#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1idp s GLU 10 N 0.00 1.95 0.77 -0.67 2.02 -1.26 -4.44 118.70 117.07 1idp s GLU 10 Ca 0.00 -1.56 -0.12 0.00 0.02 0.00 0.00 54.97 53.31 1idp s GLU 10 Cb 0.00 -1.97 0.06 0.00 0.10 0.00 0.00 34.13 32.32 1idp s GLU 10 CO 0.00 0.36 1.12 0.96 0.02 0.00 0.00 175.26 177.72 1idp s ILE 11 N -2.30 2.93 0.56 -1.63 -4.36 -1.26 -4.97 121.20 110.17 1idp s ILE 11 Ca 0.29 0.35 -0.03 0.00 -0.26 0.00 0.00 60.65 61.00 1idp s ILE 11 Cb -0.06 -2.75 0.01 0.00 1.25 0.00 0.00 42.46 40.91 1idp s ILE 11 CO 0.17 -0.35 0.84 0.42 0.24 0.00 0.00 174.94 176.25 1idp s THR 12 N -2.62 3.45 0.30 8.37 -4.23 -1.26 -4.97 115.64 114.68 1idp s THR 12 Ca 0.65 -0.25 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 1idp s THR 12 Cb -0.20 -3.35 0.26 0.00 1.34 0.00 0.00 72.50 70.55 1idp s THR 12 CO 0.52 -0.31 1.97 0.15 -0.54 0.00 0.00 174.62 176.40 1idp h PHE 13 N -0.04 1.02 -0.69 3.99 3.57 -1.99 -1.24 116.94 121.57 1idp h PHE 13 Ca -0.45 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.12 1idp h PHE 13 Cb 1.27 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.61 1idp h PHE 13 CO 0.44 0.63 0.41 0.77 -2.23 0.00 0.00 178.31 178.32 1idp h SER 14 N 1.09 0.64 -0.09 0.41 0.02 -2.00 -0.51 113.55 113.10 1idp h SER 14 Ca 0.31 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1idp h SER 14 Cb -0.08 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1idp h SER 14 CO -0.07 0.43 -0.04 0.44 -1.14 0.00 0.00 176.83 176.44 1idp h ASP 15 N 0.78 -0.15 -0.72 3.07 3.32 -1.77 -2.57 116.42 118.38 1idp h ASP 15 Ca 0.29 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.48 1idp h ASP 15 Cb 0.10 0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.66 1idp h ASP 15 CO -0.14 -0.06 0.34 0.22 -1.72 0.00 0.00 179.24 177.87 1idp h TYR 16 N -0.04 0.60 -0.59 4.55 3.20 -0.67 0.23 116.97 124.26 1idp h TYR 16 Ca 0.05 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1idp h TYR 16 Cb 0.11 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 1idp h TYR 16 CO -0.16 0.19 0.36 -0.07 -1.64 0.00 0.00 178.16 176.83 1idp h LEU 17 N 0.56 0.58 -0.39 2.82 3.38 -0.85 0.91 115.31 122.32 1idp h LEU 17 Ca 0.36 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.15 1idp h LEU 17 Cb 0.43 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1idp h LEU 17 CO -0.30 0.40 -0.66 1.23 0.09 0.00 0.00 178.44 179.21 1idp h GLY 18 N 0.70 0.63 0.98 0.83 0.00 -0.96 -1.67 103.07 103.59 1idp h GLY 18 Ca 0.24 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1idp h GLY 18 CO -0.10 0.73 0.19 1.41 0.00 0.00 0.00 176.54 178.77 1idp h LEU 19 N 0.41 0.76 -0.83 3.11 3.38 -0.36 -1.15 115.31 120.65 1idp h LEU 19 Ca -0.02 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1idp h LEU 19 Cb 1.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1idp h LEU 19 CO 0.12 0.75 0.13 0.24 0.09 0.00 0.00 178.44 179.77 1idp h MET 20 N 0.74 1.01 -0.48 1.13 2.86 -0.80 -1.18 114.93 118.21 1idp h MET 20 Ca 0.18 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1idp h MET 20 Cb 0.24 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1idp h MET 20 CO -0.01 0.91 0.28 1.15 1.06 0.00 0.00 176.91 180.30 1idp h THR 21 N 0.95 1.04 0.41 2.22 2.02 -1.12 -0.52 112.91 117.91 1idp h THR 21 Ca 0.20 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1idp h THR 21 Cb 0.38 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1idp h THR 21 CO 0.01 0.10 -0.22 0.00 0.37 0.00 0.00 175.52 175.78 1idp h VAL 23 N -0.58 1.40 -0.13 0.00 3.04 -1.15 0.07 116.25 118.90 1idp h VAL 23 Ca -0.05 -2.00 -0.00 0.00 -1.01 0.00 0.00 66.70 63.63 1idp h VAL 23 Cb 0.46 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.77 1idp h VAL 23 CO 0.07 0.59 0.07 0.22 -1.01 0.00 0.00 177.57 177.51 1idp h TYR 24 N 0.12 0.19 -0.55 3.17 5.03 -1.07 -1.54 116.97 122.33 1idp h TYR 24 Ca -0.01 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.24 1idp h TYR 24 Cb 1.09 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 39.29 1idp h TYR 24 CO 0.01 0.22 0.10 0.93 -1.32 0.00 0.00 178.16 178.10 1idp h GLU 25 N 0.10 0.87 0.27 1.82 4.39 -0.87 0.67 114.58 121.83 1idp h GLU 25 Ca 0.05 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1idp h GLU 25 Cb 0.10 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1idp h GLU 25 CO -0.01 0.80 -0.33 2.35 -1.16 0.00 0.00 179.01 180.67 1idp h TRP 26 N 0.82 -0.88 -0.26 4.33 7.01 -0.86 -0.48 115.95 125.63 1idp h TRP 26 Ca 0.17 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 1idp h TRP 26 Cb 0.36 0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.76 1idp h TRP 26 CO 0.02 -0.46 0.10 0.00 -2.79 0.00 0.00 178.44 175.32 1idp h ALA 27 N -0.10 0.33 0.00 2.65 0.00 -1.11 -1.91 119.26 119.12 1idp h ALA 27 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1idp h ALA 27 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1idp h ALA 27 CO -0.10 -0.07 -0.43 0.22 0.00 0.00 0.00 179.25 178.87 1idp h ASP 28 N 0.26 0.00 -0.31 0.00 3.58 -0.86 -1.36 116.42 117.74 1idp h ASP 28 Ca 0.09 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.41 1idp h ASP 28 Cb 0.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1idp h ASP 28 CO -0.01 0.43 -0.30 0.28 -2.88 0.00 0.00 179.24 176.77 1idp h SER 29 N 0.00 0.80 -0.32 2.28 0.02 -0.95 0.41 113.55 115.78 1idp h SER 29 Ca -0.00 -0.47 0.06 0.00 -0.84 0.00 0.00 61.79 60.54 1idp h SER 29 Cb 0.85 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.10 1idp h SER 29 CO 0.06 1.10 -0.09 1.88 -1.14 0.00 0.00 176.83 178.64 1idp h TYR 30 N 0.51 -0.19 -0.04 3.45 -1.99 -1.03 0.82 116.97 118.50 1idp h TYR 30 Ca 0.05 0.03 -0.19 0.00 2.00 0.00 0.00 58.73 60.62 1idp h TYR 30 Cb 0.87 0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.72 1idp h TYR 30 CO 0.07 -0.15 -0.79 -0.44 -0.00 0.00 0.00 178.16 176.85 1idp h ASP 31 N -0.01 0.38 -0.36 3.88 3.32 -1.03 -2.29 116.42 120.32 1idp h ASP 31 Ca 0.16 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1idp h ASP 31 Cb 0.25 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1idp h ASP 31 CO -0.34 1.02 0.00 -1.54 -1.72 0.00 0.00 179.24 176.67 1idp n SER 32 N -3.77 2.25 -4.15 6.45 3.41 0.11 -4.77 113.62 113.15 1idp n SER 32 Ca -0.04 -1.92 -0.34 0.00 -0.26 0.00 0.00 58.87 56.31 1idp n SER 32 Cb 0.74 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 1idp n SER 32 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1idp n LYS 33 N 0.71 -3.41 -3.39 4.33 5.02 0.06 -4.91 118.16 116.58 1idp n LYS 33 Ca 0.15 0.40 -0.45 0.00 -2.02 0.00 0.00 58.31 56.39 1idp n LYS 33 Cb 0.38 -5.03 -0.04 0.00 -0.02 0.00 0.00 35.03 30.33 1idp n LYS 33 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1idp s ASP 34 N -3.49 6.47 0.35 4.39 -1.08 0.04 -4.92 116.67 118.43 1idp s ASP 34 Ca 0.60 -2.62 0.19 0.00 -0.52 0.00 0.00 52.55 50.20 1idp s ASP 34 Cb -0.33 -2.15 0.33 0.00 -1.46 0.00 0.00 42.92 39.32 1idp s ASP 34 CO 0.91 -0.57 1.57 -0.50 0.52 0.00 0.00 175.17 177.10 1idp h TRP 35 N 7.79 0.00 -0.16 -5.34 -0.00 -1.91 -2.28 115.95 114.05 1idp h TRP 35 Ca 0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 58.89 58.74 1idp h TRP 35 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.20 1idp h TRP 35 CO 0.95 0.34 -0.69 -0.44 -0.00 0.00 0.00 178.44 178.60 1idp h ASP 36 N 0.00 0.79 -0.55 -3.49 3.32 -1.98 -1.73 116.42 112.78 1idp h ASP 36 Ca -0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 1idp h ASP 36 Cb 1.15 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 1idp h ASP 36 CO 0.04 1.26 0.27 -0.09 -1.72 0.00 0.00 179.24 179.00 1idp h ARG 37 N 0.48 0.83 0.00 3.56 2.43 -1.91 -2.40 114.38 117.37 1idp h ARG 37 Ca -0.03 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1idp h ARG 37 Cb 1.29 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1idp h ARG 37 CO 0.14 0.65 -0.00 1.25 -1.51 0.00 0.00 179.97 180.50 1idp h LEU 38 N 0.83 -0.00 -1.23 3.80 5.85 -1.27 -2.55 115.31 120.74 1idp h LEU 38 Ca 0.20 -0.28 0.33 0.00 0.84 0.00 0.00 57.88 58.97 1idp h LEU 38 Cb 0.11 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.02 1idp h LEU 38 CO -0.02 0.28 0.68 0.03 -0.34 0.00 0.00 178.44 179.07 1idp h ARG 39 N -0.29 0.30 0.00 1.25 3.08 -1.03 -0.12 114.38 117.56 1idp h ARG 39 Ca -0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1idp h ARG 39 Cb 0.29 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1idp h ARG 39 CO 0.00 0.20 -0.13 0.87 -1.07 0.00 0.00 179.97 179.83 1idp h LYS 40 N 0.30 0.00 -0.01 0.04 1.57 -0.99 -3.21 116.57 114.28 1idp h LYS 40 Ca 0.71 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.49 1idp h LYS 40 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1idp h LYS 40 CO -0.45 0.13 -0.05 1.33 -0.57 0.00 0.00 179.45 179.84 1idp n VAL 41 N -3.70 0.00 -3.58 0.50 0.24 -0.09 -5.03 118.33 106.67 1idp n VAL 41 Ca -0.02 -0.47 -0.33 0.00 -2.04 0.00 0.00 64.34 61.48 1idp n VAL 41 Cb 0.25 1.13 -0.05 0.00 -1.47 0.00 0.00 33.84 33.69 1idp n VAL 41 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1idp s ILE 42 N -0.79 5.09 0.93 1.34 -4.36 -1.04 -0.09 121.20 122.28 1idp s ILE 42 Ca 0.07 0.28 -0.11 0.00 -0.26 0.00 0.00 60.65 60.63 1idp s ILE 42 Cb 0.06 -3.63 0.15 0.00 1.25 0.00 0.00 42.46 40.29 1idp s ILE 42 CO 0.12 0.10 1.09 0.00 0.24 0.00 0.00 174.94 176.49 1idp s ALA 43 N -1.60 1.27 0.40 2.27 0.00 0.04 -4.77 121.76 119.37 1idp s ALA 43 Ca 0.40 0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.49 1idp s ALA 43 Cb -0.13 -3.24 0.88 0.00 0.00 0.00 0.00 23.12 20.63 1idp s ALA 43 CO 0.22 -2.60 1.98 -1.35 0.00 0.00 0.00 175.76 174.00 1idp h PRO 44 N -1.73 0.57 -4.77 0.00 0.11 -1.94 -3.40 132.00 120.83 1idp h PRO 44 Ca -0.50 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.31 1idp h PRO 44 Cb 1.29 -0.13 -0.16 0.00 0.11 0.00 0.00 31.00 32.10 1idp h PRO 44 CO 0.52 0.38 -0.71 0.95 -0.21 0.00 0.00 178.00 178.92 1idp s THR 45 N -5.54 0.80 -0.02 -1.15 -4.23 -1.26 -0.55 115.64 103.69 1idp s THR 45 Ca -0.09 -1.77 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1idp s THR 45 Cb 0.19 -1.49 -0.00 0.00 1.34 0.00 0.00 72.50 72.54 1idp s THR 45 CO 0.76 -0.72 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.26 1idp s LEU 46 N -2.73 1.88 -0.47 4.79 1.02 0.14 -4.82 118.68 118.50 1idp s LEU 46 Ca 0.08 -0.19 -0.25 0.00 0.02 0.00 0.00 54.13 53.79 1idp s LEU 46 Cb 0.01 -0.56 0.03 0.00 0.02 0.00 0.00 46.19 45.68 1idp s LEU 46 CO -0.02 0.09 0.92 -0.60 0.02 0.00 0.00 176.35 176.76 1idp s ARG 47 N 0.02 3.51 -0.39 1.70 3.52 -0.44 0.01 118.95 126.87 1idp s ARG 47 Ca -0.00 0.12 -0.03 0.00 -0.13 0.00 0.00 55.73 55.68 1idp s ARG 47 Cb -0.07 -3.93 0.10 0.00 -1.56 0.00 0.00 34.95 29.49 1idp s ARG 47 CO 0.00 -1.23 0.18 0.42 -0.81 0.00 0.00 175.30 173.86 1idp s ILE 48 N 3.73 3.27 -0.48 4.11 -1.09 0.33 -1.01 121.20 130.06 1idp s ILE 48 Ca 0.36 -1.95 -0.10 0.00 -2.23 0.00 0.00 60.65 56.73 1idp s ILE 48 Cb -0.10 -3.20 0.12 0.00 -1.58 0.00 0.00 42.46 37.70 1idp s ILE 48 CO 0.26 -0.61 0.37 -0.62 -1.23 0.00 0.00 174.94 173.11 1idp s ASP 49 N 1.75 5.78 -0.05 3.58 -1.08 -0.47 -1.18 116.67 125.00 1idp s ASP 49 Ca 0.07 -1.90 0.16 0.00 -0.52 0.00 0.00 52.55 50.35 1idp s ASP 49 Cb -0.22 -2.04 0.52 0.00 -1.46 0.00 0.00 42.92 39.71 1idp s ASP 49 CO -0.04 -0.72 1.43 -1.22 0.52 0.00 0.00 175.17 175.15 1idp n TYR 50 N 4.95 0.89 -0.16 -5.34 4.01 0.13 -3.97 117.16 117.67 1idp n TYR 50 Ca -0.09 -0.57 0.28 0.00 -0.16 0.00 0.00 57.90 57.37 1idp n TYR 50 Cb 0.41 -0.11 0.72 0.00 -0.31 0.00 0.00 39.34 40.05 1idp n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1idp h ARG 51 N 3.04 0.00 -0.13 -0.72 3.08 -1.78 0.17 114.38 118.05 1idp h ARG 51 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1idp h ARG 51 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1idp h ARG 51 CO 0.08 0.00 -0.09 0.66 -1.07 0.00 0.00 179.97 179.55 1idp h SER 52 N 0.00 0.18 0.00 7.04 4.64 -1.89 -2.89 113.55 120.63 1idp h SER 52 Ca 0.42 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1idp h SER 52 Cb 1.74 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1idp h SER 52 CO -0.00 0.30 -0.15 2.22 -0.87 0.00 0.00 176.83 178.32 1idp n PHE 53 N -4.33 0.00 0.00 4.77 1.16 0.20 -4.83 117.46 114.42 1idp n PHE 53 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.57 1idp n PHE 53 Cb 0.22 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.09 1idp n PHE 53 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1idp n LEU 54 N -0.69 0.00 -3.14 5.98 4.77 0.33 -5.01 117.00 119.24 1idp n LEU 54 Ca 0.00 -0.31 -0.23 0.00 -0.03 0.00 0.00 56.01 55.44 1idp n LEU 54 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1idp n LEU 54 CO 0.00 0.00 0.02 -0.67 -1.33 0.00 0.00 177.39 175.41 1idp n ASP 55 N -0.74 -5.89 -4.11 -1.43 4.64 -1.09 -4.93 116.55 102.99 1idp n ASP 55 Ca 0.00 -0.33 -0.25 0.00 -1.38 0.00 0.00 54.79 52.82 1idp n ASP 55 Cb 0.00 -4.75 -0.16 0.00 -1.04 0.00 0.00 41.12 35.17 1idp n ASP 55 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1idp s LYS 56 N -5.82 1.69 -0.05 -0.67 1.02 -1.26 -4.87 119.74 109.78 1idp s LYS 56 Ca 0.35 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.80 1idp s LYS 56 Cb -0.16 -1.46 0.02 0.00 -0.52 0.00 0.00 37.83 35.71 1idp s LYS 56 CO 0.44 0.20 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.84 1idp s LEU 57 N 0.12 1.36 -0.23 3.17 2.96 -1.26 -0.70 118.68 124.11 1idp s LEU 57 Ca -0.05 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1idp s LEU 57 Cb -0.12 -0.52 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 1idp s LEU 57 CO 0.02 -0.04 -0.02 0.26 -1.32 0.00 0.00 176.35 175.25 1idp s TRP 58 N 0.91 2.99 0.20 5.38 0.51 -0.32 -5.00 118.94 123.61 1idp s TRP 58 Ca -0.11 -0.91 0.10 0.00 -2.12 0.00 0.00 56.10 53.06 1idp s TRP 58 Cb -0.14 -2.13 0.17 0.00 -0.81 0.00 0.00 33.47 30.55 1idp s TRP 58 CO 0.00 -0.54 1.50 0.93 -0.51 0.00 0.00 176.95 178.34 1idp h GLU 59 N 8.13 0.00 -0.80 4.98 5.08 -1.86 0.94 114.58 131.05 1idp h GLU 59 Ca -0.40 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.63 1idp h GLU 59 Cb 1.16 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.15 1idp h GLU 59 CO 0.60 0.73 -0.75 0.00 -1.00 0.00 0.00 179.01 178.59 1idp n ALA 60 N -2.39 0.50 -1.85 3.43 0.00 -1.20 -3.59 120.51 115.42 1idp n ALA 60 Ca -0.01 -2.25 -0.42 0.00 0.00 0.00 0.00 53.44 50.76 1idp n ALA 60 Cb 0.72 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 1idp n ALA 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1idp s MET 61 N -0.88 4.17 0.48 0.00 1.75 0.10 -4.53 119.30 120.39 1idp s MET 61 Ca 0.29 2.43 -0.24 0.00 -1.25 0.00 0.00 55.69 56.93 1idp s MET 61 Cb 0.32 -3.56 -0.08 0.00 2.84 0.00 0.00 34.83 34.35 1idp s MET 61 CO -0.06 -0.77 1.30 -2.30 -0.65 0.00 0.00 175.02 172.54 1idp n PRO 62 N 5.51 1.84 -0.24 4.11 -0.02 -1.26 0.26 135.00 145.20 1idp n PRO 62 Ca 0.16 0.66 0.04 0.00 -2.02 0.00 0.00 63.50 62.35 1idp n PRO 62 Cb 0.39 -2.46 0.16 0.00 -0.02 0.00 0.00 33.50 31.57 1idp n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1idp h ALA 63 N 1.81 0.85 -0.25 3.55 0.00 -1.03 -0.17 119.26 124.03 1idp h ALA 63 Ca -0.49 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1idp h ALA 63 Cb 1.30 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1idp h ALA 63 CO 0.59 -0.35 -0.12 0.93 0.00 0.00 0.00 179.25 180.29 1idp h GLU 64 N 0.22 0.41 -0.03 0.00 4.39 -1.91 -0.77 114.58 116.89 1idp h GLU 64 Ca 0.39 -0.11 -0.19 0.00 0.34 0.00 0.00 59.36 59.79 1idp h GLU 64 Cb 0.66 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1idp h GLU 64 CO -0.52 0.53 -0.80 1.49 -1.16 0.00 0.00 179.01 178.56 1idp h GLU 65 N 0.38 0.29 -0.21 2.33 4.81 -1.50 -0.02 114.58 120.67 1idp h GLU 65 Ca 0.07 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1idp h GLU 65 Cb 0.44 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1idp h GLU 65 CO 0.03 0.95 0.01 0.35 -0.73 0.00 0.00 179.01 179.62 1idp h PHE 66 N 0.19 0.39 -0.74 0.92 3.57 -0.68 -0.66 116.94 119.92 1idp h PHE 66 Ca -0.04 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 1idp h PHE 66 Cb 1.39 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 1idp h PHE 66 CO 0.04 0.53 0.32 0.28 -2.23 0.00 0.00 178.31 177.24 1idp h VAL 67 N 0.13 1.24 -0.49 1.41 2.07 -1.04 -1.08 116.25 118.50 1idp h VAL 67 Ca 0.06 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 66.90 1idp h VAL 67 Cb 0.37 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1idp h VAL 67 CO 0.01 0.31 0.18 1.23 0.02 0.00 0.00 177.57 179.32 1idp h GLY 68 N 1.12 0.66 0.87 2.17 0.00 -0.89 -1.40 103.07 105.59 1idp h GLY 68 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1idp h GLY 68 CO -0.02 0.02 -0.11 1.98 0.00 0.00 0.00 176.54 178.41 1idp h MET 69 N 0.37 -0.29 -0.21 4.80 -1.53 -0.46 -2.63 114.93 114.99 1idp h MET 69 Ca 0.23 0.02 -0.09 0.00 -3.44 0.00 0.00 59.70 56.42 1idp h MET 69 Cb 0.23 0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 1idp h MET 69 CO -0.23 -0.09 -0.27 0.28 0.14 0.00 0.00 176.91 176.73 1idp h VAL 70 N -0.44 1.27 -0.00 -5.77 2.07 -1.18 -3.03 116.25 109.17 1idp h VAL 70 Ca -0.03 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1idp h VAL 70 Cb 0.33 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1idp h VAL 70 CO 0.05 0.40 -0.17 -1.54 0.02 0.00 0.00 177.57 176.32 1idp n SER 71 N -4.12 0.52 -4.75 0.57 3.41 -0.53 -0.45 113.62 108.28 1idp n SER 71 Ca -0.01 -0.47 -0.34 0.00 -0.26 0.00 0.00 58.87 57.80 1idp n SER 71 Cb 0.41 -0.04 0.07 0.00 -0.26 0.00 0.00 64.21 64.38 1idp n SER 71 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1idp s SER 72 N -2.60 4.70 0.54 4.04 1.04 -0.99 -3.09 113.70 117.34 1idp s SER 72 Ca 0.24 2.21 0.21 0.00 0.48 0.00 0.00 55.95 59.09 1idp s SER 72 Cb 0.19 -2.57 1.48 0.00 0.10 0.00 0.00 66.02 65.22 1idp s SER 72 CO 0.52 -1.91 2.18 0.11 0.98 0.00 0.00 173.24 175.12 1idp h LYS 73 N -0.01 0.00 0.00 4.02 6.56 -1.90 0.62 116.57 125.87 1idp h LYS 73 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1idp h LYS 73 Cb 1.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 1idp h LYS 73 CO 0.52 0.01 0.00 1.96 -2.06 0.00 0.00 179.45 179.88 1idp h GLN 74 N 0.00 0.00 0.00 3.15 7.50 -1.92 -3.31 115.11 120.53 1idp h GLN 74 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1idp h GLN 74 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.55 1idp h GLN 74 CO 0.00 0.00 0.00 0.28 -1.50 0.00 0.00 178.83 177.61 1idp n VAL 75 N -2.86 0.00 -0.06 -0.54 0.31 -0.27 -5.00 118.33 109.91 1idp n VAL 75 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1idp n VAL 75 Cb 0.30 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1idp n VAL 75 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1idp n LEU 76 N 0.00 1.16 0.06 7.52 4.77 0.41 -4.66 117.00 126.26 1idp n LEU 76 Ca 0.00 -1.16 0.13 0.00 -0.03 0.00 0.00 56.01 54.95 1idp n LEU 76 Cb 0.00 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.48 1idp n LEU 76 CO 0.00 0.29 0.73 0.61 -1.33 0.00 0.00 177.39 177.69 1idp n GLY 77 N -0.11 -1.54 3.65 -0.72 0.00 0.05 -4.84 105.19 101.69 1idp n GLY 77 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1idp n GLY 77 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1idp n ASP 78 N -1.94 4.06 0.05 1.61 -0.08 -1.25 -4.69 116.55 114.30 1idp n ASP 78 Ca 0.05 0.82 0.10 0.00 -1.51 0.00 0.00 54.79 54.25 1idp n ASP 78 Cb 0.40 -1.53 0.43 0.00 2.34 0.00 0.00 41.12 42.75 1idp n ASP 78 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1idp n PRO 79 N 7.68 0.08 0.00 -0.67 -0.04 -1.26 -1.51 135.00 139.29 1idp n PRO 79 Ca 0.21 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 1idp n PRO 79 Cb 0.41 -1.63 0.46 0.00 -0.04 0.00 0.00 33.50 32.70 1idp n PRO 79 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1idp n THR 80 N -1.79 0.00 -3.45 0.52 -2.24 -1.26 -4.84 114.28 101.23 1idp n THR 80 Ca 0.04 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 1idp n THR 80 Cb 0.25 0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 1idp n THR 80 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1idp s LEU 81 N -2.58 4.24 -0.07 3.22 2.96 -0.57 -1.40 118.68 124.49 1idp s LEU 81 Ca 0.24 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.78 1idp s LEU 81 Cb 0.19 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 1idp s LEU 81 CO 0.53 0.05 -0.16 -0.13 -1.32 0.00 0.00 176.35 175.32 1idp s ARG 82 N 0.62 2.73 0.09 1.98 1.81 0.20 -4.94 118.95 121.43 1idp s ARG 82 Ca 0.20 -0.73 0.02 0.00 -1.72 0.00 0.00 55.73 53.49 1idp s ARG 82 Cb -0.14 -2.40 -0.04 0.00 -0.45 0.00 0.00 34.95 31.92 1idp s ARG 82 CO 0.06 0.48 -0.07 0.95 -0.68 0.00 0.00 175.30 176.04 1idp s THR 83 N -0.36 0.64 -0.13 0.02 -4.23 -1.26 -1.47 115.64 108.86 1idp s THR 83 Ca 0.03 -1.79 -0.02 0.00 -1.18 0.00 0.00 61.69 58.73 1idp s THR 83 Cb -0.12 -1.50 0.04 0.00 1.34 0.00 0.00 72.50 72.25 1idp s THR 83 CO 0.02 -0.80 0.01 -1.58 -0.54 0.00 0.00 174.62 171.73 1idp s GLN 84 N -3.48 0.73 -1.24 3.99 0.74 -0.57 -4.80 119.66 115.03 1idp s GLN 84 Ca 0.08 -0.16 -0.14 0.00 0.05 0.00 0.00 55.36 55.19 1idp s GLN 84 Cb 0.03 -1.53 0.15 0.00 1.10 0.00 0.00 33.01 32.76 1idp s GLN 84 CO -0.04 -0.45 1.57 0.72 -0.55 0.00 0.00 175.29 176.54 1idp n HIS 85 N 5.08 4.58 -2.62 1.67 8.25 -1.26 -3.45 115.22 127.47 1idp n HIS 85 Ca -0.08 -3.19 -0.43 0.00 -0.26 0.00 0.00 57.72 53.75 1idp n HIS 85 Cb 0.49 -2.22 -0.02 0.00 1.12 0.00 0.00 29.99 29.35 1idp n HIS 85 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1idp s PHE 86 N 1.78 3.17 -0.25 4.41 5.36 0.07 -4.86 117.98 127.66 1idp s PHE 86 Ca 0.44 1.26 -0.18 0.00 -0.96 0.00 0.00 56.93 57.48 1idp s PHE 86 Cb 0.00 -3.56 -0.03 0.00 -0.34 0.00 0.00 43.02 39.10 1idp s PHE 86 CO 0.01 -0.78 0.54 0.42 -1.46 0.00 0.00 175.22 173.95 1idp s ILE 87 N 3.54 5.06 0.00 3.12 1.01 -1.26 -1.69 121.20 130.98 1idp s ILE 87 Ca 0.46 0.94 0.00 0.00 0.00 0.00 0.00 60.65 62.05 1idp s ILE 87 Cb -0.14 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1idp s ILE 87 CO 0.13 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1idp n GLY 88 N 4.26 0.94 3.75 6.18 0.00 -0.11 -5.02 105.19 115.19 1idp n GLY 88 Ca -0.04 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1idp n GLY 88 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1idp s GLY 89 N 0.00 2.30 -0.05 -0.02 0.00 -1.26 -4.58 107.32 103.70 1idp s GLY 89 Ca 0.00 1.53 0.01 0.00 0.00 0.00 0.00 44.72 46.26 1idp s GLY 89 CO 0.00 2.45 -0.06 -1.59 0.00 0.00 0.00 173.10 173.89 1idp s THR 90 N -0.21 0.66 0.29 0.90 2.01 -1.26 -1.10 115.64 116.93 1idp s THR 90 Ca 0.61 -0.20 0.10 0.00 0.31 0.00 0.00 61.69 62.50 1idp s THR 90 Cb -0.46 -0.66 -0.06 0.00 0.01 0.00 0.00 72.50 71.33 1idp s THR 90 CO 0.50 0.25 -0.13 0.00 -0.69 0.00 0.00 174.62 174.54 1idp s ARG 91 N 0.84 1.63 0.10 4.92 1.70 -0.79 -4.99 118.95 122.37 1idp s ARG 91 Ca -0.12 -1.79 0.06 0.00 -0.47 0.00 0.00 55.73 53.41 1idp s ARG 91 Cb -0.15 -1.52 -0.03 0.00 -0.57 0.00 0.00 34.95 32.67 1idp s ARG 91 CO 0.01 0.20 -0.16 -1.58 -1.08 0.00 0.00 175.30 172.69 1idp s TRP 92 N -2.71 1.42 -0.04 5.89 0.52 -1.26 -0.96 118.94 121.80 1idp s TRP 92 Ca 0.29 -0.49 -0.00 0.00 0.02 0.00 0.00 56.10 55.92 1idp s TRP 92 Cb -0.01 -0.77 0.03 0.00 -1.15 0.00 0.00 33.47 31.57 1idp s TRP 92 CO 0.13 0.13 0.01 -1.21 0.02 0.00 0.00 176.95 176.04 1idp s GLU 93 N -2.20 0.32 -0.17 4.98 2.02 -0.54 -5.01 118.70 118.10 1idp s GLU 93 Ca 0.05 0.13 -0.29 0.00 0.02 0.00 0.00 54.97 54.88 1idp s GLU 93 Cb -0.08 -0.61 -0.01 0.00 0.10 0.00 0.00 34.13 33.54 1idp s GLU 93 CO 0.03 -0.20 1.16 0.21 0.02 0.00 0.00 175.26 176.48 1idp s LYS 94 N 1.43 4.27 -0.13 1.61 2.20 -1.26 -1.25 119.74 126.60 1idp s LYS 94 Ca -0.04 1.54 -0.11 0.00 -0.36 0.00 0.00 55.97 57.00 1idp s LYS 94 Cb -0.13 -3.68 -0.25 0.00 -1.51 0.00 0.00 37.83 32.25 1idp s LYS 94 CO -0.03 -0.62 0.37 0.28 -0.36 0.00 0.00 175.35 174.99 1idp h VAL 95 N 5.40 0.73 -2.58 4.02 2.07 -1.15 -3.47 116.25 121.27 1idp h VAL 95 Ca -0.25 -2.33 -0.02 0.00 0.82 0.00 0.00 66.70 64.92 1idp h VAL 95 Cb 1.10 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1idp h VAL 95 CO 0.96 0.77 0.14 -1.54 0.02 0.00 0.00 177.57 177.91 1idp n SER 96 N -3.71 -1.24 0.23 0.57 3.41 -0.73 -4.95 113.62 107.20 1idp n SER 96 Ca -0.31 -1.89 0.16 0.00 -0.26 0.00 0.00 58.87 56.57 1idp n SER 96 Cb 0.97 2.07 0.72 0.00 -0.26 0.00 0.00 64.21 67.72 1idp n SER 96 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1idp h GLU 97 N 0.00 0.00 0.00 4.33 4.39 -2.03 -3.06 114.58 118.21 1idp h GLU 97 Ca -0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1idp h GLU 97 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1idp h GLU 97 CO 0.23 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 177.68 1idp n ASP 98 N -2.68 1.16 -3.94 1.42 5.75 -1.26 -4.89 116.55 112.11 1idp n ASP 98 Ca -0.00 -1.57 -0.19 0.00 -0.01 0.00 0.00 54.79 53.02 1idp n ASP 98 Cb 0.18 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.12 1idp n ASP 98 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1idp s GLU 99 N -0.57 0.79 0.01 0.11 2.12 -1.16 -0.43 118.70 119.58 1idp s GLU 99 Ca 0.00 -0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.16 1idp s GLU 99 Cb 0.00 -0.77 -0.01 0.00 0.26 0.00 0.00 34.13 33.61 1idp s GLU 99 CO 0.00 0.02 -0.04 0.08 -0.54 0.00 0.00 175.26 174.77 1idp s VAL 100 N 0.49 0.31 -0.10 3.70 1.01 -0.45 -0.51 120.40 124.85 1idp s VAL 100 Ca -0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1idp s VAL 100 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1idp s VAL 100 CO 0.00 -0.07 -0.05 0.27 0.00 0.00 0.00 175.10 175.24 1idp s ILE 101 N -0.48 3.81 -0.15 2.22 -4.36 -0.38 -0.56 121.20 121.30 1idp s ILE 101 Ca -0.03 -0.42 -0.02 0.00 -0.26 0.00 0.00 60.65 59.92 1idp s ILE 101 Cb -0.04 -2.60 -0.02 0.00 1.25 0.00 0.00 42.46 41.05 1idp s ILE 101 CO -0.00 0.57 -0.07 -0.83 0.24 0.00 0.00 174.94 174.85 1idp s GLY 102 N -0.46 1.65 -0.35 6.27 0.00 -0.18 -1.46 107.32 112.79 1idp s GLY 102 Ca 0.07 -0.85 -0.17 0.00 0.00 0.00 0.00 44.72 43.78 1idp s GLY 102 CO 0.02 -0.11 0.45 -0.19 0.00 0.00 0.00 173.10 173.27 1idp s TYR 103 N 0.36 3.19 -0.14 1.90 2.02 -0.13 -0.54 117.35 124.01 1idp s TYR 103 Ca -0.07 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 1idp s TYR 103 Cb -0.15 -2.82 0.01 0.00 -0.40 0.00 0.00 41.96 38.60 1idp s TYR 103 CO 0.04 -0.50 -0.21 -1.01 -1.57 0.00 0.00 175.55 172.30 1idp s HIS 104 N 2.23 2.67 0.22 2.71 3.76 -0.06 -1.88 115.29 124.94 1idp s HIS 104 Ca 0.16 -1.27 -0.31 0.00 -0.15 0.00 0.00 55.06 53.49 1idp s HIS 104 Cb -0.16 -1.81 -0.11 0.00 1.11 0.00 0.00 32.58 31.61 1idp s HIS 104 CO 0.13 -0.57 1.66 -0.65 -0.85 0.00 0.00 174.74 174.46 1idp s GLN 105 N 0.75 4.14 -0.07 1.40 -0.21 -0.26 -0.72 119.66 124.68 1idp s GLN 105 Ca -0.08 2.55 0.02 0.00 0.02 0.00 0.00 55.36 57.87 1idp s GLN 105 Cb -0.16 -3.08 0.01 0.00 1.00 0.00 0.00 33.01 30.79 1idp s GLN 105 CO -0.00 -0.70 -0.12 -1.17 -2.12 0.00 0.00 175.29 171.19 1idp s LEU 106 N 0.79 1.59 -0.10 2.90 2.96 -0.56 -0.93 118.68 125.33 1idp s LEU 106 Ca 0.71 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 1idp s LEU 106 Cb -0.48 -0.81 -0.00 0.00 0.50 0.00 0.00 46.19 45.39 1idp s LEU 106 CO 0.35 0.02 -0.23 -0.60 -1.32 0.00 0.00 176.35 174.57 1idp s ARG 107 N 0.77 3.02 -0.67 1.98 3.52 -0.68 -1.30 118.95 125.59 1idp s ARG 107 Ca -0.13 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.64 1idp s ARG 107 Cb -0.15 -2.32 0.16 0.00 -1.56 0.00 0.00 34.95 31.08 1idp s ARG 107 CO 0.02 0.21 0.46 0.08 -0.81 0.00 0.00 175.30 175.27 1idp s VAL 108 N 0.27 3.09 0.32 7.11 1.01 0.25 -0.75 120.40 131.71 1idp s VAL 108 Ca -0.16 -3.83 -0.29 0.00 0.00 0.00 0.00 61.98 57.70 1idp s VAL 108 Cb -0.17 -3.04 -0.12 0.00 0.00 0.00 0.00 36.38 33.05 1idp s VAL 108 CO 0.08 -0.95 1.34 -0.81 0.00 0.00 0.00 175.10 174.77 1idp n PRO 109 N 2.49 2.17 -3.86 2.72 -0.04 -1.22 -1.89 135.00 135.36 1idp n PRO 109 Ca 0.15 0.76 -0.09 0.00 -0.04 0.00 0.00 63.50 64.27 1idp n PRO 109 Cb 0.35 -2.38 -0.05 0.00 -0.04 0.00 0.00 33.50 31.37 1idp n PRO 109 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1idp s HIS 110 N -0.82 0.14 -0.21 0.54 -3.43 -0.14 -1.51 115.29 109.85 1idp s HIS 110 Ca 0.58 -0.50 -0.16 0.00 -0.80 0.00 0.00 55.06 54.19 1idp s HIS 110 Cb -0.58 0.19 0.06 0.00 -1.43 0.00 0.00 32.58 30.82 1idp s HIS 110 CO 0.59 -0.84 0.54 -1.14 -2.00 0.00 0.00 174.74 171.89 1idp s GLN 111 N -3.93 0.59 -0.05 -0.38 0.74 -0.54 -1.32 119.66 114.77 1idp s GLN 111 Ca 0.14 0.86 0.05 0.00 0.05 0.00 0.00 55.36 56.45 1idp s GLN 111 Cb 0.01 0.19 -0.02 0.00 1.10 0.00 0.00 33.01 34.29 1idp s GLN 111 CO -0.01 -0.11 -0.19 1.03 -0.55 0.00 0.00 175.29 175.46 1idp s ARG 112 N 0.84 2.50 0.16 1.67 0.52 0.62 -0.63 118.95 124.63 1idp s ARG 112 Ca -0.04 -0.80 -0.01 0.00 -0.52 0.00 0.00 55.73 54.35 1idp s ARG 112 Cb -0.05 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 1idp s ARG 112 CO -0.07 0.52 0.35 0.71 0.02 0.00 0.00 175.30 176.83 1idp s TYR 113 N -0.48 3.49 0.33 -0.53 1.51 -0.49 -0.26 117.35 120.92 1idp s TYR 113 Ca 0.06 0.36 0.01 0.00 -1.01 0.00 0.00 57.07 56.50 1idp s TYR 113 Cb -0.12 -1.86 0.59 0.00 -0.11 0.00 0.00 41.96 40.46 1idp s TYR 113 CO 0.01 0.43 1.98 1.57 -1.11 0.00 0.00 175.55 178.44 1idp h LYS 114 N 2.38 0.91 0.00 -0.62 -0.00 0.08 -3.44 116.57 115.88 1idp h LYS 114 Ca -0.47 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.65 60.06 1idp h LYS 114 Cb 1.18 -0.20 -0.01 0.00 -0.00 0.00 0.00 32.23 33.19 1idp h LYS 114 CO 0.70 0.60 0.00 -0.40 -0.00 0.00 0.00 179.45 180.36 1idp n ASP 115 N -4.44 -0.54 0.00 7.07 3.85 -1.26 -5.04 116.55 116.19 1idp n ASP 115 Ca 0.09 -1.57 0.12 0.00 -0.71 0.00 0.00 54.79 52.72 1idp n ASP 115 Cb 0.08 0.96 0.72 0.00 -1.35 0.00 0.00 41.12 41.53 1idp n ASP 115 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1idp n THR 116 N -0.18 0.00 0.54 2.12 -1.04 -1.26 -1.02 114.28 113.44 1idp n THR 116 Ca -0.01 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.13 1idp n THR 116 Cb 0.19 -0.41 0.41 0.00 -1.82 0.00 0.00 70.33 68.70 1idp n THR 116 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1idp h THR 117 N 0.00 0.00 -5.87 12.58 1.35 -1.98 -3.48 112.91 115.51 1idp h THR 117 Ca 0.00 -0.47 -0.39 0.00 -0.55 0.00 0.00 66.41 64.99 1idp h THR 117 Cb 0.00 1.42 0.12 0.00 -1.73 0.00 0.00 68.15 67.97 1idp h THR 117 CO 0.00 0.00 -0.72 0.23 -0.25 0.00 0.00 175.52 174.78 1idp n MET 118 N -2.35 -7.16 -0.01 4.72 2.81 -0.19 -4.90 117.12 110.05 1idp n MET 118 Ca 0.05 0.79 0.01 0.00 -1.81 0.00 0.00 57.70 56.74 1idp n MET 118 Cb 0.40 -5.79 -0.02 0.00 -0.71 0.00 0.00 33.22 27.09 1idp n MET 118 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1idp n LYS 119 N -4.70 1.08 -4.00 0.03 4.01 -1.26 -4.95 118.16 108.37 1idp n LYS 119 Ca -0.08 -0.02 -0.31 0.00 -0.51 0.00 0.00 58.31 57.38 1idp n LYS 119 Cb 0.59 -1.08 -0.15 0.00 -0.51 0.00 0.00 35.03 33.89 1idp n LYS 119 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1idp s GLU 120 N -2.18 1.55 -0.30 1.97 2.12 -1.26 -5.04 118.70 115.56 1idp s GLU 120 Ca -0.01 -1.93 -0.29 0.00 0.36 0.00 0.00 54.97 53.10 1idp s GLU 120 Cb 0.02 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.16 1idp s GLU 120 CO 0.13 -0.96 1.27 0.08 -0.54 0.00 0.00 175.26 175.24 1idp s VAL 121 N 0.83 4.19 -0.57 3.70 1.01 -1.26 0.82 120.40 129.12 1idp s VAL 121 Ca 0.11 1.35 0.23 0.00 0.00 0.00 0.00 61.98 63.67 1idp s VAL 121 Cb -0.20 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 1idp s VAL 121 CO -0.07 -0.47 1.13 0.35 0.00 0.00 0.00 175.10 176.03 1idp n THR 122 N 6.15 0.28 -3.58 3.92 -2.24 0.64 -4.88 114.28 114.57 1idp n THR 122 Ca 0.14 -0.29 -0.02 0.00 -2.27 0.00 0.00 64.05 61.61 1idp n THR 122 Cb 0.47 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 1idp n THR 122 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1idp s MET 123 N -3.21 0.43 0.13 -0.78 0.00 -1.17 -4.99 119.30 109.71 1idp s MET 123 Ca 0.04 0.85 0.09 0.00 0.00 0.00 0.00 55.69 56.67 1idp s MET 123 Cb 0.13 0.26 -0.04 0.00 0.00 0.00 0.00 34.83 35.19 1idp s MET 123 CO 0.77 -0.11 -0.21 0.15 0.00 0.00 0.00 175.02 175.62 1idp s LYS 124 N 1.83 1.24 0.00 4.11 1.02 -1.26 -0.27 119.74 126.40 1idp s LYS 124 Ca -0.07 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.63 1idp s LYS 124 Cb -0.05 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 35.78 1idp s LYS 124 CO -0.17 0.33 0.00 0.41 -0.92 0.00 0.00 175.35 175.00 1idp n GLY 125 N 0.76 -0.86 2.81 -3.33 0.00 -0.43 -4.98 105.19 99.15 1idp n GLY 125 Ca -0.17 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 1idp n GLY 125 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1idp s HIS 126 N -2.00 0.30 -0.17 1.61 3.76 0.48 -0.97 115.29 118.31 1idp s HIS 126 Ca 0.00 0.01 -0.09 0.00 -0.15 0.00 0.00 55.06 54.83 1idp s HIS 126 Cb 0.00 -0.42 -0.05 0.00 1.11 0.00 0.00 32.58 33.23 1idp s HIS 126 CO 0.00 -0.14 0.13 0.00 -0.85 0.00 0.00 174.74 173.88 1idp s ALA 127 N 1.10 3.75 -0.19 -1.40 0.00 -0.79 -1.63 121.76 122.59 1idp s ALA 127 Ca -0.09 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 1idp s ALA 127 Cb -0.13 -2.08 -0.00 0.00 0.00 0.00 0.00 23.12 20.90 1idp s ALA 127 CO -0.02 0.34 -0.09 -1.01 0.00 0.00 0.00 175.76 174.98 1idp s HIS 128 N -0.19 2.89 0.03 0.00 3.76 -0.93 -0.58 115.29 120.27 1idp s HIS 128 Ca 0.11 -1.01 0.01 0.00 -0.15 0.00 0.00 55.06 54.01 1idp s HIS 128 Cb -0.11 -2.01 -0.02 0.00 1.11 0.00 0.00 32.58 31.54 1idp s HIS 128 CO 0.00 -0.53 -0.05 0.45 -0.85 0.00 0.00 174.74 173.76 1idp s SER 129 N 1.19 0.55 -0.45 1.40 0.15 -0.42 0.48 113.70 116.61 1idp s SER 129 Ca 0.02 -0.49 -0.14 0.00 0.70 0.00 0.00 55.95 56.04 1idp s SER 129 Cb -0.14 0.06 0.06 0.00 -1.71 0.00 0.00 66.02 64.29 1idp s SER 129 CO -0.03 -0.23 0.35 0.00 1.20 0.00 0.00 173.24 174.53 1idp s ALA 130 N -1.31 3.50 -0.32 5.45 0.00 -0.21 -1.50 121.76 127.37 1idp s ALA 130 Ca -0.12 -2.02 -0.19 0.00 0.00 0.00 0.00 51.96 49.63 1idp s ALA 130 Cb -0.09 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 1idp s ALA 130 CO -0.00 -1.65 0.56 -0.80 0.00 0.00 0.00 175.76 173.87 1idp s ASN 131 N 2.32 6.41 -0.26 0.00 0.02 0.10 -0.67 114.94 122.86 1idp s ASN 131 Ca 0.04 0.26 -0.20 0.00 -1.02 0.00 0.00 52.86 51.93 1idp s ASN 131 Cb -0.23 -2.30 -0.02 0.00 0.02 0.00 0.00 41.25 38.73 1idp s ASN 131 CO 0.07 -0.45 0.63 -0.22 0.02 0.00 0.00 177.10 177.15 1idp s LEU 132 N 2.48 4.07 -0.04 0.60 1.98 -0.90 -0.89 118.68 125.99 1idp s LEU 132 Ca 0.22 0.69 0.02 0.00 -2.89 0.00 0.00 54.13 52.17 1idp s LEU 132 Cb -0.15 -2.86 -0.03 0.00 0.66 0.00 0.00 46.19 43.81 1idp s LEU 132 CO 0.12 -0.38 -0.08 -1.00 -1.89 0.00 0.00 176.35 173.12 1idp s HIS 133 N 2.52 2.89 -0.16 5.38 3.76 0.30 -0.28 115.29 129.70 1idp s HIS 133 Ca 0.26 -0.02 -0.09 0.00 -0.15 0.00 0.00 55.06 55.06 1idp s HIS 133 Cb -0.15 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 31.83 1idp s HIS 133 CO 0.09 0.33 0.15 -1.58 -0.85 0.00 0.00 174.74 172.88 1idp s TRP 134 N -0.88 3.50 -0.02 1.40 0.51 -0.42 -1.01 118.94 122.02 1idp s TRP 134 Ca 0.14 0.45 0.05 0.00 -2.12 0.00 0.00 56.10 54.63 1idp s TRP 134 Cb -0.11 -2.08 -0.01 0.00 -0.81 0.00 0.00 33.47 30.46 1idp s TRP 134 CO 0.04 0.49 -0.18 0.71 -0.51 0.00 0.00 176.95 177.50 1idp s TYR 135 N -0.27 1.64 -0.05 -1.98 1.51 0.28 -0.15 117.35 118.32 1idp s TYR 135 Ca 0.12 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.85 1idp s TYR 135 Cb -0.12 -1.07 0.00 0.00 -0.11 0.00 0.00 41.96 40.66 1idp s TYR 135 CO 0.01 -0.07 -0.17 0.15 -1.11 0.00 0.00 175.55 174.36 1idp s LYS 136 N -0.27 1.90 -0.41 -0.62 -0.14 -0.67 -1.34 119.74 118.18 1idp s LYS 136 Ca 0.03 -0.59 -0.25 0.00 -1.36 0.00 0.00 55.97 53.80 1idp s LYS 136 Cb -0.08 -1.60 0.02 0.00 -1.68 0.00 0.00 37.83 34.49 1idp s LYS 136 CO 0.00 0.18 0.91 0.21 -0.76 0.00 0.00 175.35 175.90 1idp s LYS 137 N 0.22 3.68 -0.19 1.68 2.20 0.43 -0.95 119.74 126.83 1idp s LYS 137 Ca -0.08 0.35 -0.00 0.00 -0.36 0.00 0.00 55.97 55.88 1idp s LYS 137 Cb -0.13 -3.86 0.01 0.00 -1.51 0.00 0.00 37.83 32.33 1idp s LYS 137 CO 0.03 -1.08 -0.15 0.42 -0.36 0.00 0.00 175.35 174.22 1idp s ILE 138 N 3.59 2.48 -1.43 5.43 1.01 0.29 -4.69 121.20 127.88 1idp s ILE 138 Ca 0.37 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 1idp s ILE 138 Cb -0.11 -2.07 0.04 0.00 0.01 0.00 0.00 42.46 40.32 1idp s ILE 138 CO 0.22 0.50 0.70 0.47 0.00 0.00 0.00 174.94 176.83 1idp n ASP 139 N 4.65 -2.01 0.00 3.58 10.43 -1.26 -1.44 116.55 130.49 1idp n ASP 139 Ca -0.20 -0.88 0.00 0.00 2.57 0.00 0.00 54.79 56.28 1idp n ASP 139 Cb 0.50 -3.60 0.00 0.00 1.84 0.00 0.00 41.12 39.87 1idp n ASP 139 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1idp n GLY 140 N -1.71 0.42 3.15 0.44 0.00 -1.26 -4.99 105.19 101.24 1idp n GLY 140 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1idp n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1idp s VAL 141 N -2.00 1.69 0.00 1.61 1.01 -0.52 -5.10 120.40 117.09 1idp s VAL 141 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1idp s VAL 141 Cb 0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 1idp s VAL 141 CO 0.00 0.48 1.30 0.26 0.00 0.00 0.00 175.10 177.13 1idp s TRP 142 N 0.41 3.10 0.10 5.22 0.52 -1.26 -0.55 118.94 126.49 1idp s TRP 142 Ca -0.16 1.05 0.10 0.00 0.02 0.00 0.00 56.10 57.11 1idp s TRP 142 Cb -0.17 -3.54 -0.04 0.00 -1.15 0.00 0.00 33.47 28.58 1idp s TRP 142 CO 0.06 -1.85 -0.26 0.15 0.02 0.00 0.00 176.95 175.08 1idp s LYS 143 N 1.99 1.57 -0.13 4.98 -0.14 -0.12 -4.76 119.74 123.13 1idp s LYS 143 Ca 0.60 -1.25 -0.29 0.00 -1.36 0.00 0.00 55.97 53.67 1idp s LYS 143 Cb -0.29 -1.95 -0.03 0.00 -1.68 0.00 0.00 37.83 33.88 1idp s LYS 143 CO 0.26 0.47 1.43 0.12 -0.76 0.00 0.00 175.35 176.88 1idp s PHE 144 N -0.98 2.46 -0.21 3.18 2.19 0.87 -1.67 117.98 123.82 1idp s PHE 144 Ca 0.14 0.66 0.02 0.00 0.33 0.00 0.00 56.93 58.08 1idp s PHE 144 Cb -0.10 -3.70 0.06 0.00 -1.31 0.00 0.00 43.02 37.97 1idp s PHE 144 CO 0.05 -2.60 1.02 0.00 1.83 0.00 0.00 175.22 175.52 1idp n ALA 145 N 6.95 2.07 0.00 11.12 0.00 0.78 -0.78 120.51 140.66 1idp n ALA 145 Ca 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1idp n ALA 145 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1idp n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1idp n GLY 146 N -0.25 1.00 3.42 0.00 0.00 -1.16 -1.33 105.19 106.86 1idp n GLY 146 Ca 0.02 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 1idp n GLY 146 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1idp s LEU 147 N 0.00 -0.21 -0.40 0.99 2.34 -0.18 -1.30 118.68 119.92 1idp s LEU 147 Ca 0.00 0.26 0.01 0.00 0.06 0.00 0.00 54.13 54.46 1idp s LEU 147 Cb 0.00 2.23 0.14 0.00 -0.56 0.00 0.00 46.19 48.00 1idp s LEU 147 CO 0.00 -0.71 0.23 -0.75 -1.06 0.00 0.00 176.35 174.06 1idp s LYS 148 N -2.29 0.97 0.27 1.48 2.20 0.61 -1.37 119.74 121.60 1idp s LYS 148 Ca -0.06 -1.73 -0.29 0.00 -0.36 0.00 0.00 55.97 53.52 1idp s LYS 148 Cb -0.01 -1.87 -0.09 0.00 -1.51 0.00 0.00 37.83 34.35 1idp s LYS 148 CO -0.00 -1.19 1.04 -2.14 -0.36 0.00 0.00 175.35 172.69 1idp s PRO 149 N 0.63 4.70 -0.59 4.03 0.02 -1.25 -2.11 135.00 140.43 1idp s PRO 149 Ca 0.18 1.68 -0.05 0.00 0.02 0.00 0.00 61.00 62.83 1idp s PRO 149 Cb -0.22 -3.19 0.15 0.00 0.02 0.00 0.00 34.50 31.26 1idp s PRO 149 CO -0.00 0.31 0.42 0.34 -0.33 0.00 0.00 177.00 177.73 1idp s ASP 150 N -1.02 5.45 -0.33 2.53 2.15 0.16 -4.85 116.67 120.75 1idp s ASP 150 Ca 0.44 -2.57 -0.29 0.00 0.43 0.00 0.00 52.55 50.55 1idp s ASP 150 Cb -0.29 -1.90 0.02 0.00 -0.30 0.00 0.00 42.92 40.44 1idp s ASP 150 CO 0.37 -0.46 1.11 -0.63 -0.17 0.00 0.00 175.17 175.39 1idp s ILE 151 N 0.35 4.44 -0.08 4.11 -1.09 -1.26 -1.05 121.20 126.63 1idp s ILE 151 Ca 0.14 1.64 -0.02 0.00 -2.23 0.00 0.00 60.65 60.18 1idp s ILE 151 Cb -0.20 -4.41 -0.01 0.00 -1.58 0.00 0.00 42.46 36.26 1idp s ILE 151 CO -0.04 -0.54 -0.04 0.03 -1.23 0.00 0.00 174.94 173.13 1idp h ARG 152 N 8.33 0.00 -3.09 2.79 -0.00 -0.34 -3.49 114.38 118.58 1idp h ARG 152 Ca -0.21 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.25 1idp h ARG 152 Cb 1.06 0.00 -0.12 0.00 0.00 0.00 0.00 29.97 30.92 1idp h ARG 152 CO 1.04 0.00 0.15 1.67 0.00 0.00 0.00 179.97 182.83 1idp s TRP 153 N -1.51 -0.43 0.08 3.04 1.48 -1.24 -5.04 118.94 115.32 1idp s TRP 153 Ca -0.03 0.18 0.02 0.00 -1.06 0.00 0.00 56.10 55.20 1idp s TRP 153 Cb 0.00 0.50 -0.04 0.00 -1.16 0.00 0.00 33.47 32.78 1idp s TRP 153 CO 0.05 -0.85 -0.07 0.20 -4.06 0.00 0.00 176.95 172.22 1idp s GLY 154 N -2.78 0.68 0.00 3.67 0.00 -1.26 -2.19 107.32 105.44 1idp s GLY 154 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1idp s GLY 154 CO -0.11 -1.26 0.36 -1.84 0.00 0.00 0.00 173.10 170.26