#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k7c s ASN 7 N 0.00 5.55 0.54 -3.46 2.20 -1.26 -4.78 114.94 113.73 3k7c s ASN 7 Ca 0.00 0.93 0.32 0.00 -0.94 0.00 0.00 52.86 53.17 3k7c s ASN 7 Cb 0.00 -1.84 1.45 0.00 -2.00 0.00 0.00 41.25 38.86 3k7c s ASN 7 CO 0.00 -1.18 2.03 1.55 -2.94 0.00 0.00 177.10 176.56 3k7c h PRO 8 N -0.40 0.00 -0.34 3.55 0.13 -1.99 -2.05 132.00 130.90 3k7c h PRO 8 Ca -0.45 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 3k7c h PRO 8 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3k7c h PRO 8 CO 0.62 0.08 -0.04 0.93 -0.23 0.00 0.00 178.00 179.36 3k7c h GLU 9 N 0.00 0.63 -0.20 0.86 3.07 -1.99 -1.13 114.58 115.83 3k7c h GLU 9 Ca -0.00 -0.22 -0.19 0.00 -0.50 0.00 0.00 59.36 58.45 3k7c h GLU 9 Cb 0.45 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3k7c h GLU 9 CO 0.01 0.78 -0.63 -0.44 -1.40 0.00 0.00 179.01 177.33 3k7c h ASP 10 N 0.43 0.80 -0.81 1.42 3.32 -1.87 -2.20 116.42 117.51 3k7c h ASP 10 Ca 0.09 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 3k7c h ASP 10 Cb 0.52 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3k7c h ASP 10 CO 0.03 1.23 0.44 0.25 -1.72 0.00 0.00 179.24 179.47 3k7c h LEU 11 N 0.52 1.01 -0.43 1.55 5.85 -1.39 -0.86 115.31 121.55 3k7c h LEU 11 Ca -0.01 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.50 3k7c h LEU 11 Cb 1.22 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3k7c h LEU 11 CO 0.13 0.82 -0.18 0.00 -0.34 0.00 0.00 178.44 178.87 3k7c h ALA 12 N 1.23 0.60 -0.32 1.25 0.00 -0.92 0.67 119.26 121.77 3k7c h ALA 12 Ca 0.28 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3k7c h ALA 12 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3k7c h ALA 12 CO -0.05 0.55 0.00 0.87 0.00 0.00 0.00 179.25 180.62 3k7c h LYS 13 N 0.71 0.56 -0.56 0.00 1.57 -1.32 -2.16 116.57 115.37 3k7c h LYS 13 Ca 0.10 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3k7c h LYS 13 Cb 0.74 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3k7c h LYS 13 CO 0.06 0.69 0.13 -0.91 -0.57 0.00 0.00 179.45 178.85 3k7c h ASN 14 N 0.36 0.86 -0.71 0.86 2.35 -1.06 0.34 115.58 118.58 3k7c h ASN 14 Ca 0.09 -0.24 0.08 0.00 -0.55 0.00 0.00 56.30 55.68 3k7c h ASN 14 Cb 0.44 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.52 3k7c h ASN 14 CO 0.02 0.87 0.38 0.15 -1.65 0.00 0.00 177.43 177.20 3k7c h PHE 15 N 0.81 0.68 0.09 1.19 3.57 -0.84 -0.08 116.94 122.36 3k7c h PHE 15 Ca 0.18 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 3k7c h PHE 15 Cb 0.35 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3k7c h PHE 15 CO 0.02 0.28 -0.04 1.15 -2.23 0.00 0.00 178.31 177.50 3k7c h THR 16 N 0.66 1.12 -0.55 4.41 2.02 -1.16 -0.73 112.91 118.68 3k7c h THR 16 Ca 0.34 -0.84 0.09 0.00 0.77 0.00 0.00 66.41 66.77 3k7c h THR 16 Cb 0.29 1.66 -0.11 0.00 -1.74 0.00 0.00 68.15 68.26 3k7c h THR 16 CO -0.23 0.20 -0.39 0.50 0.37 0.00 0.00 175.52 175.97 3k7c h LYS 17 N -0.51 -0.21 -0.52 6.66 3.64 -0.85 -1.17 116.57 123.61 3k7c h LYS 17 Ca -0.01 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3k7c h LYS 17 Cb 0.43 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3k7c h LYS 17 CO 0.02 -0.14 0.03 -0.44 -2.27 0.00 0.00 179.45 176.65 3k7c h ASP 18 N -0.22 0.81 0.10 4.20 3.32 -0.95 -0.59 116.42 123.09 3k7c h ASP 18 Ca 0.19 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.08 3k7c h ASP 18 Cb 0.56 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3k7c h ASP 18 CO -0.66 0.86 -0.34 0.25 -1.72 0.00 0.00 179.24 177.62 3k7c h LEU 19 N 0.79 -1.01 -1.00 1.55 5.85 -0.56 -2.08 115.31 118.87 3k7c h LEU 19 Ca 0.16 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 3k7c h LEU 19 Cb 0.43 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3k7c h LEU 19 CO 0.02 -0.42 -0.26 1.88 -0.34 0.00 0.00 178.44 179.31 3k7c h TYR 20 N -0.56 0.00 0.00 1.25 -1.99 -0.87 -2.28 116.97 112.53 3k7c h TYR 20 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 3k7c h TYR 20 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.33 3k7c h TYR 20 CO -0.32 0.26 0.00 -1.13 -0.00 0.00 0.00 178.16 176.98 3k7c n SER 21 N -3.40 0.07 0.00 3.88 3.41 -0.26 -4.23 113.62 113.09 3k7c n SER 21 Ca 0.00 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 3k7c n SER 21 Cb 0.46 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3k7c n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k7c n GLY 22 N 1.36 0.67 3.57 5.00 0.00 -0.86 -4.99 105.19 109.94 3k7c n GLY 22 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3k7c n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k7c s ASP 23 N -2.09 6.72 0.30 1.61 -1.08 -0.83 -4.79 116.67 116.51 3k7c s ASP 23 Ca 0.00 -2.10 -0.00 0.00 -0.52 0.00 0.00 52.55 49.93 3k7c s ASP 23 Cb 0.00 -2.57 0.48 0.00 -1.46 0.00 0.00 42.92 39.37 3k7c s ASP 23 CO 0.00 -1.29 1.90 0.74 0.52 0.00 0.00 175.17 177.04 3k7c h THR 24 N 6.00 1.20 -0.17 1.71 2.02 -1.94 -1.06 112.91 120.67 3k7c h THR 24 Ca 0.36 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3k7c h THR 24 Cb 0.92 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3k7c h THR 24 CO 1.44 0.25 -0.03 0.11 0.37 0.00 0.00 175.52 177.66 3k7c h LYS 25 N 0.85 0.32 -0.64 6.66 6.56 -1.98 -3.02 116.57 125.32 3k7c h LYS 25 Ca 0.21 -0.12 -0.09 0.00 -1.06 0.00 0.00 60.65 59.59 3k7c h LYS 25 Cb 0.12 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 3k7c h LYS 25 CO -0.02 0.58 0.05 0.77 -2.06 0.00 0.00 179.45 178.76 3k7c h SER 26 N 0.04 1.07 0.00 0.86 0.02 -1.91 -2.67 113.55 110.95 3k7c h SER 26 Ca 0.04 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3k7c h SER 26 Cb 0.45 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3k7c h SER 26 CO 0.01 1.09 0.00 0.52 -1.14 0.00 0.00 176.83 177.31 3k7c n VAL 27 N -4.20 0.00 0.00 2.27 0.31 -0.43 -2.87 118.33 113.41 3k7c n VAL 27 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3k7c n VAL 27 Cb 0.32 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 3k7c n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3k7c n SER 29 N 0.56 0.00 0.11 4.52 3.41 -1.01 -3.48 113.62 117.72 3k7c n SER 29 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 3k7c n SER 29 Cb 0.00 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.20 3k7c n SER 29 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3k7c h TYR 30 N 0.00 0.00 -3.45 7.33 -1.99 -1.85 -3.48 116.97 113.53 3k7c h TYR 30 Ca 0.00 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.19 3k7c h TYR 30 Cb 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 3k7c h TYR 30 CO 0.00 0.00 0.07 0.42 -0.00 0.00 0.00 178.16 178.65 3k7c s ILE 31 N -3.16 4.60 -0.44 -2.88 1.01 -1.23 -0.67 121.20 118.42 3k7c s ILE 31 Ca 0.07 1.31 -0.29 0.00 0.00 0.00 0.00 60.65 61.75 3k7c s ILE 31 Cb 0.11 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.69 3k7c s ILE 31 CO 0.67 0.36 1.27 -0.62 0.00 0.00 0.00 174.94 176.63 3k7c s ASP 32 N -1.42 6.49 -0.21 3.58 2.15 0.03 -4.82 116.67 122.46 3k7c s ASP 32 Ca 0.38 0.65 0.15 0.00 0.43 0.00 0.00 52.55 54.16 3k7c s ASP 32 Cb -0.19 -2.54 0.64 0.00 -0.30 0.00 0.00 42.92 40.53 3k7c s ASP 32 CO 0.21 -1.34 1.56 0.18 -0.17 0.00 0.00 175.17 175.61 3k7c n LEU 33 N 8.32 4.65 0.19 -1.34 4.77 -1.26 -4.67 117.00 127.66 3k7c n LEU 33 Ca 0.14 -3.04 0.03 0.00 -0.03 0.00 0.00 56.01 53.11 3k7c n LEU 33 Cb 0.48 -0.61 0.39 0.00 -2.33 0.00 0.00 43.42 41.36 3k7c n LEU 33 CO 0.71 0.70 0.76 0.77 -1.33 0.00 0.00 177.39 178.99 3k7c h SER 34 N 2.51 0.00 0.61 -1.43 4.64 -2.01 -2.61 113.55 115.25 3k7c h SER 34 Ca 0.03 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.19 3k7c h SER 34 Cb 1.69 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.77 3k7c h SER 34 CO 0.35 0.34 -0.73 -0.33 -0.87 0.00 0.00 176.83 175.59 3k7c h GLU 35 N 0.00 0.10 -5.07 4.77 3.07 -2.03 -3.39 114.58 112.04 3k7c h GLU 35 Ca -0.00 -0.09 -0.46 0.00 -0.50 0.00 0.00 59.36 58.31 3k7c h GLU 35 Cb 0.61 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3k7c h GLU 35 CO 0.04 0.79 1.54 0.00 -1.40 0.00 0.00 179.01 179.98 3k7c n ALA 36 N -2.43 2.34 0.08 3.43 0.00 -0.98 -4.75 120.51 118.19 3k7c n ALA 36 Ca -0.02 -3.11 -0.10 0.00 0.00 0.00 0.00 53.44 50.21 3k7c n ALA 36 Cb 0.71 -3.55 -0.03 0.00 0.00 0.00 0.00 19.45 16.58 3k7c n ALA 36 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3k7c h LYS 37 N 9.04 0.21 -6.59 0.00 6.56 -1.81 -3.41 116.57 120.57 3k7c h LYS 37 Ca 0.30 -0.25 -0.43 0.00 -1.06 0.00 0.00 60.65 59.21 3k7c h LYS 37 Cb 0.83 0.07 0.03 0.00 -0.57 0.00 0.00 32.23 32.59 3k7c h LYS 37 CO 1.53 0.99 -0.18 -1.54 -2.06 0.00 0.00 179.45 178.20 3k7c s SER 38 N -6.95 5.56 0.13 0.86 1.04 -1.26 -5.01 113.70 108.07 3k7c s SER 38 Ca -0.03 -0.21 -0.19 0.00 0.48 0.00 0.00 55.95 56.00 3k7c s SER 38 Cb 0.10 -0.84 -0.04 0.00 0.10 0.00 0.00 66.02 65.33 3k7c s SER 38 CO 0.84 -0.86 1.77 0.44 0.98 0.00 0.00 173.24 176.41 3k7c h ASP 39 N 0.45 0.31 -0.22 7.02 3.32 -2.00 -2.29 116.42 123.00 3k7c h ASP 39 Ca -0.42 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 3k7c h ASP 39 Cb 1.28 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 3k7c h ASP 39 CO 0.49 0.24 0.01 1.05 -1.72 0.00 0.00 179.24 179.31 3k7c h GLU 40 N 0.35 0.51 -0.46 3.56 9.09 -1.98 -0.36 114.58 125.29 3k7c h GLU 40 Ca 0.10 -0.10 -0.09 0.00 0.05 0.00 0.00 59.36 59.31 3k7c h GLU 40 Cb -0.02 -0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 26.99 3k7c h GLU 40 CO -0.02 0.53 -0.06 0.93 0.05 0.00 0.00 179.01 180.44 3k7c h GLU 41 N 0.49 0.86 -0.01 1.06 5.08 -1.89 -0.49 114.58 119.67 3k7c h GLU 41 Ca 0.11 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3k7c h GLU 41 Cb 0.31 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3k7c h GLU 41 CO 0.01 0.94 0.00 0.87 -1.00 0.00 0.00 179.01 179.83 3k7c h LYS 42 N 0.70 0.02 -0.40 2.33 1.57 -0.94 -1.61 116.57 118.24 3k7c h LYS 42 Ca 0.12 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 3k7c h LYS 42 Cb 0.59 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.81 3k7c h LYS 42 CO 0.04 0.20 -0.15 1.15 -0.57 0.00 0.00 179.45 180.12 3k7c h THR 43 N -0.16 0.51 -0.24 -0.16 2.02 -1.12 -0.08 112.91 113.68 3k7c h THR 43 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 3k7c h THR 43 Cb 0.19 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 3k7c h THR 43 CO -0.00 0.00 -0.18 0.15 0.37 0.00 0.00 175.52 175.86 3k7c h PHE 44 N -0.06 -0.47 -0.58 3.16 3.57 -0.91 0.15 116.94 121.81 3k7c h PHE 44 Ca 0.20 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 3k7c h PHE 44 Cb 0.36 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3k7c h PHE 44 CO -0.39 -0.26 0.19 0.28 -2.23 0.00 0.00 178.31 175.90 3k7c h VAL 45 N -0.18 1.24 -0.45 1.41 2.07 -0.93 -0.74 116.25 118.68 3k7c h VAL 45 Ca 0.13 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3k7c h VAL 45 Cb 0.38 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3k7c h VAL 45 CO -0.34 0.30 0.27 -1.28 0.02 0.00 0.00 177.57 176.54 3k7c h SER 46 N 0.82 0.44 0.27 0.57 0.87 -0.63 0.60 113.55 116.50 3k7c h SER 46 Ca 0.19 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3k7c h SER 46 Cb 0.27 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3k7c h SER 46 CO -0.01 0.32 -0.15 -0.78 -0.53 0.00 0.00 176.83 175.68 3k7c h ASP 47 N 0.55 -0.36 -0.41 6.23 1.82 -0.60 0.10 116.42 123.75 3k7c h ASP 47 Ca 0.18 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 3k7c h ASP 47 Cb -0.00 0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.09 3k7c h ASP 47 CO -0.07 -0.24 0.12 0.50 -1.61 0.00 0.00 179.24 177.94 3k7c h LYS 48 N -0.39 0.64 -0.83 0.28 1.63 -0.96 -1.64 116.57 115.30 3k7c h LYS 48 Ca -0.03 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.60 3k7c h LYS 48 Cb 0.31 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.81 3k7c h LYS 48 CO 0.05 0.64 0.41 0.82 -3.45 0.00 0.00 179.45 177.92 3k7c h ILE 49 N 0.52 1.25 -0.66 2.00 1.08 -0.80 0.18 117.51 121.09 3k7c h ILE 49 Ca 0.13 -0.70 0.07 0.00 -0.39 0.00 0.00 64.86 63.97 3k7c h ILE 49 Cb 0.27 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 34.14 3k7c h ILE 49 CO -0.00 0.30 0.34 0.74 -0.69 0.00 0.00 178.15 178.84 3k7c h THR 50 N 1.18 0.91 -0.19 -0.27 2.02 -0.35 0.57 112.91 116.77 3k7c h THR 50 Ca 0.29 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 3k7c h THR 50 Cb 0.10 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3k7c h THR 50 CO -0.04 0.11 -0.06 1.56 0.37 0.00 0.00 175.52 177.46 3k7c h GLN 51 N 0.62 0.39 -0.75 6.66 4.20 -0.63 -1.01 115.11 124.58 3k7c h GLN 51 Ca 0.31 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 3k7c h GLN 51 Cb 0.26 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3k7c h GLN 51 CO -0.22 0.66 0.27 0.28 -0.67 0.00 0.00 178.83 179.14 3k7c h VAL 52 N 0.09 1.26 0.31 -0.54 2.07 -0.78 -1.63 116.25 117.03 3k7c h VAL 52 Ca 0.05 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3k7c h VAL 52 Cb 0.52 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3k7c h VAL 52 CO 0.02 0.34 -0.15 0.58 0.02 0.00 0.00 177.57 178.39 3k7c h VAL 53 N 1.11 0.71 -0.82 2.57 2.07 -0.83 -0.40 116.25 120.65 3k7c h VAL 53 Ca 0.25 -0.50 0.19 0.00 0.82 0.00 0.00 66.70 67.46 3k7c h VAL 53 Cb 0.26 0.96 -0.12 0.00 -1.52 0.00 0.00 31.29 30.88 3k7c h VAL 53 CO -0.01 0.10 0.28 0.00 0.02 0.00 0.00 177.57 177.95 3k7c h ALA 54 N -0.12 1.19 0.13 1.67 0.00 -1.07 0.43 119.26 121.48 3k7c h ALA 54 Ca -0.04 0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.75 3k7c h ALA 54 Cb 0.48 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3k7c h ALA 54 CO 0.07 -0.34 -1.30 1.05 0.00 0.00 0.00 179.25 178.73 3k7c h GLU 55 N 0.33 0.27 -0.49 0.00 4.11 -1.25 -1.82 114.58 115.73 3k7c h GLU 55 Ca 0.49 -0.46 -0.07 0.00 0.07 0.00 0.00 59.36 59.39 3k7c h GLU 55 Cb 0.88 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3k7c h GLU 55 CO -0.53 1.20 0.03 -0.91 0.07 0.00 0.00 179.01 178.88 3k7c h ASN 56 N 0.07 0.76 -0.29 3.06 2.35 -0.62 -1.21 115.58 119.71 3k7c h ASN 56 Ca -0.16 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.39 3k7c h ASN 56 Cb 1.98 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 40.14 3k7c h ASN 56 CO 0.20 0.81 0.07 0.00 -1.65 0.00 0.00 177.43 176.86 3k7c h ALA 57 N 1.28 0.38 -0.74 -0.83 0.00 -0.91 -1.43 119.26 117.01 3k7c h ALA 57 Ca 0.15 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3k7c h ALA 57 Cb 0.41 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 3k7c h ALA 57 CO 0.01 0.04 0.33 0.00 0.00 0.00 0.00 179.25 179.64 3k7c h ALA 58 N 0.90 1.04 0.17 0.00 0.00 -1.07 -0.56 119.26 119.74 3k7c h ALA 58 Ca 0.09 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3k7c h ALA 58 Cb 0.29 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3k7c h ALA 58 CO 0.00 -0.14 -0.19 -0.22 0.00 0.00 0.00 179.25 178.70 3k7c h LYS 59 N 0.51 -0.39 -0.69 0.00 3.64 -1.00 -0.28 116.57 118.37 3k7c h LYS 59 Ca 0.39 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.94 3k7c h LYS 59 Cb 0.53 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.33 3k7c h LYS 59 CO -0.35 -0.26 0.14 0.00 -2.27 0.00 0.00 179.45 176.72 3k7c h ALA 60 N 0.36 0.84 -0.47 5.00 0.00 -0.64 -1.03 119.26 123.32 3k7c h ALA 60 Ca 0.01 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3k7c h ALA 60 Cb 0.39 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3k7c h ALA 60 CO -0.06 -0.33 0.15 0.87 0.00 0.00 0.00 179.25 179.88 3k7c h LYS 61 N 0.25 0.73 -1.93 0.00 1.57 -0.80 0.72 116.57 117.12 3k7c h LYS 61 Ca 0.38 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3k7c h LYS 61 Cb 0.61 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3k7c h LYS 61 CO -0.48 0.69 0.00 -2.13 -0.57 0.00 0.00 179.45 176.96 3k7c n ARG 62 N -4.53 0.00 -0.05 3.15 0.63 -0.14 -4.06 116.66 111.66 3k7c n ARG 62 Ca 0.01 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.99 3k7c n ARG 62 Cb 0.19 -1.40 0.06 0.00 0.45 0.00 0.00 32.46 31.76 3k7c n ARG 62 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k7c n GLY 64 N 1.22 3.59 0.00 5.14 0.00 -1.16 -5.06 105.19 108.93 3k7c n GLY 64 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3k7c n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k7c n GLY 65 N -0.90 -0.55 3.70 -0.02 0.00 0.25 -4.45 105.19 103.23 3k7c n GLY 65 Ca 0.07 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3k7c n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k7c s VAL 66 N -2.49 4.87 -0.10 1.61 1.01 -1.26 -0.56 120.40 123.48 3k7c s VAL 66 Ca 0.00 1.89 -0.08 0.00 0.00 0.00 0.00 61.98 63.79 3k7c s VAL 66 Cb 0.00 -4.25 -0.28 0.00 0.00 0.00 0.00 36.38 31.86 3k7c s VAL 66 CO 0.00 0.10 0.47 0.50 0.00 0.00 0.00 175.10 176.17 3k7c h LYS 67 N 6.97 0.31 -2.24 2.72 3.64 0.04 -3.44 116.57 124.57 3k7c h LYS 67 Ca -0.36 -0.52 0.02 0.00 -1.27 0.00 0.00 60.65 58.52 3k7c h LYS 67 Cb 1.18 0.19 -0.17 0.00 -0.41 0.00 0.00 32.23 33.02 3k7c h LYS 67 CO 0.80 1.24 0.34 0.34 -2.27 0.00 0.00 179.45 179.90 3k7c s ASP 68 N -7.12 -0.51 -0.07 4.20 -1.08 -0.92 -4.99 116.67 106.17 3k7c s ASP 68 Ca -0.20 0.29 0.02 0.00 -0.52 0.00 0.00 52.55 52.14 3k7c s ASP 68 Cb 0.06 0.47 0.01 0.00 -1.46 0.00 0.00 42.92 42.01 3k7c s ASP 68 CO 0.80 -0.65 -0.12 -0.63 0.52 0.00 0.00 175.17 175.08 3k7c s ILE 69 N -2.30 1.19 0.10 4.11 1.01 -1.26 -0.94 121.20 123.11 3k7c s ILE 69 Ca -0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 3k7c s ILE 69 Cb -0.01 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 3k7c s ILE 69 CO -0.02 0.37 0.01 -1.10 0.00 0.00 0.00 174.94 174.20 3k7c s GLN 70 N 0.78 0.81 -0.14 2.79 -0.21 0.70 -4.99 119.66 119.40 3k7c s GLN 70 Ca -0.12 -1.35 -0.04 0.00 0.02 0.00 0.00 55.36 53.87 3k7c s GLN 70 Cb -0.15 0.14 -0.03 0.00 1.00 0.00 0.00 33.01 33.97 3k7c s GLN 70 CO 0.02 -0.17 -0.02 0.42 -2.12 0.00 0.00 175.29 173.43 3k7c s ILE 71 N -3.93 4.09 -0.21 1.08 1.01 -1.26 0.44 121.20 122.43 3k7c s ILE 71 Ca 0.16 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.58 3k7c s ILE 71 Cb 0.07 -2.78 -0.17 0.00 0.01 0.00 0.00 42.46 39.60 3k7c s ILE 71 CO -0.03 0.52 -0.11 -0.62 0.00 0.00 0.00 174.94 174.69 3k7c n GLU 72 N 3.19 0.75 -3.90 2.79 1.02 0.13 -4.91 120.64 119.72 3k7c n GLU 72 Ca -0.17 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 56.96 3k7c n GLU 72 Cb 0.53 -1.44 -0.08 0.00 -0.02 0.00 0.00 31.44 30.42 3k7c n GLU 72 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3k7c s GLU 73 N -2.43 0.74 -0.18 3.49 0.41 -1.23 -4.99 118.70 114.49 3k7c s GLU 73 Ca -0.23 -0.88 -0.28 0.00 -0.41 0.00 0.00 54.97 53.17 3k7c s GLU 73 Cb 0.07 0.29 0.08 0.00 -1.78 0.00 0.00 34.13 32.79 3k7c s GLU 73 CO 0.57 -0.21 0.74 -1.59 -0.49 0.00 0.00 175.26 174.28 3k7c s LYS 74 N -3.37 0.89 -0.12 1.61 -2.85 -1.26 -1.29 119.74 113.34 3k7c s LYS 74 Ca 0.01 0.65 -0.02 0.00 -1.00 0.00 0.00 55.97 55.61 3k7c s LYS 74 Cb 0.03 0.42 0.04 0.00 -2.06 0.00 0.00 37.83 36.27 3k7c s LYS 74 CO -0.08 -0.19 0.02 0.99 0.10 0.00 0.00 175.35 176.19 3k7c s THR 75 N -0.30 0.37 -0.11 3.79 2.01 -0.06 -5.00 115.64 116.33 3k7c s THR 75 Ca -0.04 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 61.85 3k7c s THR 75 Cb -0.03 -0.70 0.02 0.00 0.01 0.00 0.00 72.50 71.80 3k7c s THR 75 CO 0.04 0.05 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.26 3k7c s ILE 76 N 1.95 1.42 0.48 1.82 1.01 -1.26 -0.98 121.20 125.64 3k7c s ILE 76 Ca 0.03 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.12 3k7c s ILE 76 Cb -0.14 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.03 3k7c s ILE 76 CO -0.06 0.43 0.20 -0.46 0.00 0.00 0.00 174.94 175.04 3k7c n ASN 77 N 4.40 2.90 -0.23 3.58 0.23 0.48 -5.02 115.26 121.61 3k7c n ASN 77 Ca -0.18 -2.84 0.09 0.00 -0.53 0.00 0.00 54.58 51.12 3k7c n ASN 77 Cb 0.51 0.13 0.37 0.00 -2.08 0.00 0.00 39.78 38.71 3k7c n ASN 77 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3k7c h LYS 78 N 0.00 0.70 0.00 -3.83 5.09 -2.02 -3.28 116.57 113.22 3k7c h LYS 78 Ca -0.34 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.35 3k7c h LYS 78 Cb 1.15 -0.16 0.00 0.00 0.10 0.00 0.00 32.23 33.32 3k7c h LYS 78 CO 0.56 0.46 -0.20 -0.40 -2.09 0.00 0.00 179.45 177.77 3k7c n ASP 79 N -4.51 0.78 -3.67 7.07 5.68 -1.26 -4.79 116.55 115.85 3k7c n ASP 79 Ca 0.14 -2.00 -0.13 0.00 -0.50 0.00 0.00 54.79 52.30 3k7c n ASP 79 Cb 0.35 -0.18 -0.06 0.00 -1.14 0.00 0.00 41.12 40.09 3k7c n ASP 79 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3k7c s SER 80 N -1.17 -0.27 -0.00 -1.12 1.04 -1.24 -1.70 113.70 109.24 3k7c s SER 80 Ca 0.07 -0.03 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 3k7c s SER 80 Cb 0.06 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.62 3k7c s SER 80 CO 0.01 -0.66 0.25 0.00 0.98 0.00 0.00 173.24 173.81 3k7c s ALA 81 N -2.51 -0.60 -0.14 5.32 0.00 -0.41 -0.38 121.76 123.03 3k7c s ALA 81 Ca -0.05 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.01 3k7c s ALA 81 Cb -0.01 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.27 3k7c s ALA 81 CO -0.03 -0.26 -0.02 0.21 0.00 0.00 0.00 175.76 175.66 3k7c s LYS 82 N -1.52 1.08 -0.15 0.00 2.20 -0.15 -1.45 119.74 119.75 3k7c s LYS 82 Ca -0.13 -0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.20 3k7c s LYS 82 Cb -0.05 -1.69 0.01 0.00 -1.51 0.00 0.00 37.83 34.59 3k7c s LYS 82 CO 0.02 -0.41 -0.20 0.42 -0.36 0.00 0.00 175.35 174.82 3k7c s ILE 83 N 1.78 1.92 -0.40 5.43 1.01 -0.22 -0.88 121.20 129.84 3k7c s ILE 83 Ca 0.02 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.54 3k7c s ILE 83 Cb -0.14 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.62 3k7c s ILE 83 CO -0.07 0.52 0.91 -0.60 0.00 0.00 0.00 174.94 175.70 3k7c s ARG 84 N 1.05 3.74 -0.22 2.79 3.52 -0.41 -0.01 118.95 129.41 3k7c s ARG 84 Ca -0.02 0.42 -0.12 0.00 -0.13 0.00 0.00 55.73 55.88 3k7c s ARG 84 Cb -0.14 -3.84 -0.05 0.00 -1.56 0.00 0.00 34.95 29.36 3k7c s ARG 84 CO -0.06 -1.02 0.22 0.08 -0.81 0.00 0.00 175.30 173.71 3k7c s VAL 85 N 3.52 5.33 -0.22 7.11 1.01 -0.47 -0.69 120.40 135.99 3k7c s VAL 85 Ca 0.37 0.33 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 3k7c s VAL 85 Cb -0.11 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 3k7c s VAL 85 CO 0.21 0.34 0.21 -0.22 0.00 0.00 0.00 175.10 175.64 3k7c s LEU 86 N 0.97 4.15 -0.15 3.92 2.96 0.17 -2.47 118.68 128.23 3k7c s LEU 86 Ca 0.11 0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 54.21 3k7c s LEU 86 Cb -0.13 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 3k7c s LEU 86 CO 0.04 0.06 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.44 3k7c s VAL 87 N 0.93 4.15 -0.18 1.68 1.01 0.01 -0.22 120.40 127.79 3k7c s VAL 87 Ca 0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 3k7c s VAL 87 Cb -0.13 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 3k7c s VAL 87 CO 0.04 0.51 -0.04 -0.76 0.00 0.00 0.00 175.10 174.85 3k7c s LEU 88 N 0.10 3.08 0.18 3.92 1.02 -0.11 -1.22 118.68 125.66 3k7c s LEU 88 Ca 0.01 -0.24 0.03 0.00 0.02 0.00 0.00 54.13 53.94 3k7c s LEU 88 Cb -0.13 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 3k7c s LEU 88 CO 0.02 0.09 0.33 -0.36 0.02 0.00 0.00 176.35 176.45 3k7c s PHE 89 N 0.82 3.48 0.43 0.29 0.08 -0.08 0.72 117.98 123.71 3k7c s PHE 89 Ca -0.01 0.12 0.25 0.00 0.12 0.00 0.00 56.93 57.41 3k7c s PHE 89 Cb -0.15 -1.67 1.37 0.00 -0.57 0.00 0.00 43.02 42.00 3k7c s PHE 89 CO 0.02 0.47 2.06 -0.91 -0.10 0.00 0.00 175.22 176.75 3k7c h ASN 90 N 1.83 0.00 0.00 1.36 2.35 -1.05 -0.20 115.58 119.88 3k7c h ASN 90 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3k7c h ASN 90 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3k7c h ASN 90 CO 0.66 0.13 0.00 -0.46 -1.65 0.00 0.00 177.43 176.11 3k7c n ASN 91 N -3.78 0.00 0.00 5.81 6.94 -1.26 -4.84 115.26 118.12 3k7c n ASN 91 Ca -0.02 -0.77 0.00 0.00 -0.02 0.00 0.00 54.58 53.77 3k7c n ASN 91 Cb 0.24 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 3k7c n ASN 91 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3k7c n ASP 92 N -0.91 -0.21 -4.82 0.53 2.03 -0.09 -5.04 116.55 108.05 3k7c n ASP 92 Ca 0.13 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.09 3k7c n ASP 92 Cb 0.06 -0.04 -0.07 0.00 -0.72 0.00 0.00 41.12 40.36 3k7c n ASP 92 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3k7c s ASN 93 N -2.90 7.01 0.07 1.67 -0.87 -1.26 -4.89 114.94 113.78 3k7c s ASN 93 Ca 0.00 1.59 0.06 0.00 -1.57 0.00 0.00 52.86 52.93 3k7c s ASN 93 Cb 0.00 -2.49 -0.03 0.00 -0.02 0.00 0.00 41.25 38.71 3k7c s ASN 93 CO 0.00 -0.19 -0.15 0.20 -2.57 0.00 0.00 177.10 174.38 3k7c s ASN 94 N -1.99 1.81 0.00 -1.22 0.01 -1.26 -0.90 114.94 111.39 3k7c s ASN 94 Ca 0.54 -0.59 0.01 0.00 -0.71 0.00 0.00 52.86 52.12 3k7c s ASN 94 Cb -0.13 -0.08 -0.01 0.00 0.41 0.00 0.00 41.25 41.45 3k7c s ASN 94 CO 0.18 -0.03 -0.04 -1.10 -1.51 0.00 0.00 177.10 174.60 3k7c s GLN 95 N -1.61 0.35 0.09 -0.60 -0.21 -0.35 -4.99 119.66 112.35 3k7c s GLN 95 Ca 0.00 -0.22 0.06 0.00 0.02 0.00 0.00 55.36 55.22 3k7c s GLN 95 Cb -0.09 -0.31 -0.03 0.00 1.00 0.00 0.00 33.01 33.58 3k7c s GLN 95 CO 0.02 0.08 -0.16 -1.54 -2.12 0.00 0.00 175.29 171.57 3k7c s SER 96 N -0.28 2.00 0.23 5.90 1.04 -1.26 -0.81 113.70 120.52 3k7c s SER 96 Ca -0.00 -0.69 -0.22 0.00 0.48 0.00 0.00 55.95 55.52 3k7c s SER 96 Cb -0.03 -0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.05 3k7c s SER 96 CO -0.00 -0.06 0.70 -0.94 0.98 0.00 0.00 173.24 173.93 3k7c s SER 97 N -1.98 -0.35 0.09 7.02 1.04 -1.03 -5.00 113.70 113.48 3k7c s SER 97 Ca 0.03 -0.39 -0.23 0.00 0.48 0.00 0.00 55.95 55.84 3k7c s SER 97 Cb -0.09 0.67 -0.07 0.00 0.10 0.00 0.00 66.02 66.63 3k7c s SER 97 CO 0.03 -1.19 0.70 0.20 0.98 0.00 0.00 173.24 173.96 3k7c s ASN 98 N -2.86 7.21 -0.17 7.02 0.01 -1.26 -1.37 114.94 123.52 3k7c s ASN 98 Ca 0.08 1.43 -0.04 0.00 -0.71 0.00 0.00 52.86 53.62 3k7c s ASN 98 Cb -0.04 -2.44 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 3k7c s ASN 98 CO 0.00 0.16 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.04 3k7c s VAL 99 N -0.74 3.93 -0.19 1.60 1.01 0.99 -4.94 120.40 122.06 3k7c s VAL 99 Ca 0.34 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 3k7c s VAL 99 Cb -0.21 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 3k7c s VAL 99 CO 0.22 0.47 0.11 -0.36 0.00 0.00 0.00 175.10 175.55 3k7c s PHE 100 N 0.59 3.38 0.05 5.22 0.40 -1.26 -1.05 117.98 125.31 3k7c s PHE 100 Ca -0.02 0.28 0.05 0.00 -0.60 0.00 0.00 56.93 56.64 3k7c s PHE 100 Cb -0.14 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.23 3k7c s PHE 100 CO 0.02 0.28 -0.15 -0.51 0.70 0.00 0.00 175.22 175.56 3k7c s LEU 101 N 0.30 2.21 0.10 -0.37 1.02 -0.53 -0.24 118.68 121.17 3k7c s LEU 101 Ca 0.07 -0.53 0.10 0.00 0.02 0.00 0.00 54.13 53.80 3k7c s LEU 101 Cb -0.11 -0.62 -0.04 0.00 0.02 0.00 0.00 46.19 45.44 3k7c s LEU 101 CO -0.01 0.01 -0.26 0.00 0.02 0.00 0.00 176.35 176.11 3k7c s ALA 102 N -1.00 2.23 -0.48 4.21 0.00 -0.53 -1.29 121.76 124.90 3k7c s ALA 102 Ca 0.01 -1.36 -0.17 0.00 0.00 0.00 0.00 51.96 50.44 3k7c s ALA 102 Cb -0.09 -0.38 0.06 0.00 0.00 0.00 0.00 23.12 22.71 3k7c s ALA 102 CO 0.02 0.50 0.49 0.21 0.00 0.00 0.00 175.76 176.99 3k7c s LYS 103 N -1.77 3.05 0.00 0.00 2.20 -0.69 -0.51 119.74 122.03 3k7c s LYS 103 Ca 0.12 -1.09 0.05 0.00 -0.36 0.00 0.00 55.97 54.70 3k7c s LYS 103 Cb -0.10 -4.10 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 3k7c s LYS 103 CO 0.04 -1.08 -0.16 0.15 -0.36 0.00 0.00 175.35 173.94 3k7c s LYS 104 N 2.11 2.28 6.89 4.03 1.02 -1.11 -4.85 119.74 130.11 3k7c s LYS 104 Ca 0.10 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.24 3k7c s LYS 104 Cb -0.21 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 3k7c s LYS 104 CO 0.10 0.58 0.00 -3.47 -0.92 0.00 0.00 175.35 171.63 3k7c n ASP 105 N 1.86 0.00 -0.66 2.83 -0.08 -1.26 -3.06 116.55 116.19 3k7c n ASP 105 Ca -0.16 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.20 3k7c n ASP 105 Cb 0.52 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.06 3k7c n ASP 105 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3k7c n ARG 106 N 14.00 1.33 -4.10 -0.67 3.00 -1.26 -5.01 116.66 123.96 3k7c n ARG 106 Ca 0.00 -1.51 -0.35 0.00 -0.01 0.00 0.00 57.85 55.97 3k7c n ARG 106 Cb 0.00 -1.31 -0.08 0.00 0.00 0.00 0.00 32.46 31.07 3k7c n ARG 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 3k7c s LYS 107 N -1.29 3.46 0.31 5.56 -2.85 -1.17 -5.07 119.74 118.69 3k7c s LYS 107 Ca 0.20 -0.30 -0.29 0.00 -1.00 0.00 0.00 55.97 54.58 3k7c s LYS 107 Cb 0.13 -3.05 -0.10 0.00 -2.06 0.00 0.00 37.83 32.75 3k7c s LYS 107 CO 0.20 0.58 1.29 -1.58 0.10 0.00 0.00 175.35 175.94 3k7c s TRP 108 N -0.51 3.13 0.01 1.78 0.52 -1.26 -2.74 118.94 119.86 3k7c s TRP 108 Ca 0.10 1.41 -0.01 0.00 0.02 0.00 0.00 56.10 57.62 3k7c s TRP 108 Cb -0.12 -3.63 -0.01 0.00 -1.15 0.00 0.00 33.47 28.56 3k7c s TRP 108 CO 0.02 -1.74 0.01 -0.51 0.02 0.00 0.00 176.95 174.74 3k7c s LEU 109 N -1.54 2.05 0.10 2.99 1.43 0.33 -4.98 118.68 119.05 3k7c s LEU 109 Ca 0.50 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 3k7c s LEU 109 Cb -0.39 0.17 -0.06 0.00 0.03 0.00 0.00 46.19 45.93 3k7c s LEU 109 CO 0.50 -0.21 1.20 -0.69 0.23 0.00 0.00 176.35 177.37 3k7c s VAL 110 N -0.96 3.89 0.13 -1.59 1.01 0.16 -1.45 120.40 121.59 3k7c s VAL 110 Ca -0.11 1.42 -0.14 0.00 0.00 0.00 0.00 61.98 63.16 3k7c s VAL 110 Cb -0.06 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 3k7c s VAL 110 CO -0.00 0.15 0.53 -0.76 0.00 0.00 0.00 175.10 175.01 3k7c s LEU 111 N 0.67 4.36 -0.30 3.92 1.43 0.67 -0.78 118.68 128.64 3k7c s LEU 111 Ca 0.57 1.05 -0.27 0.00 -1.03 0.00 0.00 54.13 54.45 3k7c s LEU 111 Cb -0.30 -3.18 0.01 0.00 0.03 0.00 0.00 46.19 42.75 3k7c s LEU 111 CO 0.31 0.13 0.96 -0.76 0.23 0.00 0.00 176.35 177.23 3k7c s LEU 112 N -1.86 4.01 0.00 1.79 1.43 -1.26 -4.61 118.68 118.18 3k7c s LEU 112 Ca 0.36 0.95 0.30 0.00 -1.03 0.00 0.00 54.13 54.71 3k7c s LEU 112 Cb -0.15 -3.37 1.47 0.00 0.03 0.00 0.00 46.19 44.17 3k7c s LEU 112 CO 0.19 -0.75 1.98 0.29 0.23 0.00 0.00 176.35 178.29