#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hly n TYR 1 N 0.00 0.00 -3.86 1.61 4.01 -1.26 -5.04 117.16 112.62 2hly n TYR 1 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 2hly n TYR 1 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 2hly n TYR 1 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 2hly s PHE 2 N -0.25 0.09 -0.48 -0.72 -0.12 -1.26 -5.11 117.98 110.13 2hly s PHE 2 Ca 0.00 -0.46 -0.19 0.00 -0.05 0.00 0.00 56.93 56.24 2hly s PHE 2 Cb 0.00 0.31 0.05 0.00 -0.63 0.00 0.00 43.02 42.75 2hly s PHE 2 CO 0.00 -0.96 0.60 -2.00 -0.05 0.00 0.00 175.22 172.81 2hly s GLU 3 N -3.94 3.15 -0.03 1.99 2.12 -1.26 -4.92 118.70 115.80 2hly s GLU 3 Ca 0.15 -0.78 0.13 0.00 0.36 0.00 0.00 54.97 54.83 2hly s GLU 3 Cb -0.01 -4.05 -0.22 0.00 0.26 0.00 0.00 34.13 30.11 2hly s GLU 3 CO 0.03 -1.13 0.67 0.41 -0.54 0.00 0.00 175.26 174.70 2hly n GLY 4 N 5.14 -1.02 3.80 -1.50 0.00 -1.26 -4.92 105.19 105.43 2hly n GLY 4 Ca -0.06 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2hly n GLY 4 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hly s MET 5 N -2.63 2.51 0.16 1.61 -1.94 -1.26 -4.96 119.30 112.79 2hly s MET 5 Ca -0.04 0.90 -0.14 0.00 -1.71 0.00 0.00 55.69 54.70 2hly s MET 5 Cb 0.08 -1.95 0.05 0.00 2.01 0.00 0.00 34.83 35.03 2hly s MET 5 CO 0.82 -1.39 1.75 1.25 -0.01 0.00 0.00 175.02 177.45 2hly h LEU 6 N -0.93 0.67 -8.14 -0.03 5.85 -1.96 -3.42 115.31 107.35 2hly h LEU 6 Ca -0.45 -0.12 -0.46 0.00 0.84 0.00 0.00 57.88 57.69 2hly h LEU 6 Cb 1.23 -0.17 -0.29 0.00 0.37 0.00 0.00 40.66 41.80 2hly h LEU 6 CO 0.56 0.60 -0.80 0.27 -0.34 0.00 0.00 178.44 178.73 2hly s ILE 7 N -5.76 1.00 0.56 4.05 -4.36 -1.26 -5.11 121.20 110.33 2hly s ILE 7 Ca -0.13 -0.53 -0.21 0.00 -0.26 0.00 0.00 60.65 59.52 2hly s ILE 7 Cb 0.12 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.94 2hly s ILE 7 CO 0.76 0.29 1.30 0.29 0.24 0.00 0.00 174.94 177.83 2hly n LYS 8 N 2.87 1.52 -0.21 0.37 5.02 -1.26 -4.77 118.16 121.69 2hly n LYS 8 Ca -0.15 0.56 0.01 0.00 -2.02 0.00 0.00 58.31 56.72 2hly n LYS 8 Cb 0.55 -2.52 0.13 0.00 -0.02 0.00 0.00 35.03 33.17 2hly n LYS 8 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2hly h GLN 9 N 1.20 0.34 -0.39 1.97 4.15 -1.99 0.28 115.11 120.67 2hly h GLN 9 Ca -0.50 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 58.86 2hly h GLN 9 Cb 1.32 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.91 2hly h GLN 9 CO 0.56 0.22 0.09 0.00 -1.93 0.00 0.00 178.83 177.78 2hly h THR 10 N 0.35 1.18 -0.00 2.39 1.03 -1.99 -1.29 112.91 114.57 2hly h THR 10 Ca 0.33 -0.64 -0.22 0.00 -0.01 0.00 0.00 66.41 65.88 2hly h THR 10 Cb 0.47 0.78 -0.00 0.00 -1.07 0.00 0.00 68.15 68.33 2hly h THR 10 CO -0.37 0.23 -0.91 0.44 -0.01 0.00 0.00 175.52 174.90 2hly h ASP 11 N 0.57 0.47 -0.44 0.00 3.32 -1.58 -1.53 116.42 117.23 2hly h ASP 11 Ca 0.13 -0.37 0.06 0.00 0.02 0.00 0.00 57.03 56.87 2hly h ASP 11 Cb 0.22 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 2hly h ASP 11 CO -0.00 1.17 0.16 0.22 -1.72 0.00 0.00 179.24 179.06 2hly h TYR 12 N 0.21 0.28 -0.55 4.55 3.20 -0.47 -0.92 116.97 123.27 2hly h TYR 12 Ca -0.07 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 2hly h TYR 12 Cb 1.54 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.73 2hly h TYR 12 CO 0.05 0.10 0.08 0.74 -1.64 0.00 0.00 178.16 177.50 2hly h PHE 13 N 0.33 0.92 -0.75 -3.82 0.04 -1.04 -1.20 116.94 111.41 2hly h PHE 13 Ca 0.21 -0.11 0.07 0.00 2.80 0.00 0.00 57.97 60.94 2hly h PHE 13 Cb 0.20 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.03 2hly h PHE 13 CO -0.15 0.79 0.42 0.00 -0.60 0.00 0.00 178.31 178.77 2hly h ARG 14 N 0.83 0.72 -0.11 1.51 3.08 -0.76 0.80 114.38 120.45 2hly h ARG 14 Ca 0.17 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2hly h ARG 14 Cb 0.38 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 2hly h ARG 14 CO 0.01 0.48 0.01 0.82 -1.07 0.00 0.00 179.97 180.21 2hly h ILE 15 N 0.75 1.24 -0.36 2.04 2.04 -0.66 -0.43 117.51 122.12 2hly h ILE 15 Ca 0.35 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.50 2hly h ILE 15 Cb 0.26 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 2hly h ILE 15 CO -0.21 0.22 0.02 0.22 0.00 0.00 0.00 178.15 178.40 2hly h TYR 16 N -0.06 0.02 -0.62 1.37 3.20 -1.02 -1.67 116.97 118.18 2hly h TYR 16 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2hly h TYR 16 Cb 0.33 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 2hly h TYR 16 CO 0.03 -0.05 0.40 -0.09 -1.64 0.00 0.00 178.16 176.81 2hly h ARG 17 N 0.12 0.83 0.10 1.82 2.43 -0.52 0.65 114.38 119.81 2hly h ARG 17 Ca 0.18 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2hly h ARG 17 Cb 0.23 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2hly h ARG 17 CO -0.28 0.57 -0.06 0.28 -1.51 0.00 0.00 179.97 178.97 2hly h VAL 18 N 0.84 0.87 -0.42 0.20 2.07 -0.77 -0.49 116.25 118.55 2hly h VAL 18 Ca 0.23 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.68 2hly h VAL 18 Cb -0.07 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2hly h VAL 18 CO -0.05 0.00 -0.00 0.40 0.02 0.00 0.00 177.57 177.94 2hly h ILE 19 N -0.16 1.26 -0.96 4.57 2.04 -1.05 -2.32 117.51 120.90 2hly h ILE 19 Ca -0.01 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 64.85 2hly h ILE 19 Cb 0.13 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2hly h ILE 19 CO 0.01 0.35 0.63 -1.13 0.00 0.00 0.00 178.15 178.01 2hly h ASN 20 N 0.58 1.06 -0.44 1.72 -1.24 -0.76 -1.27 115.58 115.23 2hly h ASN 20 Ca 0.12 -0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.05 2hly h ASN 20 Cb 0.49 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 2hly h ASN 20 CO 0.02 0.74 0.06 0.28 -1.29 0.00 0.00 177.43 177.24 2hly h SER 21 N 1.23 0.77 0.94 1.15 0.02 -0.74 -0.97 113.55 115.96 2hly h SER 21 Ca 0.37 -0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 61.03 2hly h SER 21 Cb -0.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2hly h SER 21 CO -0.11 0.80 -0.64 -0.07 -1.14 0.00 0.00 176.83 175.67 2hly h LEU 22 N 0.77 0.00 0.00 5.07 3.38 -0.90 -3.33 115.31 120.31 2hly h LEU 22 Ca 0.16 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 2hly h LEU 22 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2hly h LEU 22 CO 0.01 0.64 -1.37 -0.07 0.09 0.00 0.00 178.44 177.74 2hly h LEU 23 N 0.00 0.00 -1.24 1.67 -0.00 -0.88 -3.41 115.31 111.45 2hly h LEU 23 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 58.00 2hly h LEU 23 Cb 1.28 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.87 2hly h LEU 23 CO 0.08 0.71 0.57 -0.29 -0.00 0.00 0.00 178.44 179.52 2hly h ILE 24 N 0.00 0.89 0.00 1.22 6.09 -1.29 -0.11 117.51 124.31 2hly h ILE 24 Ca -0.17 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 2hly h ILE 24 Cb 1.69 0.04 0.00 0.00 0.47 0.00 0.00 36.82 39.02 2hly h ILE 24 CO 0.06 0.14 0.00 0.77 -3.07 0.00 0.00 178.15 176.06 2hly h SER 25 N 0.79 0.00 1.96 2.19 4.64 -1.83 -2.86 113.55 118.44 2hly h SER 25 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2hly h SER 25 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2hly h SER 25 CO -0.20 0.00 0.00 -0.61 -0.87 0.00 0.00 176.83 175.15 2hly h GLN 26 N 0.00 0.00 -6.77 4.77 4.15 -1.30 -3.48 115.11 112.49 2hly h GLN 26 Ca 0.00 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.86 2hly h GLN 26 Cb 0.36 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.95 2hly h GLN 26 CO 0.00 0.00 -0.94 -1.71 -1.93 0.00 0.00 178.83 174.25 2hly n ASN 27 N -3.06 -0.53 -4.77 -0.69 5.15 -1.08 -4.92 115.26 105.37 2hly n ASN 27 Ca 0.04 -1.15 -0.38 0.00 -0.60 0.00 0.00 54.58 52.49 2hly n ASN 27 Cb 0.52 -2.32 -0.01 0.00 -0.53 0.00 0.00 39.78 37.44 2hly n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hly s ALA 28 N -4.06 3.05 0.82 5.20 0.00 -1.26 -5.04 121.76 120.47 2hly s ALA 28 Ca 0.09 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.95 2hly s ALA 28 Cb -0.04 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.76 2hly s ALA 28 CO 0.94 -0.69 1.10 0.16 0.00 0.00 0.00 175.76 177.26 2hly s ASP 29 N -1.19 4.01 0.29 0.00 1.47 -1.26 -4.70 116.67 115.30 2hly s ASP 29 Ca 0.61 1.81 0.04 0.00 1.18 0.00 0.00 52.55 56.19 2hly s ASP 29 Cb -0.31 -2.46 0.67 0.00 -0.34 0.00 0.00 42.92 40.48 2hly s ASP 29 CO 0.39 -2.35 1.78 -0.65 0.68 0.00 0.00 175.17 175.02 2hly h PRO 30 N -1.35 0.77 -0.07 2.11 0.11 -1.97 0.13 132.00 131.73 2hly h PRO 30 Ca -0.45 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2hly h PRO 30 Cb 1.25 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2hly h PRO 30 CO 0.50 0.51 -0.02 0.00 -0.21 0.00 0.00 178.00 178.78 2hly h ALA 31 N 1.61 0.10 -0.51 -0.75 0.00 -1.74 -1.43 119.26 116.54 2hly h ALA 31 Ca 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2hly h ALA 31 Cb 0.79 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2hly h ALA 31 CO -0.36 -0.18 0.27 0.77 0.00 0.00 0.00 179.25 179.76 2hly h SER 32 N -0.19 0.64 -0.62 0.00 0.02 -1.81 -2.01 113.55 109.58 2hly h SER 32 Ca 0.02 -0.10 0.11 0.00 -0.84 0.00 0.00 61.79 60.98 2hly h SER 32 Cb 0.41 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 62.71 2hly h SER 32 CO 0.01 0.55 0.19 0.00 -1.14 0.00 0.00 176.83 176.44 2hly h ALA 33 N 1.11 0.79 -0.21 3.77 0.00 -0.67 -0.82 119.26 123.24 2hly h ALA 33 Ca 0.18 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2hly h ALA 33 Cb 0.06 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2hly h ALA 33 CO -0.03 -0.25 -0.09 0.66 0.00 0.00 0.00 179.25 179.54 2hly h SER 34 N 0.34 0.30 -0.72 0.00 4.64 -0.75 -0.31 113.55 117.06 2hly h SER 34 Ca 0.33 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 2hly h SER 34 Cb 0.45 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 2hly h SER 34 CO -0.36 0.44 0.27 0.24 -0.87 0.00 0.00 176.83 176.54 2hly h MET 35 N 0.31 1.10 -0.10 4.77 2.86 -0.46 -0.29 114.93 123.13 2hly h MET 35 Ca 0.06 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 2hly h MET 35 Cb 0.36 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2hly h MET 35 CO 0.02 0.91 -0.25 1.88 1.06 0.00 0.00 176.91 180.53 2hly h TYR 36 N 1.07 0.43 -0.82 -0.22 0.05 -0.68 -1.90 116.97 114.90 2hly h TYR 36 Ca 0.24 -0.17 0.04 0.00 0.05 0.00 0.00 58.73 58.90 2hly h TYR 36 Cb 0.24 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 37.85 2hly h TYR 36 CO 0.02 0.86 0.52 0.74 -1.05 0.00 0.00 178.16 179.25 2hly h PHE 37 N -0.12 0.97 0.09 4.88 0.04 -0.98 -0.20 116.94 121.61 2hly h PHE 37 Ca -0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 2hly h PHE 37 Cb 0.86 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2hly h PHE 37 CO 0.11 0.53 -0.04 0.66 -0.60 0.00 0.00 178.31 178.97 2hly h SER 38 N 0.98 -0.10 -0.29 2.17 4.64 -1.08 -1.07 113.55 118.81 2hly h SER 38 Ca 0.34 -0.44 -0.08 0.00 -0.47 0.00 0.00 61.79 61.14 2hly h SER 38 Cb 0.07 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2hly h SER 38 CO -0.14 0.43 -0.12 0.71 -0.87 0.00 0.00 176.83 176.84 2hly h THR 39 N -0.67 1.29 -0.57 2.95 1.35 -1.32 0.33 112.91 116.27 2hly h THR 39 Ca -0.01 -1.20 -0.11 0.00 -0.55 0.00 0.00 66.41 64.55 2hly h THR 39 Cb 0.54 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 2hly h THR 39 CO 0.02 0.38 -0.06 -0.26 -0.25 0.00 0.00 175.52 175.35 2hly h PHE 40 N 0.35 1.16 -0.17 4.73 -1.00 -1.14 -0.82 116.94 120.04 2hly h PHE 40 Ca 0.07 -0.22 0.01 0.00 2.81 0.00 0.00 57.97 60.64 2hly h PHE 40 Cb 0.63 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 2hly h PHE 40 CO 0.06 1.05 0.07 0.78 -1.61 0.00 0.00 178.31 178.66 2hly h GLY 41 N 0.94 0.22 0.77 -1.45 0.00 -1.11 -0.68 103.07 101.75 2hly h GLY 41 Ca 0.15 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.49 2hly h GLY 41 CO 0.04 0.04 0.51 0.00 0.00 0.00 0.00 176.54 177.13 2hly h ALA 42 N 1.10 1.11 -0.38 3.60 0.00 -0.81 0.02 119.26 123.90 2hly h ALA 42 Ca 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2hly h ALA 42 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2hly h ALA 42 CO -0.07 0.28 0.14 0.35 0.00 0.00 0.00 179.25 179.95 2hly h PHE 43 N 0.96 0.59 -0.72 0.00 3.57 -0.83 0.30 116.94 120.81 2hly h PHE 43 Ca 0.35 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 2hly h PHE 43 Cb 0.12 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 2hly h PHE 43 CO -0.03 0.55 0.37 0.82 -2.23 0.00 0.00 178.31 177.78 2hly h ILE 44 N 0.47 1.23 -0.49 1.41 2.04 -0.72 -0.21 117.51 121.25 2hly h ILE 44 Ca 0.13 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2hly h ILE 44 Cb 0.22 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2hly h ILE 44 CO -0.01 0.26 0.23 -0.07 0.00 0.00 0.00 178.15 178.56 2hly h LEU 45 N 1.00 0.64 -0.35 1.44 3.38 -0.60 0.88 115.31 121.71 2hly h LEU 45 Ca 0.25 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2hly h LEU 45 Cb 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2hly h LEU 45 CO -0.04 0.60 0.15 1.56 0.09 0.00 0.00 178.44 180.80 2hly h GLN 46 N 0.64 0.30 0.04 1.13 4.20 -0.61 -0.26 115.11 120.56 2hly h GLN 46 Ca 0.17 -0.02 -0.25 0.00 0.06 0.00 0.00 58.65 58.61 2hly h GLN 46 Cb 0.13 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 27.85 2hly h GLN 46 CO -0.02 0.20 -1.04 1.96 -0.67 0.00 0.00 178.83 179.26 2hly h GLN 47 N 0.31 0.42 0.00 1.46 1.08 -0.76 -2.86 115.11 114.77 2hly h GLN 47 Ca 0.15 -0.51 -0.13 0.00 -1.45 0.00 0.00 58.65 56.72 2hly h GLN 47 Cb 0.10 0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2hly h GLN 47 CO -0.14 1.17 -2.03 0.72 -0.95 0.00 0.00 178.83 177.60 2hly n HIS 48 N -3.72 0.00 0.21 2.96 8.25 0.28 -4.63 115.22 118.57 2hly n HIS 48 Ca -0.08 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.40 2hly n HIS 48 Cb 0.89 -0.62 -0.02 0.00 1.12 0.00 0.00 29.99 31.36 2hly n HIS 48 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2hly n TYR 49 N -2.37 0.00 -3.48 4.41 4.01 -0.16 -5.02 117.16 114.55 2hly n TYR 49 Ca -0.14 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.36 2hly n TYR 49 Cb 0.74 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.83 2hly n TYR 49 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2hly n LYS 50 N -1.01 -6.96 -4.29 -0.72 4.76 -0.90 -4.99 118.16 104.06 2hly n LYS 50 Ca 0.01 0.83 -0.27 0.00 -2.87 0.00 0.00 58.31 56.01 2hly n LYS 50 Cb 0.07 -5.82 -0.09 0.00 -1.84 0.00 0.00 35.03 27.35 2hly n LYS 50 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2hly s VAL 51 N -3.28 3.23 0.04 -0.18 -7.23 -1.24 -5.04 120.40 106.70 2hly s VAL 51 Ca 0.52 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 58.73 2hly s VAL 51 Cb -0.23 -2.61 -0.06 0.00 0.56 0.00 0.00 36.38 34.04 2hly s VAL 51 CO 0.65 -0.12 1.30 -0.54 -0.31 0.00 0.00 175.10 176.07 2hly s LYS 52 N -2.88 4.35 -0.06 4.82 3.01 -1.26 -4.02 119.74 123.71 2hly s LYS 52 Ca 0.25 1.88 0.01 0.00 -1.01 0.00 0.00 55.97 57.10 2hly s LYS 52 Cb -0.09 -3.43 0.02 0.00 -1.01 0.00 0.00 37.83 33.33 2hly s LYS 52 CO 0.16 -0.42 -0.05 0.00 0.51 0.00 0.00 175.35 175.55 2hly s ALA 53 N 1.66 0.79 -0.13 5.17 0.00 -1.26 -3.19 121.76 124.79 2hly s ALA 53 Ca 0.61 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2hly s ALA 53 Cb -0.31 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.30 2hly s ALA 53 CO 0.27 -0.11 -0.16 0.08 0.00 0.00 0.00 175.76 175.84 2hly s VAL 54 N 1.13 1.64 0.24 0.00 1.01 0.03 -4.86 120.40 119.58 2hly s VAL 54 Ca -0.07 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 2hly s VAL 54 Cb -0.14 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 2hly s VAL 54 CO -0.01 0.47 1.11 -2.16 0.00 0.00 0.00 175.10 174.51 2hly s PRO 55 N 1.21 4.60 0.10 2.72 0.04 -1.26 -1.12 135.00 141.29 2hly s PRO 55 Ca -0.01 1.79 0.02 0.00 0.04 0.00 0.00 61.00 62.85 2hly s PRO 55 Cb -0.14 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2hly s PRO 55 CO -0.06 0.13 -0.07 0.15 0.04 0.00 0.00 177.00 177.18 2hly s LYS 56 N -0.96 0.86 0.10 4.56 1.02 -0.28 -4.95 119.74 120.10 2hly s LYS 56 Ca 0.47 -1.32 -0.07 0.00 0.02 0.00 0.00 55.97 55.07 2hly s LYS 56 Cb -0.31 -0.30 -0.01 0.00 -0.52 0.00 0.00 37.83 36.68 2hly s LYS 56 CO 0.39 0.01 0.18 0.20 -0.92 0.00 0.00 175.35 175.20 2hly s GLY 57 N -2.96 0.26 0.00 -3.33 0.00 -1.26 -0.57 107.32 99.46 2hly s GLY 57 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.04 2hly s GLY 57 CO -0.03 -0.90 0.00 0.61 0.00 0.00 0.00 173.10 172.78 2hly n GLY 58 N -0.08 -0.51 3.78 0.20 0.00 -0.43 -0.51 105.19 107.65 2hly n GLY 58 Ca -0.13 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2hly n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hly s LEU 59 N 0.00 4.34 0.01 0.99 0.20 -0.36 -2.66 118.68 121.20 2hly s LEU 59 Ca 0.00 0.71 0.00 0.00 0.69 0.00 0.00 54.13 55.53 2hly s LEU 59 Cb 0.00 -2.47 -0.01 0.00 -0.43 0.00 0.00 46.19 43.28 2hly s LEU 59 CO 0.00 0.18 -0.02 0.00 -0.29 0.00 0.00 176.35 176.23 2hly s ALA 60 N -0.15 0.12 -0.03 5.97 0.00 -1.10 -0.77 121.76 125.79 2hly s ALA 60 Ca 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 2hly s ALA 60 Cb -0.14 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.00 2hly s ALA 60 CO 0.08 -0.02 0.11 0.00 0.00 0.00 0.00 175.76 175.94 2hly s ALA 61 N -0.38 -0.28 0.00 0.00 0.00 0.02 -0.16 121.76 120.97 2hly s ALA 61 Ca -0.03 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.09 2hly s ALA 61 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2hly s ALA 61 CO -0.00 -0.11 -0.06 0.71 0.00 0.00 0.00 175.76 176.31 2hly s TYR 62 N -0.43 0.50 -0.39 0.00 2.02 -0.32 -0.87 117.35 117.86 2hly s TYR 62 Ca -0.05 -0.15 -0.18 0.00 -0.37 0.00 0.00 57.07 56.32 2hly s TYR 62 Cb -0.03 -0.32 0.01 0.00 -0.40 0.00 0.00 41.96 41.22 2hly s TYR 62 CO 0.00 -0.02 0.50 1.21 -1.57 0.00 0.00 175.55 175.67 2hly s ASN 63 N -0.35 6.26 -0.49 2.29 3.84 0.18 -0.57 114.94 126.10 2hly s ASN 63 Ca 0.00 -0.32 -0.03 0.00 0.21 0.00 0.00 52.86 52.72 2hly s ASN 63 Cb -0.03 -2.26 0.13 0.00 -0.55 0.00 0.00 41.25 38.54 2hly s ASN 63 CO -0.00 -0.55 0.30 -0.76 -2.79 0.00 0.00 177.10 173.30 2hly s LEU 64 N 2.35 5.29 -1.52 3.21 1.43 0.86 -0.05 118.68 130.25 2hly s LEU 64 Ca 0.16 -2.32 0.00 0.00 -1.03 0.00 0.00 54.13 50.95 2hly s LEU 64 Cb -0.16 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2hly s LEU 64 CO 0.14 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.84 2hly n GLY 65 N 4.22 -0.36 0.00 -3.19 0.00 -1.26 -2.63 105.19 101.98 2hly n GLY 65 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2hly n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hly n GLY 66 N -1.02 1.12 3.61 -0.02 0.00 -1.26 -5.02 105.19 102.60 2hly n GLY 66 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2hly n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hly s THR 67 N -2.21 4.21 -0.24 2.61 -4.23 -1.08 -5.09 115.64 109.62 2hly s THR 67 Ca 0.00 -0.27 -0.16 0.00 -1.18 0.00 0.00 61.69 60.08 2hly s THR 67 Cb 0.00 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 2hly s THR 67 CO 0.00 0.54 0.44 -0.69 -0.54 0.00 0.00 174.62 174.37 2hly s VAL 68 N -0.26 5.14 -0.23 2.29 1.01 -1.26 -0.10 120.40 127.00 2hly s VAL 68 Ca 0.06 0.74 -0.15 0.00 0.00 0.00 0.00 61.98 62.63 2hly s VAL 68 Cb -0.12 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2hly s VAL 68 CO 0.02 0.17 0.35 -0.22 0.00 0.00 0.00 175.10 175.42 2hly s LEU 69 N 1.85 4.12 -0.25 3.92 2.96 0.26 -4.95 118.68 126.59 2hly s LEU 69 Ca 0.19 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 2hly s LEU 69 Cb -0.15 -2.42 0.06 0.00 0.50 0.00 0.00 46.19 44.18 2hly s LEU 69 CO 0.09 -0.08 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.74 2hly s LEU 70 N 1.47 3.07 -1.04 -0.68 2.96 -1.26 -1.18 118.68 122.02 2hly s LEU 70 Ca 0.16 -1.32 -0.16 0.00 -0.22 0.00 0.00 54.13 52.59 2hly s LEU 70 Cb -0.15 -1.37 0.16 0.00 0.50 0.00 0.00 46.19 45.33 2hly s LEU 70 CO 0.08 -0.22 1.22 -0.36 -1.32 0.00 0.00 176.35 175.75 2hly s PHE 71 N 1.24 3.36 0.16 5.38 0.08 0.78 -4.92 117.98 124.06 2hly s PHE 71 Ca -0.07 -1.77 -0.24 0.00 0.12 0.00 0.00 56.93 54.97 2hly s PHE 71 Cb -0.19 -4.24 0.06 0.00 -0.57 0.00 0.00 43.02 38.07 2hly s PHE 71 CO -0.06 -1.40 0.73 0.00 -0.10 0.00 0.00 175.22 174.40 2hly s ALA 72 N 1.92 -1.55 0.02 5.36 0.00 -1.23 -2.72 121.76 123.56 2hly s ALA 72 Ca 0.35 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 2hly s ALA 72 Cb -0.05 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2hly s ALA 72 CO -0.06 -0.86 0.24 -0.51 0.00 0.00 0.00 175.76 174.57 2hly s ASP 73 N -2.77 6.43 -0.06 0.00 1.01 0.49 -4.79 116.67 116.98 2hly s ASP 73 Ca 0.06 0.44 -0.18 0.00 0.71 0.00 0.00 52.55 53.59 2hly s ASP 73 Cb -0.02 -2.04 -0.05 0.00 1.01 0.00 0.00 42.92 41.82 2hly s ASP 73 CO -0.05 0.22 0.48 -2.28 0.21 0.00 0.00 175.17 173.75 2hly s HIS 74 N -1.38 3.61 -0.23 4.23 2.46 -1.26 -0.21 115.29 122.52 2hly s HIS 74 Ca 0.30 0.98 -0.14 0.00 0.47 0.00 0.00 55.06 56.67 2hly s HIS 74 Cb -0.13 -2.49 0.07 0.00 -0.13 0.00 0.00 32.58 29.90 2hly s HIS 74 CO 0.20 0.34 0.56 0.50 -2.47 0.00 0.00 174.74 173.87 2hly s ARG 75 N -0.02 0.58 0.00 2.88 3.52 -1.26 -4.94 118.95 119.71 2hly s ARG 75 Ca 0.26 0.99 0.00 0.00 -0.13 0.00 0.00 55.73 56.85 2hly s ARG 75 Cb -0.16 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.34 2hly s ARG 75 CO 0.13 -0.14 0.00 0.39 -0.81 0.00 0.00 175.30 174.86 2hly n GLU 76 N 4.05 0.00 -3.51 5.12 1.02 -1.26 -4.87 120.64 121.19 2hly n GLU 76 Ca -0.20 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.58 2hly n GLU 76 Cb 0.57 -0.44 -0.06 0.00 -0.02 0.00 0.00 31.44 31.50 2hly n GLU 76 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2hly s TYR 79 N 0.00 3.61 0.27 -0.32 2.02 -1.26 -5.33 117.35 116.34 2hly s TYR 79 Ca 0.00 0.88 0.02 0.00 -0.37 0.00 0.00 57.07 57.60 2hly s TYR 79 Cb 0.00 -2.23 -0.05 0.00 -0.40 0.00 0.00 41.96 39.28 2hly s TYR 79 CO 0.00 0.52 0.09 0.14 -1.57 0.00 0.00 175.55 174.73 2hly s VAL 80 N -1.36 0.62 0.32 0.71 -7.23 0.71 -4.97 120.40 109.21 2hly s VAL 80 Ca 0.32 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 2hly s VAL 80 Cb -0.15 -2.65 -0.11 0.00 0.56 0.00 0.00 36.38 34.03 2hly s VAL 80 CO 0.17 0.00 1.58 -0.89 -0.31 0.00 0.00 175.10 175.65 2hly s THR 81 N -3.70 2.01 0.22 5.32 2.01 -1.26 -0.38 115.64 119.85 2hly s THR 81 Ca 0.38 0.01 -0.32 0.00 0.31 0.00 0.00 61.69 62.06 2hly s THR 81 Cb 0.08 -3.00 -0.12 0.00 0.01 0.00 0.00 72.50 69.46 2hly s THR 81 CO 0.14 0.00 1.69 0.61 -0.69 0.00 0.00 174.62 176.37 2hly n GLY 82 N 1.69 1.47 0.06 4.40 0.00 -1.26 -4.44 105.19 107.11 2hly n GLY 82 Ca 0.06 0.60 0.12 0.00 0.00 0.00 0.00 46.02 46.81 2hly n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hly n ALA 83 N 3.66 3.40 -2.67 4.61 0.00 -1.26 -4.31 120.51 123.93 2hly n ALA 83 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2hly n ALA 83 Cb 0.35 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2hly n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hly n GLY 84 N 1.46 4.32 0.00 0.00 0.00 -1.26 -5.01 105.19 104.70 2hly n GLY 84 Ca 0.07 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.65 2hly n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hly n GLU 85 N 0.00 0.47 0.00 1.61 1.02 -1.26 -2.54 120.64 119.94 2hly n GLU 85 Ca 0.00 0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.32 2hly n GLU 85 Cb 0.00 -1.50 0.45 0.00 -0.02 0.00 0.00 31.44 30.37 2hly n GLU 85 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2hly n ASN 86 N -1.19 0.59 -4.77 1.62 3.02 -1.26 -3.51 115.26 109.76 2hly n ASN 86 Ca 0.13 -0.47 -0.40 0.00 -0.03 0.00 0.00 54.58 53.81 2hly n ASN 86 Cb 0.15 0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.35 2hly n ASN 86 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2hly s PHE 87 N -2.68 2.51 0.01 3.10 5.36 -1.05 -3.55 117.98 121.68 2hly s PHE 87 Ca 0.21 1.20 0.01 0.00 -0.96 0.00 0.00 56.93 57.39 2hly s PHE 87 Cb 0.19 -3.99 -0.01 0.00 -0.34 0.00 0.00 43.02 38.87 2hly s PHE 87 CO 0.55 -3.00 -0.03 -1.58 -1.46 0.00 0.00 175.22 169.70 2hly s HIS 88 N -1.16 0.25 0.19 10.12 5.65 -1.09 -4.29 115.29 124.96 2hly s HIS 88 Ca 0.57 -0.18 0.09 0.00 0.25 0.00 0.00 55.06 55.78 2hly s HIS 88 Cb -0.45 -0.16 -0.04 0.00 -1.18 0.00 0.00 32.58 30.74 2hly s HIS 88 CO 0.60 -0.05 -0.12 0.00 -0.65 0.00 0.00 174.74 174.52 2hly n TRP 90 N 0.06 -0.91 -5.27 0.00 2.14 0.26 -4.80 117.44 108.92 2hly n TRP 90 Ca -0.11 -1.95 -0.31 0.00 2.07 0.00 0.00 57.50 57.21 2hly n TRP 90 Cb 0.56 0.32 -0.16 0.00 -0.81 0.00 0.00 31.31 31.22 2hly n TRP 90 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2hly s VAL 91 N -2.87 2.01 -0.20 -1.67 1.01 -0.08 -1.12 120.40 117.48 2hly s VAL 91 Ca 0.26 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2hly s VAL 91 Cb 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2hly s VAL 91 CO 0.18 0.56 -0.13 -1.61 0.00 0.00 0.00 175.10 174.10 2hly s GLU 92 N -0.61 3.13 -0.10 2.72 2.02 -0.28 -1.13 118.70 124.45 2hly s GLU 92 Ca 0.10 -0.76 -0.04 0.00 0.02 0.00 0.00 54.97 54.29 2hly s GLU 92 Cb -0.10 -2.76 0.05 0.00 0.10 0.00 0.00 34.13 31.42 2hly s GLU 92 CO -0.01 -0.22 0.19 0.00 0.02 0.00 0.00 175.26 175.24 2hly s ALA 93 N 1.36 -0.27 -1.45 5.21 0.00 0.06 -0.79 121.76 125.89 2hly s ALA 93 Ca 0.05 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.63 2hly s ALA 93 Cb -0.14 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.12 2hly s ALA 93 CO -0.09 -0.59 0.30 -3.47 0.00 0.00 0.00 175.76 171.91 2hly n ASP 94 N 5.33 -5.11 0.00 0.00 2.03 -1.19 -0.43 116.55 117.18 2hly n ASP 94 Ca -0.05 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2hly n ASP 94 Cb 0.50 -4.22 0.00 0.00 -0.72 0.00 0.00 41.12 36.68 2hly n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2hly n GLY 95 N -1.17 2.52 3.77 0.27 0.00 -1.26 -5.04 105.19 104.28 2hly n GLY 95 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2hly n GLY 95 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2hly s TRP 96 N -2.23 3.90 -0.23 1.61 0.52 0.43 -0.44 118.94 122.49 2hly s TRP 96 Ca 0.00 1.64 -0.17 0.00 0.02 0.00 0.00 56.10 57.59 2hly s TRP 96 Cb 0.00 -2.79 -0.03 0.00 -1.15 0.00 0.00 33.47 29.50 2hly s TRP 96 CO 0.00 0.49 0.48 0.00 0.02 0.00 0.00 176.95 177.94 2hly s ALA 97 N -1.03 3.57 -0.08 0.98 0.00 0.12 -0.76 121.76 124.56 2hly s ALA 97 Ca 0.36 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.79 2hly s ALA 97 Cb -0.23 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.10 2hly s ALA 97 CO 0.26 -0.57 -0.13 0.42 0.00 0.00 0.00 175.76 175.74 2hly s ILE 98 N 1.92 1.25 -0.41 0.00 1.01 -0.28 -0.98 121.20 123.70 2hly s ILE 98 Ca 0.21 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.36 2hly s ILE 98 Cb -0.15 -1.14 0.11 0.00 0.01 0.00 0.00 42.46 41.28 2hly s ILE 98 CO 0.09 0.38 0.15 -0.62 0.00 0.00 0.00 174.94 174.94 2hly s ASP 99 N 0.82 4.79 0.13 3.58 -1.08 -0.77 -0.90 116.67 123.23 2hly s ASP 99 Ca -0.11 -2.37 0.18 0.00 -0.52 0.00 0.00 52.55 49.73 2hly s ASP 99 Cb -0.15 -1.68 0.76 0.00 -1.46 0.00 0.00 42.92 40.38 2hly s ASP 99 CO 0.02 -0.38 1.55 0.49 0.52 0.00 0.00 175.17 177.37 2hly n PHE 100 N 4.02 0.39 0.81 -5.34 3.72 -1.26 -2.02 117.46 117.78 2hly n PHE 100 Ca 0.03 0.16 0.13 0.00 -0.05 0.00 0.00 57.45 57.73 2hly n PHE 100 Cb 0.39 -0.76 0.50 0.00 -0.94 0.00 0.00 39.48 38.68 2hly n PHE 100 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 2hly n MET 101 N -1.86 0.13 -0.34 -1.08 1.56 -1.26 -4.41 117.12 109.86 2hly n MET 101 Ca 0.02 0.11 0.11 0.00 -0.27 0.00 0.00 57.70 57.67 2hly n MET 101 Cb 0.17 -1.65 0.29 0.00 2.15 0.00 0.00 33.22 34.18 2hly n MET 101 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2hly h ALA 102 N 2.76 1.56 0.00 -5.12 0.00 -1.69 0.23 119.26 117.00 2hly h ALA 102 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2hly h ALA 102 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2hly h ALA 102 CO 0.00 -0.03 0.01 -1.35 0.00 0.00 0.00 179.25 177.88 2hly h PRO 103 N 0.76 0.00 -0.03 0.00 0.11 -1.77 -1.12 132.00 129.95 2hly h PRO 103 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 2hly h PRO 103 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2hly h PRO 103 CO -0.37 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.42 2hly n ALA 104 N -1.96 2.55 0.36 -0.75 0.00 0.80 -4.34 120.51 117.18 2hly n ALA 104 Ca -0.02 -0.49 0.07 0.00 0.00 0.00 0.00 53.44 52.99 2hly n ALA 104 Cb 0.06 -1.11 0.30 0.00 0.00 0.00 0.00 19.45 18.71 2hly n ALA 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2hly n PHE 105 N 0.37 0.19 0.19 0.00 3.72 -0.42 -1.99 117.46 119.52 2hly n PHE 105 Ca 0.18 0.08 0.04 0.00 -0.05 0.00 0.00 57.45 57.70 2hly n PHE 105 Cb 0.39 -0.63 0.43 0.00 -0.94 0.00 0.00 39.48 38.73 2hly n PHE 105 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2hly h SER 106 N 0.00 0.03 -3.41 4.37 0.02 -1.76 -3.40 113.55 109.40 2hly h SER 106 Ca 0.00 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2hly h SER 106 Cb 0.21 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 2hly h SER 106 CO 0.00 0.29 0.47 -1.61 -1.14 0.00 0.00 176.83 174.84 2hly s GLU 107 N -4.46 4.54 0.00 3.45 2.02 -0.84 -3.36 118.70 120.06 2hly s GLU 107 Ca -0.04 1.65 0.00 0.00 0.02 0.00 0.00 54.97 56.60 2hly s GLU 107 Cb 0.15 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 31.04 2hly s GLU 107 CO 0.71 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.36 2hly n GLY 108 N 2.62 0.74 0.22 -1.39 0.00 -1.26 -4.88 105.19 101.24 2hly n GLY 108 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 2hly n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hly n THR 109 N -2.41 0.00 0.00 2.61 -2.24 -1.21 -5.01 114.28 106.01 2hly n THR 109 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2hly n THR 109 Cb 0.00 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 2hly n THR 109 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2hly n ASP 110 N -0.14 0.00 -0.05 3.42 5.75 -1.26 -0.43 116.55 123.85 2hly n ASP 110 Ca 0.04 0.00 0.21 0.00 -0.01 0.00 0.00 54.79 55.03 2hly n ASP 110 Cb 0.19 0.00 0.68 0.00 -1.03 0.00 0.00 41.12 40.95 2hly n ASP 110 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hly h ALA 111 N 0.00 2.52 0.00 2.12 0.00 -1.98 -1.59 119.26 120.34 2hly h ALA 111 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2hly h ALA 111 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2hly h ALA 111 CO 0.00 -0.70 -0.16 -0.07 0.00 0.00 0.00 179.25 178.32 2hly h LEU 112 N 0.04 0.00 -2.70 0.00 3.38 -1.17 -3.47 115.31 111.40 2hly h LEU 112 Ca 0.29 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.81 2hly h LEU 112 Cb 1.11 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.90 2hly h LEU 112 CO -0.01 0.16 -0.92 0.00 0.09 0.00 0.00 178.44 177.76 2hly n ALA 113 N -2.28 -2.34 -2.58 1.53 0.00 -0.60 -4.86 120.51 109.38 2hly n ALA 113 Ca -0.01 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.75 2hly n ALA 113 Cb 0.29 -3.09 -0.02 0.00 0.00 0.00 0.00 19.45 16.63 2hly n ALA 113 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hly s VAL 114 N -3.64 4.55 0.79 0.00 1.01 -1.26 -5.03 120.40 116.81 2hly s VAL 114 Ca 0.29 1.85 -0.12 0.00 0.00 0.00 0.00 61.98 64.00 2hly s VAL 114 Cb -0.10 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.16 2hly s VAL 114 CO 0.87 -0.06 1.12 -2.84 0.00 0.00 0.00 175.10 174.19 2hly s PRO 115 N 2.58 2.00 -0.40 2.72 0.02 -1.26 -3.85 135.00 136.81 2hly s PRO 115 Ca 0.50 1.37 -0.19 0.00 0.02 0.00 0.00 61.00 62.70 2hly s PRO 115 Cb -0.20 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.48 2hly s PRO 115 CO 0.15 -1.87 0.58 0.00 -0.33 0.00 0.00 177.00 175.53 2hly s ALA 116 N -2.64 3.41 0.11 -1.55 0.00 -1.26 -4.62 121.76 115.21 2hly s ALA 116 Ca 0.65 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 2hly s ALA 116 Cb -0.21 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2hly s ALA 116 CO 0.53 -1.55 0.06 0.15 0.00 0.00 0.00 175.76 174.94 2hly s LYS 117 N 2.59 0.86 0.30 0.00 1.02 -1.26 -4.45 119.74 118.80 2hly s LYS 117 Ca 0.20 -1.35 -0.29 0.00 0.02 0.00 0.00 55.97 54.55 2hly s LYS 117 Cb -0.15 0.25 -0.10 0.00 -0.52 0.00 0.00 37.83 37.31 2hly s LYS 117 CO 0.16 -0.24 1.28 1.41 -0.92 0.00 0.00 175.35 177.05 2hly s MET 118 N -4.01 4.40 -0.30 1.68 -2.45 -0.21 -3.61 119.30 114.81 2hly s MET 118 Ca 0.19 2.13 -0.00 0.00 -1.25 0.00 0.00 55.69 56.76 2hly s MET 118 Cb 0.07 -3.11 0.06 0.00 1.25 0.00 0.00 34.83 33.10 2hly s MET 118 CO -0.02 -0.15 -0.01 0.12 1.05 0.00 0.00 175.02 176.02 2hly s PHE 119 N -0.91 3.31 -0.25 4.11 5.36 -1.26 -0.54 117.98 127.80 2hly s PHE 119 Ca 0.50 -2.07 -0.02 0.00 -0.96 0.00 0.00 56.93 54.38 2hly s PHE 119 Cb -0.38 -2.18 0.14 0.00 -0.34 0.00 0.00 43.02 40.26 2hly s PHE 119 CO 0.49 -0.84 0.39 -1.14 -1.46 0.00 0.00 175.22 172.65 2hly s GLN 120 N 1.19 0.36 0.03 10.12 0.74 -1.26 -1.86 119.66 128.99 2hly s GLN 120 Ca -0.04 0.49 -0.06 0.00 0.05 0.00 0.00 55.36 55.80 2hly s GLN 120 Cb -0.20 -0.43 -0.01 0.00 1.10 0.00 0.00 33.01 33.47 2hly s GLN 120 CO -0.03 -0.69 0.10 1.03 -0.55 0.00 0.00 175.29 175.15 2hly s ARG 121 N 2.55 0.57 0.30 1.67 0.52 -0.15 -4.99 118.95 119.42 2hly s ARG 121 Ca 0.13 -0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 54.35 2hly s ARG 121 Cb -0.15 0.22 -0.10 0.00 0.52 0.00 0.00 34.95 35.44 2hly s ARG 121 CO -0.18 -0.14 1.43 -2.14 0.02 0.00 0.00 175.30 174.29 2hly s PRO 122 N -2.39 4.25 0.48 3.54 0.02 -1.26 0.14 135.00 139.77 2hly s PRO 122 Ca -0.07 2.35 0.15 0.00 0.02 0.00 0.00 61.00 63.45 2hly s PRO 122 Cb -0.02 -3.06 1.15 0.00 0.02 0.00 0.00 34.50 32.58 2hly s PRO 122 CO -0.04 -0.39 2.08 -0.07 -0.33 0.00 0.00 177.00 178.25 2hly h LEU 123 N 4.17 0.17 -1.88 -5.54 3.38 -1.05 -0.98 115.31 113.58 2hly h LEU 123 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2hly h LEU 123 Cb 1.22 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2hly h LEU 123 CO 0.72 0.12 0.00 0.77 0.09 0.00 0.00 178.44 180.14 2hly h SER 124 N 0.20 0.00 0.11 -0.43 4.64 -1.90 -0.89 113.55 115.29 2hly h SER 124 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2hly h SER 124 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2hly h SER 124 CO -0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.85 2hly n ALA 125 N -1.89 2.76 -1.69 5.18 0.00 -0.37 -4.97 120.51 119.52 2hly n ALA 125 Ca -0.02 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 2hly n ALA 125 Cb 0.08 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 2hly n ALA 125 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2hly n MET 126 N -0.32 2.14 -0.97 0.00 0.00 -0.34 -4.81 117.12 112.82 2hly n MET 126 Ca 0.17 0.76 -0.28 0.00 0.00 0.00 0.00 57.70 58.34 2hly n MET 126 Cb 0.32 -2.39 0.21 0.00 0.00 0.00 0.00 33.22 31.36 2hly n MET 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2hly s ALA 127 N -0.56 0.41 -0.24 -5.12 0.00 0.10 -4.98 121.76 111.36 2hly s ALA 127 Ca 0.62 -0.37 0.19 0.00 0.00 0.00 0.00 51.96 52.39 2hly s ALA 127 Cb -0.60 -3.13 0.10 0.00 0.00 0.00 0.00 23.12 19.49 2hly s ALA 127 CO 0.56 -3.27 1.32 0.00 0.00 0.00 0.00 175.76 174.37 2hly h ALA 128 N -2.22 0.73 -2.09 0.00 0.00 -1.86 -3.45 119.26 110.37 2hly h ALA 128 Ca -0.57 -0.32 0.32 0.00 0.00 0.00 0.00 54.91 54.34 2hly h ALA 128 Cb 1.33 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 2hly h ALA 128 CO 0.54 0.40 0.86 -1.54 0.00 0.00 0.00 179.25 179.51 2hly s SER 129 N -6.10 -0.00 0.00 0.00 1.04 -1.26 -5.00 113.70 102.38 2hly s SER 129 Ca 0.03 -0.25 0.21 0.00 0.48 0.00 0.00 55.95 56.42 2hly s SER 129 Cb 0.07 0.19 0.98 0.00 0.10 0.00 0.00 66.02 67.36 2hly s SER 129 CO 0.74 -0.37 1.68 2.30 0.98 0.00 0.00 173.24 178.57 2hly n ILE 130 N -0.83 0.46 0.81 -1.02 -5.35 -1.26 -2.10 119.36 110.07 2hly n ILE 130 Ca 0.01 0.11 0.12 0.00 -0.27 0.00 0.00 62.75 62.73 2hly n ILE 130 Cb 0.59 -0.75 0.22 0.00 -1.74 0.00 0.00 39.64 37.96 2hly n ILE 130 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2hly n ASN 131 N -1.41 2.87 -1.79 7.28 5.03 -1.26 -4.35 115.26 121.63 2hly n ASN 131 Ca 0.07 -1.91 -0.20 0.00 0.87 0.00 0.00 54.58 53.41 2hly n ASN 131 Cb 0.22 -0.11 0.08 0.00 -1.02 0.00 0.00 39.78 38.94 2hly n ASN 131 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2hly n ASP 132 N 1.17 4.64 -3.05 6.41 2.03 -0.89 -4.83 116.55 122.03 2hly n ASP 132 Ca 0.17 -3.78 -0.32 0.00 0.52 0.00 0.00 54.79 51.37 2hly n ASP 132 Cb 0.55 -0.51 -0.01 0.00 -0.72 0.00 0.00 41.12 40.43 2hly n ASP 132 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2hly n LEU 133 N -0.85 5.70 0.03 -2.67 4.77 -1.26 -4.61 117.00 118.12 2hly n LEU 133 Ca 0.43 -5.42 0.13 0.00 -0.03 0.00 0.00 56.01 51.12 2hly n LEU 133 Cb 0.90 -0.77 0.40 0.00 -2.33 0.00 0.00 43.42 41.62 2hly n LEU 133 CO 0.38 2.18 0.71 0.61 -1.33 0.00 0.00 177.39 179.95 2hly n GLY 134 N -0.27 -1.47 3.18 -0.72 0.00 -1.26 -4.74 105.19 99.90 2hly n GLY 134 Ca 0.40 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 2hly n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hly s GLN 135 N -3.05 1.49 0.18 1.61 0.74 -1.26 -5.03 119.66 114.35 2hly s GLN 135 Ca 0.11 -0.65 -0.33 0.00 0.05 0.00 0.00 55.36 54.54 2hly s GLN 135 Cb 0.16 -1.43 -0.14 0.00 1.10 0.00 0.00 33.01 32.70 2hly s GLN 135 CO 0.62 0.38 1.46 0.45 -0.55 0.00 0.00 175.29 177.66 2hly n SER 136 N 2.66 2.71 0.00 6.67 2.88 -1.26 -0.86 113.62 126.43 2hly n SER 136 Ca -0.15 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 2hly n SER 136 Cb 0.54 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 2hly n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hly n GLY 137 N 2.75 1.59 3.74 0.46 0.00 0.93 -4.92 105.19 109.74 2hly n GLY 137 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2hly n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hly n ASP 138 N 0.00 2.55 -3.77 1.61 8.00 -0.04 -4.80 116.55 120.09 2hly n ASP 138 Ca 0.00 0.95 -0.12 0.00 0.71 0.00 0.00 54.79 56.33 2hly n ASP 138 Cb 0.00 -1.57 -0.08 0.00 -0.02 0.00 0.00 41.12 39.45 2hly n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2hly s PHE 139 N -1.31 -0.11 -0.02 1.24 -0.12 -1.26 -0.64 117.98 115.77 2hly s PHE 139 Ca 0.73 0.05 0.00 0.00 -0.05 0.00 0.00 56.93 57.66 2hly s PHE 139 Cb -0.41 0.07 0.02 0.00 -0.63 0.00 0.00 43.02 42.07 2hly s PHE 139 CO 0.48 -0.44 0.01 0.12 -0.05 0.00 0.00 175.22 175.34 2hly s PHE 140 N -2.04 0.10 -0.03 3.49 5.36 -0.05 -0.72 117.98 124.09 2hly s PHE 140 Ca -0.09 0.06 0.06 0.00 -0.96 0.00 0.00 56.93 56.00 2hly s PHE 140 Cb -0.03 -0.22 -0.01 0.00 -0.34 0.00 0.00 43.02 42.42 2hly s PHE 140 CO -0.00 -0.07 -0.20 0.71 -1.46 0.00 0.00 175.22 174.19 2hly s TYR 141 N 0.75 1.88 -0.26 10.12 2.02 -1.26 -0.80 117.35 129.79 2hly s TYR 141 Ca -0.07 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.21 2hly s TYR 141 Cb -0.09 -1.23 0.07 0.00 -0.40 0.00 0.00 41.96 40.31 2hly s TYR 141 CO -0.02 -0.09 -0.04 0.50 -1.57 0.00 0.00 175.55 174.33 2hly s ARG 142 N -0.30 1.65 0.25 -0.62 3.52 0.05 -5.00 118.95 118.50 2hly s ARG 142 Ca 0.03 -1.18 -0.30 0.00 -0.13 0.00 0.00 55.73 54.15 2hly s ARG 142 Cb -0.10 -2.68 -0.11 0.00 -1.56 0.00 0.00 34.95 30.51 2hly s ARG 142 CO 0.01 -0.67 1.51 0.45 -0.81 0.00 0.00 175.30 175.79 2hly s SER 143 N 1.29 6.54 -0.67 -2.12 0.15 -1.26 -1.22 113.70 116.42 2hly s SER 143 Ca -0.03 2.76 0.05 0.00 0.70 0.00 0.00 55.95 59.43 2hly s SER 143 Cb -0.19 -2.62 0.17 0.00 -1.71 0.00 0.00 66.02 61.67 2hly s SER 143 CO -0.08 -0.79 0.47 -1.61 1.20 0.00 0.00 173.24 172.43 2hly s GLU 144 N -0.20 2.27 0.42 5.44 0.41 0.34 -4.93 118.70 122.45 2hly s GLU 144 Ca 0.62 -3.19 0.08 0.00 -0.41 0.00 0.00 54.97 52.08 2hly s GLU 144 Cb -0.44 -3.19 0.89 0.00 -1.78 0.00 0.00 34.13 29.61 2hly s GLU 144 CO 0.43 -1.29 2.04 -1.00 -0.49 0.00 0.00 175.26 174.95 2hly h PRO 145 N 5.45 0.43 -0.27 0.39 0.13 -1.94 -0.05 132.00 136.14 2hly h PRO 145 Ca 0.15 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 2hly h PRO 145 Cb 0.77 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 2hly h PRO 145 CO 0.68 0.32 -0.06 0.93 -0.23 0.00 0.00 178.00 179.64 2hly h GLU 146 N 0.43 0.51 -0.64 0.86 3.07 -1.95 -0.63 114.58 116.24 2hly h GLU 146 Ca 0.11 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 2hly h GLU 146 Cb 0.02 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 2hly h GLU 146 CO -0.02 0.72 0.31 0.00 -1.40 0.00 0.00 179.01 178.62 2hly h ALA 147 N 0.78 0.82 -0.31 3.43 0.00 -1.80 -1.80 119.26 120.37 2hly h ALA 147 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2hly h ALA 147 Cb 0.53 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2hly h ALA 147 CO 0.03 0.38 0.20 1.15 0.00 0.00 0.00 179.25 181.01 2hly h THR 148 N 0.88 1.10 -0.39 0.00 2.02 -0.89 -0.23 112.91 115.40 2hly h THR 148 Ca 0.22 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.21 2hly h THR 148 Cb 0.12 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2hly h THR 148 CO -0.03 0.09 0.21 0.00 0.37 0.00 0.00 175.52 176.17 2hly h ALA 149 N 1.09 0.48 -0.67 6.16 0.00 -0.92 -2.22 119.26 123.18 2hly h ALA 149 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2hly h ALA 149 Cb -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2hly h ALA 149 CO -0.02 -0.14 0.18 0.00 0.00 0.00 0.00 179.25 179.27 2hly h ARG 150 N 0.43 1.05 -0.54 0.00 3.08 -1.04 -2.08 114.38 115.28 2hly h ARG 150 Ca 0.16 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2hly h ARG 150 Cb 0.04 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2hly h ARG 150 CO -0.09 0.91 0.32 0.00 -1.07 0.00 0.00 179.97 180.04 2hly h ARG 151 N 1.00 0.73 -0.10 0.04 2.47 -0.49 -2.43 114.38 115.60 2hly h ARG 151 Ca 0.21 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 2hly h ARG 151 Cb 0.33 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 2hly h ARG 151 CO -0.00 0.51 0.00 1.19 0.56 0.00 0.00 179.97 182.23 2hly n PHE 152 N -4.42 0.11 -0.08 3.04 3.72 -0.89 -4.61 117.46 114.32 2hly n PHE 152 Ca 0.05 -0.05 0.15 0.00 -0.05 0.00 0.00 57.45 57.54 2hly n PHE 152 Cb 0.08 0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.16 2hly n PHE 152 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hly h ALA 153 N 4.36 2.15 -0.03 4.37 0.00 -0.86 -1.23 119.26 128.01 2hly h ALA 153 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hly h ALA 153 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2hly h ALA 153 CO 0.00 -0.30 -0.08 -0.25 0.00 0.00 0.00 179.25 178.61 2hly n ASP 154 N -4.45 2.82 -0.20 0.00 8.00 -1.26 -4.50 116.55 116.96 2hly n ASP 154 Ca 0.11 -1.91 -0.03 0.00 0.71 0.00 0.00 54.79 53.67 2hly n ASP 154 Cb 0.46 0.08 0.16 0.00 -0.02 0.00 0.00 41.12 41.81 2hly n ASP 154 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2hly h TRP 155 N 4.30 0.98 0.00 1.24 4.06 -1.54 -2.62 115.95 122.37 2hly h TRP 155 Ca 0.00 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 60.87 2hly h TRP 155 Cb 0.95 -0.30 -0.00 0.00 -1.00 0.00 0.00 29.16 28.81 2hly h TRP 155 CO 0.00 0.76 -0.07 1.12 -3.56 0.00 0.00 178.44 176.68 2hly h HIS 156 N 0.96 0.00 0.00 0.49 2.07 -1.79 -2.05 115.15 114.82 2hly h HIS 156 Ca 0.22 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 2hly h HIS 156 Cb 0.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.17 2hly h HIS 156 CO 0.01 0.07 0.00 1.63 -3.07 0.00 0.00 177.93 176.58 2hly n LYS 157 N -3.90 0.40 -3.70 5.12 5.02 -0.99 -4.60 118.16 115.51 2hly n LYS 157 Ca -0.02 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.90 2hly n LYS 157 Cb 0.16 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.58 2hly n LYS 157 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2hly s GLN 158 N -2.58 2.47 0.47 1.97 -0.21 -0.77 -4.95 119.66 116.05 2hly s GLN 158 Ca 0.27 -2.31 0.15 0.00 0.02 0.00 0.00 55.36 53.49 2hly s GLN 158 Cb 0.20 -3.74 1.11 0.00 1.00 0.00 0.00 33.01 31.58 2hly s GLN 158 CO 0.45 -1.16 2.04 0.00 -2.12 0.00 0.00 175.29 174.50 2hly h ALA 159 N 7.41 2.03 -0.53 6.09 0.00 -1.83 -2.12 119.26 130.30 2hly h ALA 159 Ca -0.05 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2hly h ALA 159 Cb 0.99 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2hly h ALA 159 CO 0.72 -0.11 0.35 1.98 0.00 0.00 0.00 179.25 182.19 2hly h MET 160 N 0.27 0.58 0.07 0.00 1.85 -1.94 -2.00 114.93 113.76 2hly h MET 160 Ca 0.18 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.23 2hly h MET 160 Cb 0.36 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.26 2hly h MET 160 CO -0.04 0.38 -0.03 0.82 -0.40 0.00 0.00 176.91 177.64 2hly h ILE 161 N 0.60 1.04 -0.79 1.77 2.04 -1.71 -0.12 117.51 120.33 2hly h ILE 161 Ca 0.21 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2hly h ILE 161 Cb 0.11 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 2hly h ILE 161 CO -0.06 0.09 0.51 1.23 0.00 0.00 0.00 178.15 179.93 2hly h GLY 162 N -0.27 1.13 1.00 5.37 0.00 -1.63 -0.62 103.07 108.04 2hly h GLY 162 Ca -0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2hly h GLY 162 CO 0.02 0.43 0.35 -0.55 0.00 0.00 0.00 176.54 176.78 2hly h ASP 163 N 1.08 0.69 -0.34 0.19 3.32 -1.09 -1.36 116.42 118.91 2hly h ASP 163 Ca 0.29 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 2hly h ASP 163 Cb -0.10 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2hly h ASP 163 CO -0.06 0.54 -0.13 0.24 -1.72 0.00 0.00 179.24 178.11 2hly h MET 164 N 0.78 0.78 -0.76 3.56 2.86 -0.34 -2.04 114.93 119.76 2hly h MET 164 Ca 0.21 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2hly h MET 164 Cb -0.03 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 2hly h MET 164 CO -0.04 0.88 0.37 0.00 1.06 0.00 0.00 176.91 179.18 2hly h ALA 165 N 1.15 0.98 -0.41 6.32 0.00 -0.79 -0.30 119.26 126.21 2hly h ALA 165 Ca 0.12 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2hly h ALA 165 Cb 0.62 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2hly h ALA 165 CO 0.04 0.54 0.25 1.03 0.00 0.00 0.00 179.25 181.11 2hly h SER 166 N 1.07 0.40 -0.55 0.00 0.87 -0.97 -0.70 113.55 113.68 2hly h SER 166 Ca 0.26 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2hly h SER 166 Cb 0.11 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2hly h SER 166 CO -0.03 0.29 0.35 0.58 -0.53 0.00 0.00 176.83 177.49 2hly h VAL 167 N 0.50 1.10 -0.16 2.23 2.07 -0.82 -1.44 116.25 119.74 2hly h VAL 167 Ca 0.16 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.47 2hly h VAL 167 Cb -0.00 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2hly h VAL 167 CO -0.07 0.13 -0.05 0.00 0.02 0.00 0.00 177.57 177.60 2hly h ALA 168 N 1.22 0.09 0.00 1.67 0.00 -0.69 0.12 119.26 121.68 2hly h ALA 168 Ca 0.21 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2hly h ALA 168 Cb -0.04 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2hly h ALA 168 CO -0.07 -0.49 -0.27 0.00 0.00 0.00 0.00 179.25 178.43 2hly h ALA 169 N 1.14 1.53 0.00 0.00 0.00 -0.82 -2.12 119.26 118.99 2hly h ALA 169 Ca 0.08 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2hly h ALA 169 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2hly h ALA 169 CO -0.17 0.33 -0.85 -0.91 0.00 0.00 0.00 179.25 177.65 2hly h ASN 170 N 0.00 0.00 0.03 0.00 2.35 -0.67 -3.35 115.58 113.94 2hly h ASN 170 Ca -0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2hly h ASN 170 Cb 0.48 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.86 2hly h ASN 170 CO 0.03 0.25 -0.35 -0.25 -1.65 0.00 0.00 177.43 175.46 2hly h TRP 171 N 0.00 0.31 -3.14 1.19 2.91 -0.56 -3.46 115.95 113.20 2hly h TRP 171 Ca -0.05 -0.19 -0.53 0.00 1.13 0.00 0.00 58.89 59.26 2hly h TRP 171 Cb 1.23 -0.03 0.08 0.00 -0.51 0.00 0.00 29.16 29.93 2hly h TRP 171 CO 0.00 1.04 0.93 0.34 -1.03 0.00 0.00 178.44 179.73 2hly n PHE 172 N -4.42 2.87 -4.12 2.65 7.35 -0.82 -4.70 117.46 116.27 2hly n PHE 172 Ca -0.11 0.18 -0.15 0.00 -0.76 0.00 0.00 57.45 56.62 2hly n PHE 172 Cb 0.58 -2.63 -0.13 0.00 0.35 0.00 0.00 39.48 37.65 2hly n PHE 172 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2hly s ARG 173 N -0.05 0.48 0.39 -4.13 0.52 -1.26 -4.97 118.95 109.93 2hly s ARG 173 Ca 0.67 -0.44 -0.26 0.00 -0.52 0.00 0.00 55.73 55.18 2hly s ARG 173 Cb -0.49 -0.37 -0.09 0.00 0.52 0.00 0.00 34.95 34.52 2hly s ARG 173 CO 0.44 0.09 1.22 0.15 0.02 0.00 0.00 175.30 177.21 2hly s LYS 174 N -0.76 4.09 0.48 3.54 1.02 -1.26 -4.82 119.74 122.04 2hly s LYS 174 Ca -0.03 1.96 -0.24 0.00 0.02 0.00 0.00 55.97 57.69 2hly s LYS 174 Cb -0.06 -2.77 -0.08 0.00 -0.52 0.00 0.00 37.83 34.41 2hly s LYS 174 CO 0.00 -0.32 1.30 0.45 -0.92 0.00 0.00 175.35 175.85 2hly n SER 175 N 0.23 2.55 -1.26 2.83 2.88 -1.26 -1.60 113.62 117.99 2hly n SER 175 Ca 0.03 1.04 0.06 0.00 -1.33 0.00 0.00 58.87 58.68 2hly n SER 175 Cb 0.45 -1.53 0.26 0.00 -0.75 0.00 0.00 64.21 62.64 2hly n SER 175 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2hly n PRO 176 N -0.42 3.11 -2.11 -1.46 -0.04 -1.26 -5.10 135.00 127.73 2hly n PRO 176 Ca 0.08 -2.03 -0.33 0.00 -0.04 0.00 0.00 63.50 61.18 2hly n PRO 176 Cb 0.42 -1.79 0.01 0.00 -0.04 0.00 0.00 33.50 32.10 2hly n PRO 176 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2hly s LYS 177 N -1.87 3.37 -0.24 0.54 1.02 -0.63 -4.88 119.74 117.04 2hly s LYS 177 Ca 0.36 1.24 -0.03 0.00 0.02 0.00 0.00 55.97 57.56 2hly s LYS 177 Cb 0.24 -2.04 0.01 0.00 -0.52 0.00 0.00 37.83 35.53 2hly s LYS 177 CO 0.15 -0.78 -0.04 -0.65 -0.92 0.00 0.00 175.35 173.12 2hly s GLN 178 N -3.95 3.07 0.18 1.68 1.11 -1.26 -4.81 119.66 115.68 2hly s GLN 178 Ca 0.64 -0.83 -0.07 0.00 0.01 0.00 0.00 55.36 55.11 2hly s GLN 178 Cb -0.16 -3.03 -0.06 0.00 -1.01 0.00 0.00 33.01 28.75 2hly s GLN 178 CO 0.35 -0.32 0.46 -1.64 0.01 0.00 0.00 175.29 174.14 2hly s MET 179 N 1.40 3.71 0.28 2.91 -1.94 -1.26 -5.01 119.30 119.39 2hly s MET 179 Ca 0.03 0.09 -0.30 0.00 -1.71 0.00 0.00 55.69 53.79 2hly s MET 179 Cb -0.16 -2.76 -0.12 0.00 2.01 0.00 0.00 34.83 33.80 2hly s MET 179 CO -0.04 0.40 1.61 0.00 -0.01 0.00 0.00 175.02 176.99 2hly n ALA 180 N 0.02 2.56 0.20 3.03 0.00 -1.26 -4.89 120.51 120.17 2hly n ALA 180 Ca -0.01 0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.86 2hly n ALA 180 Cb 0.52 -2.47 0.43 0.00 0.00 0.00 0.00 19.45 17.93 2hly n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hly h ALA 181 N 5.04 1.22 -2.70 0.00 0.00 -1.97 -3.46 119.26 117.40 2hly h ALA 181 Ca -0.46 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.09 2hly h ALA 181 Cb 1.22 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 2hly h ALA 181 CO 0.81 0.41 -0.06 -1.54 0.00 0.00 0.00 179.25 178.88 2hly s SER 182 N -6.59 -0.28 0.05 0.00 1.04 -1.26 -1.31 113.70 105.35 2hly s SER 182 Ca -0.02 -0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.28 2hly s SER 182 Cb 0.13 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 2hly s SER 182 CO 0.68 -0.80 -0.16 -0.76 0.98 0.00 0.00 173.24 173.18 2hly s LEU 183 N -2.55 2.21 -0.35 2.42 1.43 -0.25 -4.94 118.68 116.64 2hly s LEU 183 Ca 0.00 -0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 52.34 2hly s LEU 183 Cb 0.01 -0.69 0.01 0.00 0.03 0.00 0.00 46.19 45.54 2hly s LEU 183 CO -0.09 0.04 0.77 -0.55 0.23 0.00 0.00 176.35 176.74 2hly s SER 184 N -1.37 6.57 -0.18 2.29 0.15 -1.26 -0.22 113.70 119.67 2hly s SER 184 Ca 0.03 0.41 -0.02 0.00 0.70 0.00 0.00 55.95 57.07 2hly s SER 184 Cb -0.09 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.82 2hly s SER 184 CO 0.02 -0.68 -0.08 -0.69 1.20 0.00 0.00 173.24 173.01 2hly s VAL 185 N 3.02 3.30 -0.22 4.45 1.01 0.79 -4.92 120.40 127.83 2hly s VAL 185 Ca 0.31 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 2hly s VAL 185 Cb -0.14 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 2hly s VAL 185 CO 0.15 0.47 0.19 -0.89 0.00 0.00 0.00 175.10 175.03 2hly s THR 186 N 0.92 5.35 0.89 3.92 2.01 -1.26 -0.29 115.64 127.18 2hly s THR 186 Ca -0.01 0.27 -0.10 0.00 0.31 0.00 0.00 61.69 62.16 2hly s THR 186 Cb -0.15 -3.53 0.19 0.00 0.01 0.00 0.00 72.50 69.03 2hly s THR 186 CO 0.00 0.36 1.22 1.51 -0.69 0.00 0.00 174.62 177.02 2hly s ASP 187 N 0.84 3.40 0.54 3.53 1.47 0.10 -4.93 116.67 121.61 2hly s ASP 187 Ca 0.10 -0.10 0.32 0.00 1.18 0.00 0.00 52.55 54.05 2hly s ASP 187 Cb -0.13 0.01 1.32 0.00 -0.34 0.00 0.00 42.92 43.79 2hly s ASP 187 CO 0.03 -2.52 1.97 0.03 0.68 0.00 0.00 175.17 175.36 2hly h ARG 188 N -1.28 0.00 0.00 2.11 2.47 -1.99 -1.08 114.38 114.60 2hly h ARG 188 Ca -0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 2hly h ARG 188 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 2hly h ARG 188 CO 0.34 0.03 0.00 -0.25 0.56 0.00 0.00 179.97 180.66 2hly n ASP 189 N -3.15 0.25 0.00 7.04 9.92 -1.26 -4.90 116.55 124.46 2hly n ASP 189 Ca 0.00 0.55 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 2hly n ASP 189 Cb 0.32 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 2hly n ASP 189 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hly n GLY 190 N 0.50 0.75 3.77 0.44 0.00 -0.41 -5.07 105.19 105.18 2hly n GLY 190 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2hly n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hly s LYS 191 N -0.58 4.17 -0.02 1.61 0.00 -1.26 -4.82 119.74 118.85 2hly s LYS 191 Ca 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 55.97 56.37 2hly s LYS 191 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 37.83 34.45 2hly s LYS 191 CO 0.00 0.40 0.20 0.00 0.00 0.00 0.00 175.35 175.95 2hly s ALA 192 N -0.17 3.91 0.08 0.59 0.00 -1.26 -0.72 121.76 124.19 2hly s ALA 192 Ca 0.25 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.58 2hly s ALA 192 Cb -0.16 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 2hly s ALA 192 CO 0.12 0.70 -0.15 -0.98 0.00 0.00 0.00 175.76 175.44 2hly s ARG 193 N -1.75 0.89 -0.14 0.00 1.70 0.60 -4.94 118.95 115.31 2hly s ARG 193 Ca 0.25 -1.02 -0.19 0.00 -0.47 0.00 0.00 55.73 54.31 2hly s ARG 193 Cb -0.13 -0.93 -0.04 0.00 -0.57 0.00 0.00 34.95 33.29 2hly s ARG 193 CO 0.16 0.21 0.50 0.99 -1.08 0.00 0.00 175.30 176.08 2hly s THR 194 N -1.34 5.16 -0.26 4.99 2.01 -1.26 -0.15 115.64 124.79 2hly s THR 194 Ca 0.00 0.99 -0.01 0.00 0.31 0.00 0.00 61.69 62.99 2hly s THR 194 Cb -0.09 -3.84 0.04 0.00 0.01 0.00 0.00 72.50 68.61 2hly s THR 194 CO 0.03 0.28 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.49 2hly s VAL 195 N 0.90 2.71 0.37 3.82 1.01 0.69 -4.95 120.40 124.95 2hly s VAL 195 Ca 0.26 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 2hly s VAL 195 Cb -0.15 -2.47 -0.07 0.00 0.00 0.00 0.00 36.38 33.69 2hly s VAL 195 CO 0.11 0.07 0.73 -2.16 0.00 0.00 0.00 175.10 173.85 2hly s PRO 196 N 1.25 3.80 0.25 2.72 0.04 -1.26 -1.10 135.00 140.70 2hly s PRO 196 Ca -0.03 0.44 -0.30 0.00 0.04 0.00 0.00 61.00 61.15 2hly s PRO 196 Cb -0.18 -2.44 -0.10 0.00 0.04 0.00 0.00 34.50 31.82 2hly s PRO 196 CO -0.04 0.04 1.42 -0.51 0.04 0.00 0.00 177.00 177.95 2hly s LEU 197 N -3.64 4.39 0.91 -3.56 1.43 -0.43 -4.81 118.68 112.98 2hly s LEU 197 Ca 0.51 2.64 -0.11 0.00 -1.03 0.00 0.00 54.13 56.13 2hly s LEU 197 Cb -0.10 -3.62 0.14 0.00 0.03 0.00 0.00 46.19 42.63 2hly s LEU 197 CO 0.29 -0.68 1.09 0.42 0.23 0.00 0.00 176.35 177.70 2hly s THR 198 N -0.05 2.59 -0.16 5.49 -4.23 -1.26 -5.01 115.64 113.01 2hly s THR 198 Ca 0.59 0.19 0.15 0.00 -1.18 0.00 0.00 61.69 61.44 2hly s THR 198 Cb -0.41 -2.59 0.35 0.00 1.34 0.00 0.00 72.50 71.18 2hly s THR 198 CO 0.43 -0.25 1.18 0.61 -0.54 0.00 0.00 174.62 176.05 2hly n GLY 199 N -0.84 4.87 3.77 3.99 0.00 -1.26 -5.04 105.19 110.69 2hly n GLY 199 Ca 0.07 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 2hly n GLY 199 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hly s GLU 200 N -2.95 4.34 -0.01 1.61 2.12 -1.26 -5.02 118.70 117.53 2hly s GLU 200 Ca 0.34 1.63 -0.27 0.00 0.36 0.00 0.00 54.97 57.02 2hly s GLU 200 Cb 0.32 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 2hly s GLU 200 CO -0.02 -0.01 0.87 1.41 -0.54 0.00 0.00 175.26 176.97 2hly s MET 201 N -2.10 4.53 -0.11 4.30 -2.45 -1.26 -5.05 119.30 117.16 2hly s MET 201 Ca 0.53 1.22 0.01 0.00 -1.25 0.00 0.00 55.69 56.19 2hly s MET 201 Cb -0.26 -3.44 0.02 0.00 1.25 0.00 0.00 34.83 32.40 2hly s MET 201 CO 0.33 0.04 -0.11 -0.51 1.05 0.00 0.00 175.02 175.81 2hly s LEU 202 N 0.76 1.46 0.05 4.11 1.43 -1.26 -5.09 118.68 120.15 2hly s LEU 202 Ca 0.46 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.12 2hly s LEU 202 Cb -0.20 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.07 2hly s LEU 202 CO 0.25 -0.05 0.15 0.42 0.23 0.00 0.00 176.35 177.34 2hly s THR 203 N 1.34 0.13 0.00 5.49 -4.23 -1.26 -5.09 115.64 112.01 2hly s THR 203 Ca -0.01 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 2hly s THR 203 Cb -0.14 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.71 2hly s THR 203 CO -0.05 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 2hly n GLY 204 N 0.58 1.79 2.87 3.99 0.00 -1.26 -4.45 105.19 108.70 2hly n GLY 204 Ca -0.18 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 2hly n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hly s ALA 205 N -2.82 -0.04 -2.00 4.61 0.00 -1.26 -1.04 121.76 119.21 2hly s ALA 205 Ca 0.00 0.16 0.23 0.00 0.00 0.00 0.00 51.96 52.35 2hly s ALA 205 Cb 0.00 -0.11 1.39 0.00 0.00 0.00 0.00 23.12 24.39 2hly s ALA 205 CO 0.00 -0.04 1.76 0.91 0.00 0.00 0.00 175.76 178.38