 178.16 1n7k h PRO 144 N 0.49 0.00 0.00 0.00 0.11 -1.88 -2.45 132.00 128.27 1n7k h PRO 144 Ca 0.65 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.74 1n7k h PRO 144 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1n7k h PRO 144 CO -0.52 0.00 -0.37 -0.07 -0.21 0.00 0.00 178.00 176.83 1n7k h LEU 145 N 0.00 0.00 -9.25 2.35 3.38 -1.59 -3.47 115.31 106.73 1n7k h LEU 145 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1n7k h LEU 145 Cb 0.06 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.67 1n7k h LEU 145 CO 0.00 0.09 -0.75 0.26 0.09 0.00 0.00 178.44 178.14 1n7k s TRP 146 N -3.20 2.39 0.95 1.13 0.52 -0.92 -5.14 118.94 114.67 1n7k s TRP 146 Ca 0.04 -0.31 -0.15 0.00 0.02 0.00 0.00 56.10 55.70 1n7k s TRP 146 Cb 0.07 -1.07 0.18 0.00 -1.15 0.00 0.00 33.47 31.50 1n7k s TRP 146 CO 0.72 0.65 1.27 0.16 0.02 0.00 0.00 176.95 179.77 1n7k s ASP 147 N -3.35 3.18 0.22 2.95 1.47 -1.26 -4.76 116.67 115.12 1n7k s ASP 147 Ca 0.28 0.42 -0.07 0.00 1.18 0.00 0.00 52.55 54.37 1n7k s ASP 147 Cb -0.06 -0.59 0.18 0.00 -0.34 0.00 0.00 42.92 42.11 1n7k s ASP 147 CO 0.15 -2.71 1.81 0.44 0.68 0.00 0.00 175.17 175.54 1n7k h ASP 148 N -1.62 1.12 -0.33 2.11 3.32 -1.98 -0.48 116.42 118.55 1n7k h ASP 148 Ca -0.45 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 56.48 1n7k h ASP 148 Cb 1.26 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 1n7k h ASP 148 CO 0.44 0.95 0.16 0.50 -1.72 0.00 0.00 179.24 179.57 1n7k h LYS 149 N 1.21 0.32 -0.29 3.56 3.64 -1.99 0.13 116.57 123.14 1n7k h LYS 149 Ca 0.29 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.52 1n7k h LYS 149 Cb 0.15 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1n7k h LYS 149 CO -0.03 0.21 -0.34 1.15 -2.27 0.00 0.00 179.45 178.17 1n7k h THR 150 N 0.33 1.29 -0.55 1.00 2.02 -1.87 -2.04 112.91 113.08 1n7k h THR 150 Ca 0.14 -1.48 -0.10 0.00 0.77 0.00 0.00 66.41 65.74 1n7k h THR 150 Cb 0.06 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1n7k h THR 150 CO -0.11 0.48 -0.06 0.25 0.37 0.00 0.00 175.52 176.45 1n7k h LEU 151 N 0.55 0.99 -0.13 2.58 5.85 -0.65 -1.87 115.31 122.61 1n7k h LEU 151 Ca 0.06 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1n7k h LEU 151 Cb 0.84 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1n7k h LEU 151 CO 0.07 1.07 0.08 -1.28 -0.34 0.00 0.00 178.44 178.05 1n7k h SER 152 N 0.90 0.16 -0.92 1.25 0.87 -0.55 0.91 113.55 116.17 1n7k h SER 152 Ca 0.15 -0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.75 1n7k h SER 152 Cb 0.61 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 1n7k h SER 152 CO 0.04 0.17 0.57 -0.07 -0.53 0.00 0.00 176.83 177.01 1n7k h LEU 153 N 0.14 0.87 -0.45 2.23 3.38 -1.20 0.12 115.31 120.40 1n7k h LEU 153 Ca 0.05 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1n7k h LEU 153 Cb 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1n7k h LEU 153 CO -0.01 0.51 -0.02 -0.07 0.09 0.00 0.00 178.44 178.94 1n7k h LEU 154 N 0.98 0.80 -0.61 1.67 4.07 -0.83 -0.26 115.31 121.13 1n7k h LEU 154 Ca 0.43 -0.32 -0.07 0.00 0.08 0.00 0.00 57.88 58.00 1n7k h LEU 154 Cb 0.31 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1n7k h LEU 154 CO -0.22 0.93 0.12 0.58 -1.08 0.00 0.00 178.44 178.77 1n7k h VAL 155 N 0.66 1.26 -0.54 1.22 2.07 -0.09 -1.85 116.25 118.98 1n7k h VAL 155 Ca 0.13 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 1n7k h VAL 155 Cb 0.53 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1n7k h VAL 155 CO 0.03 0.36 -0.05 0.44 0.02 0.00 0.00 177.57 178.37 1n7k h ASP 156 N 0.91 0.94 -0.35 0.57 3.32 -0.58 -0.16 116.42 121.07 1n7k h ASP 156 Ca 0.19 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1n7k h ASP 156 Cb 0.40 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1n7k h ASP 156 CO 0.01 1.02 -0.04 0.28 -1.72 0.00 0.00 179.24 178.79 1n7k h SER 157 N 0.87 0.72 -0.31 6.45 0.02 -0.88 0.00 113.55 120.42 1n7k h SER 157 Ca 0.15 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1n7k h SER 157 Cb 0.58 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1n7k h SER 157 CO 0.03 0.81 0.01 0.28 -1.14 0.00 0.00 176.83 176.83 1n7k h SER 158 N 0.69 0.52 0.49 3.07 0.02 -0.96 -1.21 113.55 116.16 1n7k h SER 158 Ca 0.13 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1n7k h SER 158 Cb 0.49 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1n7k h SER 158 CO 0.03 0.69 -0.30 -0.09 -1.14 0.00 0.00 176.83 176.02 1n7k h ARG 159 N 0.33 -0.72 -0.21 3.45 9.65 -0.69 -2.16 114.38 124.04 1n7k h ARG 159 Ca 0.09 0.05 0.06 0.00 -1.10 0.00 0.00 59.98 59.08 1n7k h ARG 159 Cb 0.41 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 1n7k h ARG 159 CO 0.01 -0.48 0.18 0.00 2.80 0.00 0.00 179.97 182.48 1n7k h ARG 160 N -0.75 0.00 0.00 0.20 3.08 -0.97 -0.44 114.38 115.50 1n7k h ARG 160 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1n7k h ARG 160 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1n7k h ARG 160 CO 0.06 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.96 1n7k n ALA 161 N -2.48 2.00 -0.04 0.04 0.00 -0.46 -4.90 120.51 114.67 1n7k n ALA 161 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1n7k n ALA 161 Cb 0.32 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1n7k n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7k n GLY 162 N 0.72 0.88 3.77 0.00 0.00 -0.17 -4.31 105.19 106.07 1n7k n GLY 162 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1n7k n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7k s ALA 163 N -2.02 2.93 -0.11 4.61 0.00 -0.87 -4.96 121.76 121.35 1n7k s ALA 163 Ca 0.00 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1n7k s ALA 163 Cb 0.00 -3.41 -0.27 0.00 0.00 0.00 0.00 23.12 19.44 1n7k s ALA 163 CO 0.00 -0.79 0.49 -0.44 0.00 0.00 0.00 175.76 175.02 1n7k h ASP 164 N 1.90 0.39 -4.30 0.00 3.32 -1.83 -3.43 116.42 112.47 1n7k h ASP 164 Ca -0.50 -0.86 -0.40 0.00 0.02 0.00 0.00 57.03 55.29 1n7k h ASP 164 Cb 1.26 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.48 1n7k h ASP 164 CO 0.59 1.70 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.42 1n7k s ILE 165 N -2.50 1.17 -0.06 0.35 1.01 -1.00 -1.47 121.20 118.70 1n7k s ILE 165 Ca -0.21 -1.51 0.06 0.00 0.00 0.00 0.00 60.65 58.99 1n7k s ILE 165 Cb 0.05 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1n7k s ILE 165 CO 0.76 -0.35 -0.23 -0.69 0.00 0.00 0.00 174.94 174.44 1n7k s VAL 166 N -1.78 2.29 -0.06 2.92 1.01 -0.87 -0.58 120.40 123.32 1n7k s VAL 166 Ca 0.03 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1n7k s VAL 166 Cb -0.07 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1n7k s VAL 166 CO 0.02 0.57 -0.08 -0.75 0.00 0.00 0.00 175.10 174.86 1n7k s LYS 167 N -0.29 2.69 0.26 2.72 2.20 0.11 -1.53 119.74 125.91 1n7k s LYS 167 Ca 0.00 -0.58 -0.00 0.00 -0.36 0.00 0.00 55.97 55.03 1n7k s LYS 167 Cb -0.13 -2.54 0.33 0.00 -1.51 0.00 0.00 37.83 33.98 1n7k s LYS 167 CO 0.03 0.65 1.69 0.00 -0.36 0.00 0.00 175.35 177.36 1n7k h THR 168 N 4.25 1.27 -2.87 3.43 1.03 -1.48 0.23 112.91 118.76 1n7k h THR 168 Ca -0.48 -1.29 0.03 0.00 -0.01 0.00 0.00 66.41 64.66 1n7k h THR 168 Cb 1.17 1.29 -0.11 0.00 -1.07 0.00 0.00 68.15 69.43 1n7k h THR 168 CO 0.52 0.42 0.27 -0.55 -0.01 0.00 0.00 175.52 176.16 1n7k s SER 169 N -6.78 -0.45 0.26 0.00 0.15 -1.26 -0.98 113.70 104.64 1n7k s SER 169 Ca -0.08 -0.16 0.20 0.00 0.70 0.00 0.00 55.95 56.61 1n7k s SER 169 Cb 0.13 0.60 0.09 0.00 -1.71 0.00 0.00 66.02 65.13 1n7k s SER 169 CO 0.81 -1.01 1.26 0.71 1.20 0.00 0.00 173.24 176.21 1n7k h THR 170 N 2.00 0.29 0.00 6.45 1.35 -1.88 -3.44 112.91 117.68 1n7k h THR 170 Ca -0.29 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.11 1n7k h THR 170 Cb 1.28 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1n7k h THR 170 CO 0.33 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 1n7k n GLY 171 N 1.21 0.98 0.47 5.82 0.00 -1.06 -4.85 105.19 107.76 1n7k n GLY 171 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 1n7k n GLY 171 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n7k n VAL 172 N -2.00 1.39 0.45 1.61 0.31 -1.26 -4.74 118.33 114.09 1n7k n VAL 172 Ca 0.00 0.25 0.12 0.00 -0.01 0.00 0.00 64.34 64.70 1n7k n VAL 172 Cb 0.00 -2.04 0.22 0.00 -0.91 0.00 0.00 33.84 31.11 1n7k n VAL 172 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1n7k h TYR 173 N -0.60 0.00 -3.65 3.52 0.05 -1.91 -3.47 116.97 110.91 1n7k h TYR 173 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1n7k h TYR 173 Cb 0.60 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.27 1n7k h TYR 173 CO -0.26 0.00 -0.04 0.95 -1.05 0.00 0.00 178.16 177.77 1n7k s THR 174 N -3.18 0.00 -0.05 -2.88 -4.23 -1.26 -5.05 115.64 98.99 1n7k s THR 174 Ca 0.07 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 1n7k s THR 174 Cb 0.11 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.44 1n7k s THR 174 CO 0.68 0.00 -0.03 -0.54 -0.54 0.00 0.00 174.62 174.19 1n7k s LYS 175 N -3.21 0.75 -0.26 3.99 1.02 -1.26 -2.57 119.74 118.21 1n7k s LYS 175 Ca 0.23 -0.06 0.16 0.00 0.02 0.00 0.00 55.97 56.32 1n7k s LYS 175 Cb -0.02 -0.82 0.48 0.00 -0.52 0.00 0.00 37.83 36.95 1n7k s LYS 175 CO 0.14 -0.12 1.15 0.41 -0.92 0.00 0.00 175.35 176.02 1n7k n GLY 176 N 4.20 3.89 0.08 -3.33 0.00 0.30 -4.78 105.19 105.55 1n7k n GLY 176 Ca -0.23 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.15 1n7k n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n7k n GLY 177 N -0.62 -0.99 3.80 -0.02 0.00 -0.97 -3.62 105.19 102.77 1n7k n GLY 177 Ca 0.23 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1n7k n GLY 177 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1n7k s ASP 178 N -2.87 6.16 0.23 1.61 1.47 -1.26 -4.57 116.67 117.44 1n7k s ASP 178 Ca 0.14 1.93 -0.07 0.00 1.18 0.00 0.00 52.55 55.73 1n7k s ASP 178 Cb 0.18 -2.56 0.37 0.00 -0.34 0.00 0.00 42.92 40.57 1n7k s ASP 178 CO 0.69 -0.91 1.74 -0.65 0.68 0.00 0.00 175.17 176.72 1n7k h PRO 179 N 1.28 0.43 0.07 2.11 0.11 -1.92 -1.27 132.00 132.82 1n7k h PRO 179 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1n7k h PRO 179 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1n7k h PRO 179 CO 0.58 0.28 -0.05 0.28 -0.21 0.00 0.00 178.00 178.89 1n7k h VAL 180 N 0.44 0.90 -0.59 3.15 2.07 -1.96 0.14 116.25 120.40 1n7k h VAL 180 Ca 0.36 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.79 1n7k h VAL 180 Cb 0.50 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1n7k h VAL 180 CO -0.35 0.00 0.02 0.74 0.02 0.00 0.00 177.57 177.99 1n7k h THR 181 N -0.12 1.26 -0.27 2.57 2.02 -1.85 -1.28 112.91 115.25 1n7k h THR 181 Ca -0.01 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 1n7k h THR 181 Cb 0.10 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1n7k h THR 181 CO 0.01 0.40 0.12 0.58 0.37 0.00 0.00 175.52 177.00 1n7k h VAL 182 N 0.94 1.16 -0.76 3.16 2.07 -1.04 -2.42 116.25 119.35 1n7k h VAL 182 Ca 0.17 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1n7k h VAL 182 Cb 0.52 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1n7k h VAL 182 CO 0.03 0.16 0.32 0.15 0.02 0.00 0.00 177.57 178.25 1n7k h PHE 183 N 0.30 1.14 -0.75 1.57 3.57 -0.53 0.12 116.94 122.35 1n7k h PHE 183 Ca 0.09 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1n7k h PHE 183 Cb 0.14 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 38.48 1n7k h PHE 183 CO -0.01 0.86 0.45 0.00 -2.23 0.00 0.00 178.31 177.37 1n7k h ARG 184 N 1.10 0.79 -0.02 1.11 3.08 -0.99 0.16 114.38 119.62 1n7k h ARG 184 Ca 0.26 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 1n7k h ARG 184 Cb 0.19 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1n7k h ARG 184 CO -0.02 0.53 -0.34 1.25 -1.07 0.00 0.00 179.97 180.31 1n7k h LEU 185 N 0.82 0.33 -0.80 3.04 5.85 -1.05 -3.34 115.31 120.17 1n7k h LEU 185 Ca 0.33 -0.74 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1n7k h LEU 185 Cb 0.17 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1n7k h LEU 185 CO -0.17 1.02 0.43 0.00 -0.34 0.00 0.00 178.44 179.38 1n7k h ALA 186 N 0.31 1.02 0.00 1.25 0.00 -0.52 -0.22 119.26 121.11 1n7k h ALA 186 Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1n7k h ALA 186 Cb 1.06 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1n7k h ALA 186 CO 0.07 0.54 0.00 0.66 0.00 0.00 0.00 179.25 180.52 1n7k h SER 187 N 1.11 0.00 0.00 0.00 4.64 -0.80 -1.35 113.55 117.15 1n7k h SER 187 Ca 0.28 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.22 1n7k h SER 187 Cb 0.05 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.07 1n7k h SER 187 CO -0.04 0.00 -2.45 0.18 -0.87 0.00 0.00 176.83 173.65 1n7k n LEU 188 N -2.94 2.97 -0.01 5.97 4.77 -0.81 -4.61 117.00 122.33 1n7k n LEU 188 Ca -0.03 -0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 55.66 1n7k n LEU 188 Cb 0.07 -0.89 -0.11 0.00 -2.33 0.00 0.00 43.42 40.15 1n7k n LEU 188 CO 0.18 0.93 0.32 0.00 -1.33 0.00 0.00 177.39 177.49 1n7k h ALA 189 N -0.01 0.06 -0.70 -1.18 0.00 -0.75 -3.37 119.26 113.30 1n7k h ALA 189 Ca -0.57 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 53.87 1n7k h ALA 189 Cb 1.88 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.64 1n7k h ALA 189 CO -0.09 0.23 0.42 0.87 0.00 0.00 0.00 179.25 180.67 1n7k h LYS 190 N -0.29 0.76 -0.02 0.00 1.57 -1.39 -1.38 116.57 115.82 1n7k h LYS 190 Ca -0.05 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1n7k h LYS 190 Cb 1.17 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 1n7k h LYS 190 CO 0.09 0.50 0.04 -1.35 -0.57 0.00 0.00 179.45 178.16 1n7k h PRO 191 N 0.78 0.00 -0.24 3.15 0.11 -1.78 0.12 132.00 134.14 1n7k h PRO 191 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1n7k h PRO 191 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1n7k h PRO 191 CO -0.16 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.91 1n7k n LEU 192 N -3.60 2.41 -0.33 2.35 4.77 -0.57 -4.94 117.00 117.09 1n7k n LEU 192 Ca -0.02 -1.01 -0.04 0.00 -0.03 0.00 0.00 56.01 54.91 1n7k n LEU 192 Cb 0.12 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1n7k n LEU 192 CO 0.25 0.50 -0.04 0.61 -1.33 0.00 0.00 177.39 177.38 1n7k n GLY 193 N 1.29 0.65 3.89 -0.72 0.00 0.41 -5.04 105.19 105.66 1n7k n GLY 193 Ca 0.17 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 1n7k n GLY 193 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n7k s MET 194 N -2.55 3.54 0.84 1.61 -1.94 -0.90 -5.01 119.30 114.88 1n7k s MET 194 Ca 0.00 -0.14 -0.12 0.00 -1.71 0.00 0.00 55.69 53.72 1n7k s MET 194 Cb 0.00 -3.09 0.09 0.00 2.01 0.00 0.00 34.83 33.84 1n7k s MET 194 CO 0.00 0.66 1.10 0.20 -0.01 0.00 0.00 175.02 176.97 1n7k s GLY 195 N -1.73 1.61 -0.06 -0.03 0.00 -0.54 -4.01 107.32 102.56 1n7k s GLY 195 Ca 0.27 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.76 1n7k s GLY 195 CO 0.16 0.22 -0.07 0.14 0.00 0.00 0.00 173.10 173.55 1n7k s VAL 196 N -3.14 0.76 -0.13 1.40 1.01 -1.26 -2.05 120.40 116.99 1n7k s VAL 196 Ca 0.62 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1n7k s VAL 196 Cb -0.15 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1n7k s VAL 196 CO 0.55 0.28 -0.16 -0.75 0.00 0.00 0.00 175.10 175.02 1n7k s LYS 197 N 0.97 3.29 -0.11 2.72 2.20 -0.58 0.46 119.74 128.69 1n7k s LYS 197 Ca -0.10 -0.74 -0.03 0.00 -0.36 0.00 0.00 55.97 54.75 1n7k s LYS 197 Cb -0.14 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.58 1n7k s LYS 197 CO 0.00 0.17 -0.01 0.00 -0.36 0.00 0.00 175.35 175.15 1n7k s ALA 198 N 0.44 3.19 0.02 3.13 0.00 -0.60 -1.28 121.76 126.66 1n7k s ALA 198 Ca -0.12 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 1n7k s ALA 198 Cb -0.16 -1.52 0.03 0.00 0.00 0.00 0.00 23.12 21.47 1n7k s ALA 198 CO 0.05 0.43 0.39 -1.12 0.00 0.00 0.00 175.76 175.52 1n7k s SER 199 N -0.38 -0.27 0.00 0.00 0.01 -1.24 -0.40 113.70 111.43 1n7k s SER 199 Ca 0.07 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1n7k s SER 199 Cb -0.12 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1n7k s SER 199 CO 0.02 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.67 1n7k n GLY 200 N 0.71 1.82 2.22 3.44 0.00 -1.26 -0.54 105.19 111.58 1n7k n GLY 200 Ca -0.19 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1n7k n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n7k n GLY 201 N 0.30 0.47 3.59 -0.02 0.00 -1.26 -2.37 105.19 105.90 1n7k n GLY 201 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1n7k n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n7k s ILE 202 N -2.01 4.01 0.00 -0.61 1.01 -1.26 -4.76 121.20 117.58 1n7k s ILE 202 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1n7k s ILE 202 Cb 0.00 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.97 1n7k s ILE 202 CO 0.00 -1.05 0.00 0.54 0.00 0.00 0.00 174.94 174.43 1n7k n ARG 203 N 8.19 1.12 -4.37 2.79 5.12 -1.26 -4.56 116.66 123.68 1n7k n ARG 203 Ca 0.13 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.81 1n7k n ARG 203 Cb 0.49 -0.96 -0.09 0.00 -1.16 0.00 0.00 32.46 30.74 1n7k n ARG 203 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1n7k s SER 204 N -2.05 4.10 0.29 0.55 0.01 -1.26 -3.79 113.70 111.55 1n7k s SER 204 Ca 0.00 -0.86 -0.01 0.00 1.31 0.00 0.00 55.95 56.38 1n7k s SER 204 Cb 0.00 -0.57 0.43 0.00 0.21 0.00 0.00 66.02 66.09 1n7k s SER 204 CO 0.00 -0.03 1.89 1.23 0.41 0.00 0.00 173.24 176.74 1n7k h GLY 205 N 2.02 0.99 0.99 3.44 0.00 -1.72 -1.67 103.07 107.12 1n7k h GLY 205 Ca -0.42 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.43 1n7k h GLY 205 CO 0.61 0.46 0.09 -2.22 0.00 0.00 0.00 176.54 175.48 1n7k h ILE 206 N 0.92 1.03 -0.64 2.60 1.08 -1.87 -0.58 117.51 120.04 1n7k h ILE 206 Ca 0.22 -0.06 0.10 0.00 -0.39 0.00 0.00 64.86 64.73 1n7k h ILE 206 Cb 0.12 0.83 -0.08 0.00 -3.07 0.00 0.00 36.82 34.63 1n7k h ILE 206 CO -0.03 0.03 0.24 0.44 -0.69 0.00 0.00 178.15 178.15 1n7k h ASP 207 N 0.18 0.24 -0.31 1.72 3.32 -1.78 -1.08 116.42 118.71 1n7k h ASP 207 Ca 0.05 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1n7k h ASP 207 Cb -0.02 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1n7k h ASP 207 CO -0.02 0.13 0.20 0.00 -1.72 0.00 0.00 179.24 177.83 1n7k h ALA 208 N 1.44 0.40 -0.55 3.45 0.00 -0.70 -2.09 119.26 121.21 1n7k h ALA 208 Ca 0.33 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1n7k h ALA 208 Cb 0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1n7k h ALA 208 CO -0.32 -0.11 0.08 0.28 0.00 0.00 0.00 179.25 179.17 1n7k h VAL 209 N 0.41 1.24 -0.45 0.00 2.07 -0.45 -2.18 116.25 116.89 1n7k h VAL 209 Ca 0.11 -0.94 -0.12 0.00 0.82 0.00 0.00 66.70 66.58 1n7k h VAL 209 Cb -0.01 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1n7k h VAL 209 CO -0.02 0.34 -0.18 -0.07 0.02 0.00 0.00 177.57 177.66 1n7k h LEU 210 N 0.83 0.89 -0.67 2.57 3.38 -1.07 -0.68 115.31 120.56 1n7k h LEU 210 Ca 0.17 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1n7k h LEU 210 Cb 0.39 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1n7k h LEU 210 CO 0.01 1.05 0.17 0.00 0.09 0.00 0.00 178.44 179.76 1n7k h ALA 211 N 1.02 0.89 -0.27 1.53 0.00 -1.12 -0.52 119.26 120.79 1n7k h ALA 211 Ca 0.11 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1n7k h ALA 211 Cb 0.72 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1n7k h ALA 211 CO 0.06 0.61 -0.15 0.28 0.00 0.00 0.00 179.25 180.04 1n7k h VAL 212 N 1.01 1.30 -0.02 0.00 2.07 -1.25 -0.81 116.25 118.55 1n7k h VAL 212 Ca 0.21 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1n7k h VAL 212 Cb 0.36 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1n7k h VAL 212 CO 0.00 0.39 0.01 1.23 0.02 0.00 0.00 177.57 179.23 1n7k h GLY 213 N 0.30 0.00 1.50 2.17 0.00 -0.89 0.62 103.07 106.77 1n7k h GLY 213 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1n7k h GLY 213 CO 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.50 1n7k n ALA 214 N -2.44 2.62 0.00 3.60 0.00 -0.22 -4.54 120.51 119.52 1n7k n ALA 214 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1n7k n ALA 214 Cb 0.10 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1n7k n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7k n GLY 215 N 1.38 0.97 3.73 0.00 0.00 0.21 -3.71 105.19 107.76 1n7k n GLY 215 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1n7k n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7k s ALA 216 N -1.63 3.43 -0.10 4.61 0.00 -0.35 -4.64 121.76 123.08 1n7k s ALA 216 Ca 0.00 0.92 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1n7k s ALA 216 Cb 0.00 -3.42 -0.24 0.00 0.00 0.00 0.00 23.12 19.46 1n7k s ALA 216 CO 0.00 -0.39 0.42 -0.25 0.00 0.00 0.00 175.76 175.55 1n7k n ASP 217 N 2.90 1.30 -4.30 0.00 9.92 0.17 -4.33 116.55 122.21 1n7k n ASP 217 Ca 0.06 0.25 -0.28 0.00 -0.53 0.00 0.00 54.79 54.29 1n7k n ASP 217 Cb 0.45 -0.25 -0.15 0.00 -0.64 0.00 0.00 41.12 40.54 1n7k n ASP 217 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1n7k s ILE 218 N -2.57 1.90 -0.24 0.53 1.09 -0.63 -4.81 121.20 116.48 1n7k s ILE 218 Ca -0.14 -1.27 -0.02 0.00 -1.10 0.00 0.00 60.65 58.12 1n7k s ILE 218 Cb 0.07 -1.63 0.02 0.00 -1.06 0.00 0.00 42.46 39.86 1n7k s ILE 218 CO 0.79 0.31 -0.07 -0.63 -0.10 0.00 0.00 174.94 175.24 1n7k s ILE 219 N -0.78 2.87 -0.14 2.92 -1.09 0.59 -1.56 121.20 124.02 1n7k s ILE 219 Ca 0.10 -0.99 -0.15 0.00 -2.23 0.00 0.00 60.65 57.38 1n7k s ILE 219 Cb -0.09 -2.44 -0.05 0.00 -1.58 0.00 0.00 42.46 38.30 1n7k s ILE 219 CO 0.02 0.23 0.34 -0.83 -1.23 0.00 0.00 174.94 173.46 1n7k s GLY 220 N 1.33 2.27 -0.24 6.18 0.00 0.46 -0.70 107.32 116.63 1n7k s GLY 220 Ca 0.01 -0.38 -0.26 0.00 0.00 0.00 0.00 44.72 44.08 1n7k s GLY 220 CO -0.05 0.48 0.81 -1.08 0.00 0.00 0.00 173.10 173.25 1n7k s THR 221 N 0.38 0.00 -2.40 0.90 -1.32 -1.18 -4.26 115.64 107.76 1n7k s THR 221 Ca 0.19 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.92 1n7k s THR 221 Cb -0.14 -1.00 0.52 0.00 -1.51 0.00 0.00 72.50 70.38 1n7k s THR 221 CO 0.06 0.00 1.68 -0.24 -2.21 0.00 0.00 174.62 173.91 1n7k n SER 222 N 2.23 1.53 -2.44 8.08 2.88 -1.26 -1.08 113.62 123.56 1n7k n SER 222 Ca -0.14 -1.57 -0.21 0.00 -1.33 0.00 0.00 58.87 55.62 1n7k n SER 222 Cb 0.56 -0.04 0.01 0.00 -0.75 0.00 0.00 64.21 63.99 1n7k n SER 222 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1n7k n SER 223 N 0.20 3.99 -0.01 -3.46 7.64 -1.26 -4.83 113.62 115.90 1n7k n SER 223 Ca 0.18 -3.44 -0.09 0.00 1.01 0.00 0.00 58.87 56.53 1n7k n SER 223 Cb 0.34 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 1n7k n SER 223 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n7k h ALA 224 N 2.57 -0.16 -0.54 -0.43 0.00 -1.91 0.86 119.26 119.65 1n7k h ALA 224 Ca 0.22 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1n7k h ALA 224 Cb 1.12 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1n7k h ALA 224 CO 0.73 -0.66 0.31 0.28 0.00 0.00 0.00 179.25 179.90 1n7k h VAL 225 N -0.26 1.03 -0.49 0.00 2.07 -1.94 -0.82 116.25 115.83 1n7k h VAL 225 Ca 0.10 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1n7k h VAL 225 Cb 0.42 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1n7k h VAL 225 CO -0.30 0.11 -0.10 0.11 0.02 0.00 0.00 177.57 177.41 1n7k h LYS 226 N 0.61 0.90 -0.57 1.57 1.57 -1.81 -0.34 116.57 118.51 1n7k h LYS 226 Ca 0.22 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1n7k h LYS 226 Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1n7k h LYS 226 CO -0.11 0.96 0.34 0.28 -0.57 0.00 0.00 179.45 180.35 1n7k h VAL 227 N 0.81 1.17 -0.31 0.50 2.07 -0.46 0.31 116.25 120.35 1n7k h VAL 227 Ca 0.13 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1n7k h VAL 227 Cb 0.63 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1n7k h VAL 227 CO 0.04 0.17 -0.06 0.25 0.02 0.00 0.00 177.57 178.00 1n7k h LEU 228 N 0.77 0.60 -0.82 2.57 7.12 -0.89 -0.82 115.31 123.84 1n7k h LEU 228 Ca 0.21 -0.35 -0.10 0.00 0.13 0.00 0.00 57.88 57.76 1n7k h LEU 228 Cb -0.02 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 39.93 1n7k h LEU 228 CO -0.04 0.81 -0.17 -0.33 -0.13 0.00 0.00 178.44 178.58 1n7k h GLU 229 N 0.37 0.70 0.00 1.25 4.39 -0.84 -2.25 114.58 118.21 1n7k h GLU 229 Ca 0.08 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 1n7k h GLU 229 Cb 0.54 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1n7k h GLU 229 CO 0.03 0.83 -0.35 1.03 -1.16 0.00 0.00 179.01 179.39 1n7k h SER 230 N 0.63 0.00 -0.22 1.42 0.87 -0.24 -0.97 113.55 115.04 1n7k h SER 230 Ca 0.10 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.60 1n7k h SER 230 Cb 0.64 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1n7k h SER 230 CO 0.04 0.35 -0.08 0.15 -0.53 0.00 0.00 176.83 176.76 1n7k h PHE 231 N 0.00 0.50 -0.53 2.24 3.57 -0.59 -3.23 116.94 118.91 1n7k h PHE 231 Ca -0.00 -0.12 -0.12 0.00 3.53 0.00 0.00 57.97 61.26 1n7k h PHE 231 Cb 0.63 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1n7k h PHE 231 CO 0.00 0.70 -0.14 0.87 -2.23 0.00 0.00 178.31 177.52 1n7k h LYS 232 N 0.16 1.03 -3.10 1.11 1.57 -1.03 -3.44 116.57 112.87 1n7k h LYS 232 Ca 0.05 -0.40 -0.25 0.00 -1.87 0.00 0.00 60.65 58.18 1n7k h LYS 232 Cb 0.56 -0.06 -0.33 0.00 0.08 0.00 0.00 32.23 32.48 1n7k h LYS 232 CO 0.03 1.09 -0.58 0.45 -0.57 0.00 0.00 179.45 179.86 1n7k s SER 233 N -6.67 0.24 0.19 0.86 0.15 -0.41 -5.05 113.70 103.02 1n7k s SER 233 Ca -0.12 0.39 -0.12 0.00 0.70 0.00 0.00 55.95 56.81 1n7k s SER 233 Cb 0.13 0.33 0.16 0.00 -1.71 0.00 0.00 66.02 64.93 1n7k s SER 233 CO 0.87 -0.20 1.80 0.25 1.20 0.00 0.00 173.24 177.15 1n7k h LEU 234 N 7.79 0.44 -0.94 3.45 5.85 -1.84 -3.36 115.31 126.71 1n7k h LEU 234 Ca -0.28 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1n7k h LEU 234 Cb 1.13 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1n7k h LEU 234 CO 0.27 0.30 0.00 1.33 -0.34 0.00 0.00 178.44 180.00