#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sou n LEU 2 N 0.00 -6.62 0.01 4.03 4.32 -1.26 -4.48 117.00 113.00 1sou n LEU 2 Ca 0.00 1.74 -0.08 0.00 -0.02 0.00 0.00 56.01 57.65 1sou n LEU 2 Cb 0.00 -3.12 0.09 0.00 -1.62 0.00 0.00 43.42 38.76 1sou n LEU 2 CO 0.00 -3.35 0.54 0.11 -1.22 0.00 0.00 177.39 173.47 1sou h LYS 3 N 3.28 0.53 0.00 3.23 1.57 -2.01 0.17 116.57 123.34 1sou h LYS 3 Ca -0.27 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.08 1sou h LYS 3 Cb 0.62 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1sou h LYS 3 CO 0.05 0.89 -0.62 1.03 -0.57 0.00 0.00 179.45 180.23 1sou h SER 4 N 0.42 0.00 0.79 0.86 0.87 -1.95 -2.93 113.55 111.61 1sou h SER 4 Ca 0.02 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 1sou h SER 4 Cb 0.99 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 1sou h SER 4 CO 0.09 0.62 -1.31 -0.33 -0.53 0.00 0.00 176.83 175.38 1sou h GLU 5 N 0.00 0.00 -0.52 2.24 3.07 -1.85 -3.34 114.58 114.18 1sou h GLU 5 Ca -0.01 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1sou h GLU 5 Cb 1.11 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.99 1sou h GLU 5 CO 0.08 0.29 0.34 1.25 -1.40 0.00 0.00 179.01 179.56 1sou h LEU 6 N 0.00 0.57 -1.74 1.33 5.85 -0.48 -1.48 115.31 119.36 1sou h LEU 6 Ca -0.14 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1sou h LEU 6 Cb 1.53 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 1sou h LEU 6 CO 0.04 0.41 -0.13 0.08 -0.34 0.00 0.00 178.44 178.50 1sou h ARG 7 N 0.68 0.00 -0.12 1.25 0.11 -1.66 -2.29 114.38 112.36 1sou h ARG 7 Ca 0.19 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.12 1sou h ARG 7 Cb -0.06 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.03 1sou h ARG 7 CO -0.05 0.13 -0.51 0.87 0.10 0.00 0.00 179.97 180.51 1sou h LYS 8 N 0.00 0.56 0.00 0.08 1.57 -1.42 0.32 116.57 117.68 1sou h LYS 8 Ca -0.00 -0.44 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 1sou h LYS 8 Cb 0.43 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1sou h LYS 8 CO 0.02 1.06 -0.17 0.87 -0.57 0.00 0.00 179.45 180.66 1sou h LYS 9 N 0.18 0.00 0.12 3.15 1.57 -1.03 0.12 116.57 120.67 1sou h LYS 9 Ca -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1sou h LYS 9 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1sou h LYS 9 CO 0.11 0.17 -0.06 0.28 -0.57 0.00 0.00 179.45 179.38 1sou h VAL 10 N 0.00 0.77 -0.35 0.50 2.07 -1.25 -3.27 116.25 114.72 1sou h VAL 10 Ca -0.00 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1sou h VAL 10 Cb 0.31 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1sou h VAL 10 CO 0.02 0.23 0.18 0.25 0.02 0.00 0.00 177.57 178.27 1sou h LEU 11 N -0.94 0.45 -1.94 2.57 6.46 -0.15 -2.51 115.31 119.25 1sou h LEU 11 Ca -0.02 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1sou h LEU 11 Cb 0.49 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1sou h LEU 11 CO 0.03 0.42 -0.04 -0.74 -0.62 0.00 0.00 178.44 177.49 1sou h HIS 12 N 0.44 0.00 0.01 1.25 2.76 -0.95 -2.30 115.15 116.36 1sou h HIS 12 Ca 0.12 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.20 1sou h HIS 12 Cb 0.08 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.05 1sou h HIS 12 CO -0.02 0.04 -0.37 -0.22 -1.30 0.00 0.00 177.93 176.06 1sou h LYS 13 N 0.00 0.23 0.00 5.26 3.64 -1.50 -3.33 116.57 120.87 1sou h LYS 13 Ca -0.00 -0.26 -0.13 0.00 -1.27 0.00 0.00 60.65 58.98 1sou h LYS 13 Cb 0.36 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1sou h LYS 13 CO 0.01 1.00 -0.64 0.00 -2.27 0.00 0.00 179.45 177.55 1sou h ARG 14 N -0.44 0.00 -0.01 1.90 3.08 -1.20 -2.19 114.38 115.52 1sou h ARG 14 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1sou h ARG 14 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1sou h ARG 14 CO 0.07 0.64 0.00 0.44 -1.07 0.00 0.00 179.97 180.05 1sou n ILE 15 N -3.73 0.01 0.00 2.04 -5.35 -0.91 -4.54 119.36 106.88 1sou n ILE 15 Ca -0.01 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1sou n ILE 15 Cb 0.64 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 1sou n ILE 15 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1sou n ASN 16 N -0.76 0.00 -1.39 7.28 2.85 -0.85 -5.09 115.26 117.31 1sou n ASN 16 Ca 0.17 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.82 1sou n ASN 16 Cb 0.10 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.06 1sou n ASN 16 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1sou n LEU 17 N 0.00 -0.78 -4.68 1.20 4.77 -1.04 -4.54 117.00 111.94 1sou n LEU 17 Ca 0.00 1.76 -0.43 0.00 -0.03 0.00 0.00 56.01 57.31 1sou n LEU 17 Cb 0.00 -4.40 -0.02 0.00 -2.33 0.00 0.00 43.42 36.67 1sou n LEU 17 CO 0.00 -3.09 0.97 -0.44 -1.33 0.00 0.00 177.39 173.49 1sou s SER 18 N -6.89 7.05 0.24 -1.43 0.01 -1.26 -4.92 113.70 106.50 1sou s SER 18 Ca 0.00 1.71 0.11 0.00 1.31 0.00 0.00 55.95 59.08 1sou s SER 18 Cb 0.00 -2.55 0.22 0.00 0.21 0.00 0.00 66.02 63.90 1sou s SER 18 CO 0.00 -0.62 1.52 -0.33 0.41 0.00 0.00 173.24 174.22 1sou h GLU 19 N 7.62 0.00 -0.39 12.44 5.08 -2.00 0.16 114.58 137.49 1sou h GLU 19 Ca -0.30 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1sou h GLU 19 Cb 1.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1sou h GLU 19 CO 0.91 0.69 0.14 0.93 -1.00 0.00 0.00 179.01 180.68 1sou h GLU 20 N 0.00 0.59 -0.08 2.33 3.07 -1.98 -2.61 114.58 115.90 1sou h GLU 20 Ca -0.01 -0.11 0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1sou h GLU 20 Cb 1.28 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.08 1sou h GLU 20 CO 0.09 0.57 -0.03 1.49 -1.40 0.00 0.00 179.01 179.73 1sou h GLU 21 N 0.48 -0.02 -0.71 2.33 4.57 -1.83 -2.89 114.58 116.52 1sou h GLU 21 Ca 0.13 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.43 1sou h GLU 21 Cb 0.21 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.72 1sou h GLU 21 CO -0.01 -0.01 0.29 0.00 -1.18 0.00 0.00 179.01 178.10 1sou h ARG 22 N -0.02 0.44 -0.15 1.92 3.08 -0.84 -1.12 114.38 117.70 1sou h ARG 22 Ca 0.04 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1sou h ARG 22 Cb 0.08 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1sou h ARG 22 CO -0.09 0.29 -0.05 0.00 -1.07 0.00 0.00 179.97 179.05 1sou h ARG 23 N 0.46 0.29 0.00 0.04 3.08 -1.27 0.14 114.38 117.12 1sou h ARG 23 Ca 0.38 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1sou h ARG 23 Cb 0.52 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1sou h ARG 23 CO -0.36 0.59 0.00 0.07 -1.07 0.00 0.00 179.97 179.21 1sou h ARG 24 N -0.03 0.00 0.12 0.04 0.11 -1.35 -1.49 114.38 111.79 1sou h ARG 24 Ca 0.03 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.83 1sou h ARG 24 Cb 0.50 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.61 1sou h ARG 24 CO 0.02 0.00 -1.19 -0.07 0.10 0.00 0.00 179.97 178.83 1sou h LEU 25 N 0.00 0.83 -1.41 0.08 3.38 -0.99 -3.22 115.31 113.99 1sou h LEU 25 Ca 0.00 -0.84 -0.01 0.00 0.09 0.00 0.00 57.88 57.13 1sou h LEU 25 Cb 0.67 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1sou h LEU 25 CO 0.00 1.58 0.27 0.28 0.09 0.00 0.00 178.44 180.67 1sou h SER 26 N 0.19 0.60 -0.91 -0.43 0.02 -0.32 -0.58 113.55 112.13 1sou h SER 26 Ca -0.18 -0.04 0.05 0.00 -0.84 0.00 0.00 61.79 60.78 1sou h SER 26 Cb 1.88 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 64.21 1sou h SER 26 CO 0.23 0.48 0.58 -0.08 -1.14 0.00 0.00 176.83 176.89 1sou h GLU 27 N 0.68 1.04 -0.29 3.45 4.22 -1.34 0.15 114.58 122.49 1sou h GLU 27 Ca 0.18 -0.06 -0.12 0.00 0.08 0.00 0.00 59.36 59.44 1sou h GLU 27 Cb 0.01 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1sou h GLU 27 CO -0.03 0.69 -0.27 0.87 -2.18 0.00 0.00 179.01 178.09 1sou h LYS 28 N 1.07 0.70 -0.35 1.92 1.79 -1.18 -2.17 116.57 118.35 1sou h LYS 28 Ca 0.38 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1sou h LYS 28 Cb 0.12 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1sou h LYS 28 CO -0.16 0.98 0.17 0.28 -1.08 0.00 0.00 179.45 179.64 1sou h VAL 29 N 0.45 1.16 -0.56 0.50 2.07 -0.65 -1.23 116.25 117.99 1sou h VAL 29 Ca 0.05 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1sou h VAL 29 Cb 0.84 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1sou h VAL 29 CO 0.07 0.17 0.37 0.40 0.02 0.00 0.00 177.57 178.60 1sou h ILE 30 N 0.43 1.15 -0.84 4.57 2.04 -0.71 0.16 117.51 124.31 1sou h ILE 30 Ca 0.12 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1sou h ILE 30 Cb 0.12 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 1sou h ILE 30 CO -0.02 0.14 0.53 0.28 0.00 0.00 0.00 178.15 179.09 1sou h SER 31 N 0.76 0.98 -0.08 1.72 0.02 -1.14 0.13 113.55 115.94 1sou h SER 31 Ca 0.20 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1sou h SER 31 Cb -0.08 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.21 1sou h SER 31 CO -0.04 0.73 -0.15 -1.13 -1.14 0.00 0.00 176.83 175.10 1sou h ASN 32 N 1.15 0.27 -0.74 3.07 -1.24 -0.58 -0.64 115.58 116.87 1sou h ASN 32 Ca 0.31 -0.55 -0.03 0.00 0.71 0.00 0.00 56.30 56.73 1sou h ASN 32 Cb -0.09 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 38.84 1sou h ASN 32 CO -0.06 0.77 0.33 0.25 -1.29 0.00 0.00 177.43 177.43 1sou h LEU 33 N -0.22 1.00 0.00 0.34 5.85 -0.44 -1.48 115.31 120.37 1sou h LEU 33 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1sou h LEU 33 Cb 0.72 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1sou h LEU 33 CO 0.03 0.87 -0.02 0.50 -0.34 0.00 0.00 178.44 179.48 1sou h LYS 34 N 1.08 0.00 0.00 1.25 3.64 -0.76 -2.89 116.57 118.89 1sou h LYS 34 Ca 0.26 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 1sou h LYS 34 Cb 0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1sou h LYS 34 CO -0.03 0.00 -0.46 1.03 -2.27 0.00 0.00 179.45 177.72 1sou h SER 35 N 0.00 0.00 -2.38 4.20 0.87 -0.09 -3.45 113.55 112.70 1sou h SER 35 Ca 0.00 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.98 1sou h SER 35 Cb 0.84 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.86 1sou h SER 35 CO 0.00 0.46 0.79 0.18 -0.53 0.00 0.00 176.83 177.73 1sou n LEU 36 N -3.38 3.18 0.30 2.23 4.77 -0.82 -4.87 117.00 118.41 1sou n LEU 36 Ca 0.01 1.09 0.18 0.00 -0.03 0.00 0.00 56.01 57.26 1sou n LEU 36 Cb 0.63 -1.44 0.90 0.00 -2.33 0.00 0.00 43.42 41.18 1sou n LEU 36 CO 0.39 -0.28 1.06 -0.65 -1.33 0.00 0.00 177.39 176.58 1sou h PRO 37 N 5.71 0.00 0.00 3.23 0.11 -1.88 -2.10 132.00 137.07 1sou h PRO 37 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1sou h PRO 37 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1sou h PRO 37 CO 0.87 0.03 -0.22 0.93 -0.21 0.00 0.00 178.00 179.40 1sou h GLU 38 N 0.00 0.00 0.00 1.05 3.07 -1.91 0.13 114.58 116.92 1sou h GLU 38 Ca -0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1sou h GLU 38 Cb 0.27 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1sou h GLU 38 CO 0.00 0.22 -0.38 0.35 -1.40 0.00 0.00 179.01 177.81 1sou h PHE 39 N 0.00 0.00 0.00 4.33 3.57 -1.63 -0.91 116.94 122.30 1sou h PHE 39 Ca -0.00 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.24 1sou h PHE 39 Cb 0.64 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1sou h PHE 39 CO 0.00 0.38 -1.52 -0.22 -2.23 0.00 0.00 178.31 174.72 1sou h LYS 40 N 0.00 0.00 -0.68 1.11 3.64 -1.42 -3.34 116.57 115.88 1sou h LYS 40 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1sou h LYS 40 Cb 0.70 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1sou h LYS 40 CO 0.05 0.55 0.20 0.87 -2.27 0.00 0.00 179.45 178.85 1sou h LYS 41 N 0.00 1.05 -6.02 1.90 1.57 -0.40 -3.44 116.57 111.23 1sou h LYS 41 Ca -0.22 -0.22 -0.58 0.00 -1.87 0.00 0.00 60.65 57.76 1sou h LYS 41 Cb 1.90 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 34.00 1sou h LYS 41 CO 0.08 0.90 -0.10 0.45 -0.57 0.00 0.00 179.45 180.22 1sou s SER 42 N -6.47 6.89 0.11 0.86 0.15 -0.38 -4.94 113.70 109.93 1sou s SER 42 Ca -0.11 1.06 0.23 0.00 0.70 0.00 0.00 55.95 57.82 1sou s SER 42 Cb 0.15 -2.32 0.02 0.00 -1.71 0.00 0.00 66.02 62.17 1sou s SER 42 CO 0.83 0.18 1.01 1.17 1.20 0.00 0.00 173.24 177.63 1sou n LYS 43 N 2.45 0.47 -3.97 5.44 3.00 -1.26 -4.79 118.16 119.49 1sou n LYS 43 Ca -0.10 0.04 -0.31 0.00 -0.00 0.00 0.00 58.31 57.95 1sou n LYS 43 Cb 0.51 -1.70 -0.15 0.00 0.00 0.00 0.00 35.03 33.70 1sou n LYS 43 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1sou s LYS 44 N -3.30 1.54 -0.43 1.64 1.02 -1.26 -2.20 119.74 116.74 1sou s LYS 44 Ca 0.01 -2.00 -0.13 0.00 0.02 0.00 0.00 55.97 53.86 1sou s LYS 44 Cb 0.12 -3.12 0.05 0.00 -0.52 0.00 0.00 37.83 34.36 1sou s LYS 44 CO 0.80 -0.99 0.31 0.08 -0.92 0.00 0.00 175.35 174.62 1sou s VAL 45 N 0.65 4.94 -0.18 3.17 1.01 0.45 -2.05 120.40 128.38 1sou s VAL 45 Ca 0.13 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1sou s VAL 45 Cb -0.21 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1sou s VAL 45 CO -0.07 -0.42 0.20 0.00 0.00 0.00 0.00 175.10 174.81 1sou s ALA 46 N 1.60 3.65 -0.13 5.51 0.00 0.51 -0.42 121.76 132.49 1sou s ALA 46 Ca 0.04 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 1sou s ALA 46 Cb -0.22 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 1sou s ALA 46 CO 0.07 0.14 -0.13 -0.51 0.00 0.00 0.00 175.76 175.33 1sou s LEU 47 N 0.38 2.74 0.00 0.00 1.43 -0.36 -0.77 118.68 122.09 1sou s LEU 47 Ca 0.12 -0.32 0.17 0.00 -1.03 0.00 0.00 54.13 53.07 1sou s LEU 47 Cb -0.12 -1.62 1.00 0.00 0.03 0.00 0.00 46.19 45.49 1sou s LEU 47 CO 0.01 0.17 1.61 0.00 0.23 0.00 0.00 176.35 178.36 1sou n TYR 48 N 3.50 0.00 -1.01 0.29 9.36 -0.90 -4.23 117.16 124.17 1sou n TYR 48 Ca -0.18 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.04 1sou n TYR 48 Cb 0.53 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.24 1sou n TYR 48 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sou n PRO 50 N 0.36 1.37 0.12 0.00 -0.02 -1.26 -4.47 135.00 131.09 1sou n PRO 50 Ca 0.00 -0.47 0.05 0.00 -2.02 0.00 0.00 63.50 61.05 1sou n PRO 50 Cb 0.00 -1.53 0.49 0.00 -0.02 0.00 0.00 33.50 32.44 1sou n PRO 50 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1sou h ILE 51 N 1.64 1.09 -0.18 4.25 -0.00 -1.97 -2.81 117.51 119.54 1sou h ILE 51 Ca 0.09 -0.30 -0.20 0.00 -0.00 0.00 0.00 64.86 64.45 1sou h ILE 51 Cb 1.14 0.88 -0.35 0.00 -0.00 0.00 0.00 36.82 38.49 1sou h ILE 51 CO 0.14 0.11 -0.99 0.29 -0.00 0.00 0.00 178.15 177.70 1sou n LYS 52 N -4.44 0.94 -3.65 0.16 4.76 -1.26 -5.10 118.16 109.57 1sou n LYS 52 Ca -0.00 -2.75 -0.34 0.00 -2.87 0.00 0.00 58.31 52.36 1sou n LYS 52 Cb 0.13 -0.82 -0.05 0.00 -1.84 0.00 0.00 35.03 32.45 1sou n LYS 52 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1sou s GLY 53 N -2.79 2.28 0.20 0.72 0.00 -1.06 -4.85 107.32 101.82 1sou s GLY 53 Ca 0.34 -0.49 0.25 0.00 0.00 0.00 0.00 44.72 44.81 1sou s GLY 53 CO -0.11 -0.33 1.55 1.05 0.00 0.00 0.00 173.10 175.27 1sou h GLU 54 N 3.46 0.00 -5.45 2.90 4.11 -1.90 -3.45 114.58 114.25 1sou h GLU 54 Ca -0.48 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.31 1sou h GLU 54 Cb 1.18 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.25 1sou h GLU 54 CO 0.69 0.00 -0.62 0.08 0.07 0.00 0.00 179.01 179.22 1sou s VAL 55 N -3.15 4.27 -1.11 -1.06 1.01 -1.26 -4.94 120.40 114.17 1sou s VAL 55 Ca 0.08 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 1sou s VAL 55 Cb 0.12 -2.87 0.05 0.00 0.00 0.00 0.00 36.38 33.68 1sou s VAL 55 CO 0.66 0.51 1.55 -1.81 0.00 0.00 0.00 175.10 176.01 1sou s ASP 56 N 0.08 6.59 0.00 3.32 1.01 -1.26 -4.71 116.67 121.69 1sou s ASP 56 Ca 0.02 -1.76 0.28 0.00 0.71 0.00 0.00 52.55 51.80 1sou s ASP 56 Cb -0.13 -2.57 1.08 0.00 1.01 0.00 0.00 42.92 42.31 1sou s ASP 56 CO 0.02 -1.42 1.76 0.18 0.21 0.00 0.00 175.17 175.92 1sou n LEU 57 N 8.80 1.23 -0.08 1.23 4.77 -1.26 -4.30 117.00 127.40 1sou n LEU 57 Ca 0.38 -0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1sou n LEU 57 Cb 0.49 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1sou n LEU 57 CO 0.69 0.21 0.95 0.71 -1.33 0.00 0.00 177.39 178.63 1sou h THR 58 N 1.85 1.11 0.00 -5.08 1.35 -1.99 -2.48 112.91 107.67 1sou h THR 58 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1sou h THR 58 Cb 0.45 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1sou h THR 58 CO 0.00 0.10 0.00 -0.81 -0.25 0.00 0.00 175.52 174.56 1sou n PRO 59 N -4.85 0.23 0.11 4.72 -0.04 -1.26 -2.25 135.00 131.65 1sou n PRO 59 Ca -0.02 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.68 1sou n PRO 59 Cb 0.06 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.03 1sou n PRO 59 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1sou h LEU 60 N 0.00 0.00 -0.40 1.53 5.85 -1.72 -3.38 115.31 117.18 1sou h LEU 60 Ca 0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1sou h LEU 60 Cb 0.13 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.07 1sou h LEU 60 CO 0.00 0.06 -0.22 -0.26 -0.34 0.00 0.00 178.44 177.68 1sou h PHE 61 N 0.00 -0.57 -0.99 1.25 0.04 -1.48 -0.85 116.94 114.34 1sou h PHE 61 Ca -0.01 0.05 0.21 0.00 2.80 0.00 0.00 57.97 61.01 1sou h PHE 61 Cb 1.06 0.31 -0.11 0.00 2.20 0.00 0.00 35.95 39.41 1sou h PHE 61 CO 0.00 -0.30 0.58 -1.35 -0.60 0.00 0.00 178.31 176.64 1sou h PRO 62 N -0.15 0.66 0.11 1.51 0.11 -1.80 -0.20 132.00 132.24 1sou h PRO 62 Ca 0.19 -0.04 -0.28 0.00 0.11 0.00 0.00 66.00 65.99 1sou h PRO 62 Cb 0.45 -0.15 0.02 0.00 0.11 0.00 0.00 31.00 31.43 1sou h PRO 62 CO -0.49 0.44 -1.20 1.49 -0.21 0.00 0.00 178.00 178.02 1sou h GLU 63 N 0.68 0.46 -0.52 1.05 4.81 -1.55 -2.59 114.58 116.92 1sou h GLU 63 Ca 0.59 -0.64 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1sou h GLU 63 Cb 0.99 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1sou h GLU 63 CO -0.42 1.28 0.34 0.28 -0.73 0.00 0.00 179.01 179.75 1sou h VAL 64 N 0.19 1.14 0.00 0.32 2.07 -0.33 -0.88 116.25 118.76 1sou h VAL 64 Ca -0.16 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1sou h VAL 64 Cb 1.89 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1sou h VAL 64 CO 0.22 0.13 -0.15 -0.07 0.02 0.00 0.00 177.57 177.72 1sou h LEU 65 N 0.70 0.00 -0.30 2.57 3.38 -1.10 0.14 115.31 120.71 1sou h LEU 65 Ca 0.19 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 1sou h LEU 65 Cb -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1sou h LEU 65 CO -0.04 0.15 -0.80 0.50 0.09 0.00 0.00 178.44 178.35 1sou h LYS 66 N 0.00 0.47 0.00 1.13 3.64 -0.85 -3.41 116.57 117.54 1sou h LYS 66 Ca -0.00 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1sou h LYS 66 Cb 0.34 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1sou h LYS 66 CO 0.02 1.05 -0.21 0.39 -2.27 0.00 0.00 179.45 178.43 1sou n GLU 67 N -3.83 0.13 -2.48 1.90 1.02 -0.44 -5.10 120.64 111.85 1sou n GLU 67 Ca -0.05 0.17 -0.05 0.00 -0.02 0.00 0.00 57.16 57.20 1sou n GLU 67 Cb 0.75 -0.85 -0.01 0.00 -0.02 0.00 0.00 31.44 31.30 1sou n GLU 67 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sou n LYS 68 N -2.97 1.35 -2.83 3.49 5.02 0.44 -5.09 118.16 117.57 1sou n LYS 68 Ca -0.03 -0.67 -0.42 0.00 -2.02 0.00 0.00 58.31 55.17 1sou n LYS 68 Cb 0.11 0.26 -0.04 0.00 -0.02 0.00 0.00 35.03 35.35 1sou n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sou s GLU 69 N -2.32 4.09 -0.46 1.97 0.41 -0.94 -4.30 118.70 117.15 1sou s GLU 69 Ca 0.02 0.89 -0.19 0.00 -0.41 0.00 0.00 54.97 55.28 1sou s GLU 69 Cb 0.00 -3.69 0.04 0.00 -1.78 0.00 0.00 34.13 28.70 1sou s GLU 69 CO 0.01 -0.66 0.57 -1.17 -0.49 0.00 0.00 175.26 173.53 1sou s LEU 70 N 3.08 4.82 -0.31 1.80 2.96 -0.30 -0.41 118.68 130.32 1sou s LEU 70 Ca 0.37 -0.70 -0.21 0.00 -0.22 0.00 0.00 54.13 53.37 1sou s LEU 70 Cb -0.14 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.04 1sou s LEU 70 CO 0.10 -0.77 0.69 -0.63 -1.32 0.00 0.00 176.35 174.42 1sou s ILE 71 N 2.53 4.88 0.13 6.68 1.01 0.44 -0.41 121.20 136.46 1sou s ILE 71 Ca 0.16 0.94 0.09 0.00 0.00 0.00 0.00 60.65 61.84 1sou s ILE 71 Cb -0.17 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1sou s ILE 71 CO 0.14 -0.21 -0.14 -0.76 0.00 0.00 0.00 174.94 173.97 1sou s LEU 72 N 2.76 2.83 -0.06 2.97 1.43 -0.79 -1.23 118.68 126.59 1sou s LEU 72 Ca 0.28 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 1sou s LEU 72 Cb -0.15 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1sou s LEU 72 CO 0.13 0.16 0.97 -2.84 0.23 0.00 0.00 176.35 174.99 1sou s PRO 73 N -2.36 4.47 -0.26 1.29 0.02 -1.26 -1.71 135.00 135.20 1sou s PRO 73 Ca 0.21 1.36 -0.08 0.00 0.02 0.00 0.00 61.00 62.51 1sou s PRO 73 Cb -0.10 -3.51 -0.03 0.00 0.02 0.00 0.00 34.50 30.89 1sou s PRO 73 CO 0.12 -0.19 0.08 0.21 -0.33 0.00 0.00 177.00 176.89 1sou s LYS 74 N 1.55 3.63 -0.60 5.54 2.47 0.47 -4.34 119.74 128.46 1sou s LYS 74 Ca 0.49 -0.50 -0.24 0.00 -1.56 0.00 0.00 55.97 54.15 1sou s LYS 74 Cb -0.19 -3.36 0.05 0.00 -1.46 0.00 0.00 37.83 32.86 1sou s LYS 74 CO 0.22 -0.21 1.00 0.08 0.16 0.00 0.00 175.35 176.60 1sou s VAL 75 N 1.62 4.28 -0.99 4.02 1.01 -1.26 -0.87 120.40 128.20 1sou s VAL 75 Ca 0.06 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 1sou s VAL 75 Cb -0.15 -4.63 0.26 0.00 0.00 0.00 0.00 36.38 31.86 1sou s VAL 75 CO 0.04 -1.29 1.00 -0.62 0.00 0.00 0.00 175.10 174.23 1sou n GLU 76 N 7.79 3.22 0.00 2.72 -0.58 0.47 -4.92 120.64 129.35 1sou n GLU 76 Ca 0.01 -4.50 0.00 0.00 -0.42 0.00 0.00 57.16 52.25 1sou n GLU 76 Cb 0.47 -2.47 0.00 0.00 -0.57 0.00 0.00 31.44 28.88 1sou n GLU 76 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sou n GLY 77 N 2.21 1.92 0.00 0.62 0.00 -1.26 -2.72 105.19 105.96 1sou n GLY 77 Ca 0.24 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1sou n GLY 77 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sou n ASN 78 N 4.17 2.55 -4.45 1.61 6.94 -1.26 -5.06 115.26 119.76 1sou n ASN 78 Ca 0.00 -0.15 -0.22 0.00 -0.02 0.00 0.00 54.58 54.19 1sou n ASN 78 Cb 0.00 0.81 -0.10 0.00 -2.36 0.00 0.00 39.78 38.13 1sou n ASN 78 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1sou s GLU 79 N -1.32 1.61 -0.13 -3.83 2.02 -1.10 -4.15 118.70 111.79 1sou s GLU 79 Ca 0.00 -1.86 0.02 0.00 0.02 0.00 0.00 54.97 53.15 1sou s GLU 79 Cb 0.00 -1.04 0.00 0.00 0.10 0.00 0.00 34.13 33.19 1sou s GLU 79 CO 0.00 -0.07 -0.20 0.42 0.02 0.00 0.00 175.26 175.43 1sou s ILE 80 N -3.13 2.32 -0.12 -1.63 1.01 -1.26 -0.39 121.20 118.00 1sou s ILE 80 Ca 0.33 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1sou s ILE 80 Cb 0.06 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 1sou s ILE 80 CO 0.14 0.54 0.27 -0.44 0.00 0.00 0.00 174.94 175.45 1sou s SER 81 N 0.65 6.49 -0.08 3.58 0.01 -0.05 -4.86 113.70 119.44 1sou s SER 81 Ca -0.10 0.58 -0.19 0.00 1.31 0.00 0.00 55.95 57.55 1sou s SER 81 Cb -0.16 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1sou s SER 81 CO 0.02 0.22 0.53 -0.76 0.41 0.00 0.00 173.24 173.67 1sou s LEU 82 N -0.21 4.33 0.09 2.44 1.43 -1.26 -0.39 118.68 125.11 1sou s LEU 82 Ca 0.17 0.96 0.10 0.00 -1.03 0.00 0.00 54.13 54.33 1sou s LEU 82 Cb -0.13 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 1sou s LEU 82 CO 0.06 0.03 -0.26 -0.31 0.23 0.00 0.00 176.35 176.09 1sou s TYR 83 N 0.35 2.25 -0.51 0.29 1.51 -0.69 -0.39 117.35 120.16 1sou s TYR 83 Ca 0.29 -0.39 -0.28 0.00 -1.01 0.00 0.00 57.07 55.68 1sou s TYR 83 Cb -0.16 -1.27 0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1sou s TYR 83 CO 0.13 0.25 1.09 0.50 -1.11 0.00 0.00 175.55 176.41 1sou s ARG 84 N -1.72 3.59 -0.25 -0.62 3.52 0.47 -1.88 118.95 122.06 1sou s ARG 84 Ca 0.12 0.32 -0.05 0.00 -0.13 0.00 0.00 55.73 55.99 1sou s ARG 84 Cb -0.10 -3.95 -0.00 0.00 -1.56 0.00 0.00 34.95 29.33 1sou s ARG 84 CO 0.04 -1.44 0.01 0.08 -0.81 0.00 0.00 175.30 173.18 1sou s VAL 85 N 4.41 3.68 0.00 7.11 1.01 0.45 -3.81 120.40 133.25 1sou s VAL 85 Ca 0.43 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1sou s VAL 85 Cb -0.08 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1sou s VAL 85 CO 0.28 0.29 0.00 1.57 0.00 0.00 0.00 175.10 177.24 1sou n HIS 86 N 4.83 0.00 -3.18 5.22 -0.00 -1.26 -1.15 115.22 119.68 1sou n HIS 86 Ca -0.17 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.16 1sou n HIS 86 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.43 1sou n HIS 86 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1sou s SER 87 N -2.45 6.71 0.17 0.26 0.01 -1.26 -4.76 113.70 112.38 1sou s SER 87 Ca 0.00 0.86 0.13 0.00 1.31 0.00 0.00 55.95 58.24 1sou s SER 87 Cb 0.00 -2.33 0.65 0.00 0.21 0.00 0.00 66.02 64.55 1sou s SER 87 CO 0.00 -0.16 1.38 -2.65 0.41 0.00 0.00 173.24 172.22 1sou n PRO 88 N 4.45 0.08 -0.03 12.44 -0.02 -1.26 -1.49 135.00 149.17 1sou n PRO 88 Ca -0.03 0.54 0.10 0.00 -2.02 0.00 0.00 63.50 62.09 1sou n PRO 88 Cb 0.51 -1.74 0.49 0.00 -0.02 0.00 0.00 33.50 32.74 1sou n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sou n ALA 89 N -1.65 2.58 1.54 3.55 0.00 -1.26 -3.44 120.51 121.83 1sou n ALA 89 Ca -0.00 -0.26 0.14 0.00 0.00 0.00 0.00 53.44 53.32 1sou n ALA 89 Cb 0.04 -1.23 0.57 0.00 0.00 0.00 0.00 19.45 18.83 1sou n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sou s LEU 91 N -2.05 4.12 0.15 0.00 1.43 -1.22 -0.76 118.68 120.35 1sou s LEU 91 Ca 0.38 0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.82 1sou s LEU 91 Cb 0.21 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1sou s LEU 91 CO 0.36 -0.80 -0.11 -0.83 0.23 0.00 0.00 176.35 175.19 1sou s GLY 92 N 1.93 1.11 -0.04 -3.19 0.00 -0.68 -4.94 107.32 101.51 1sou s GLY 92 Ca 0.32 -1.46 -0.30 0.00 0.00 0.00 0.00 44.72 43.29 1sou s GLY 92 CO 0.19 -1.55 1.00 0.14 0.00 0.00 0.00 173.10 172.88 1sou s VAL 93 N -3.00 4.79 0.00 1.40 1.01 -1.26 -0.46 120.40 122.89 1sou s VAL 93 Ca 0.15 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.16 1sou s VAL 93 Cb 0.00 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1sou s VAL 93 CO 0.02 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1sou n GLY 94 N 3.00 0.86 0.61 4.51 0.00 0.93 -4.92 105.19 110.19 1sou n GLY 94 Ca 0.07 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.01 1sou n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sou n ALA 95 N -3.00 2.40 -2.45 4.61 0.00 -1.26 -4.52 120.51 116.29 1sou n ALA 95 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 53.44 52.70 1sou n ALA 95 Cb 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 19.45 18.98 1sou n ALA 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sou n PHE 96 N 0.75 0.01 -2.45 0.00 3.72 -1.26 -4.98 117.46 113.25 1sou n PHE 96 Ca 0.10 -0.51 -0.13 0.00 -0.05 0.00 0.00 57.45 56.85 1sou n PHE 96 Cb 0.37 -0.08 0.01 0.00 -0.94 0.00 0.00 39.48 38.84 1sou n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sou n GLY 97 N 0.44 -0.11 3.66 1.37 0.00 -1.26 -5.02 105.19 104.27 1sou n GLY 97 Ca 0.03 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1sou n GLY 97 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sou s ILE 98 N -2.76 2.91 -0.27 -0.61 -4.36 -1.26 -4.92 121.20 109.93 1sou s ILE 98 Ca 0.08 -1.88 -0.09 0.00 -0.26 0.00 0.00 60.65 58.51 1sou s ILE 98 Cb -0.04 -2.85 -0.03 0.00 1.25 0.00 0.00 42.46 40.79 1sou s ILE 98 CO 0.10 -0.23 0.11 -0.04 0.24 0.00 0.00 174.94 175.12 1sou s MET 99 N -3.75 3.64 0.04 0.37 -1.94 -1.26 -0.05 119.30 116.36 1sou s MET 99 Ca 0.35 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.83 1sou s MET 99 Cb -0.02 -3.44 -0.03 0.00 2.01 0.00 0.00 34.83 33.34 1sou s MET 99 CO 0.20 -0.24 -0.04 -1.83 -0.01 0.00 0.00 175.02 173.10 1sou s GLU 100 N 1.64 0.52 -0.01 2.03 -1.05 0.39 -4.90 118.70 117.32 1sou s GLU 100 Ca 0.06 -0.95 -0.30 0.00 -0.15 0.00 0.00 54.97 53.63 1sou s GLU 100 Cb -0.16 0.05 -0.07 0.00 -0.44 0.00 0.00 34.13 33.51 1sou s GLU 100 CO 0.06 -0.05 1.75 -1.25 0.95 0.00 0.00 175.26 176.71 1sou s PRO 101 N -2.71 4.17 -0.16 -4.83 0.04 -1.25 -1.68 135.00 128.57 1sou s PRO 101 Ca -0.03 2.33 0.02 0.00 0.04 0.00 0.00 61.00 63.36 1sou s PRO 101 Cb -0.01 -4.01 -0.23 0.00 0.04 0.00 0.00 34.50 30.29 1sou s PRO 101 CO -0.05 -0.87 0.19 1.33 0.04 0.00 0.00 177.00 177.65 1sou n VAL 102 N 5.43 1.62 -3.69 -0.36 0.24 0.06 -4.86 118.33 116.78 1sou n VAL 102 Ca 0.18 -0.67 -0.27 0.00 -2.04 0.00 0.00 64.34 61.53 1sou n VAL 102 Cb 0.42 -1.39 -0.17 0.00 -1.47 0.00 0.00 33.84 31.23 1sou n VAL 102 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1sou s GLU 103 N -2.55 0.45 0.06 7.34 0.41 -1.26 -5.11 118.70 118.05 1sou s GLU 103 Ca -0.22 -0.33 -0.23 0.00 -0.41 0.00 0.00 54.97 53.78 1sou s GLU 103 Cb 0.07 -2.00 0.08 0.00 -1.78 0.00 0.00 34.13 30.50 1sou s GLU 103 CO 0.73 -0.66 1.08 0.41 -0.49 0.00 0.00 175.26 176.33 1sou n GLY 104 N 5.12 0.42 3.66 -1.39 0.00 -1.26 -4.75 105.19 107.00 1sou n GLY 104 Ca -0.08 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 1sou n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sou s GLU 105 N -2.03 4.28 0.15 1.61 8.01 -1.25 -4.82 118.70 124.65 1sou s GLU 105 Ca 0.25 1.24 -0.30 0.00 0.01 0.00 0.00 54.97 56.17 1sou s GLU 105 Cb -0.02 -3.61 -0.08 0.00 -4.31 0.00 0.00 34.13 26.11 1sou s GLU 105 CO 0.02 -0.51 1.31 -0.98 0.01 0.00 0.00 175.26 175.11 1sou s ARG 106 N 2.79 4.38 -0.10 1.61 1.70 -1.26 -0.39 118.95 127.67 1sou s ARG 106 Ca 0.42 2.01 0.02 0.00 -0.47 0.00 0.00 55.73 57.71 1sou s ARG 106 Cb -0.16 -3.23 -0.02 0.00 -0.57 0.00 0.00 34.95 30.97 1sou s ARG 106 CO 0.09 -0.30 -0.15 0.08 -1.08 0.00 0.00 175.30 173.94 1sou s VAL 107 N 0.53 2.93 0.23 4.99 1.01 0.48 -4.89 120.40 125.68 1sou s VAL 107 Ca 0.59 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 1sou s VAL 107 Cb -0.35 -2.19 -0.11 0.00 0.00 0.00 0.00 36.38 33.73 1sou s VAL 107 CO 0.34 0.55 1.56 0.20 0.00 0.00 0.00 175.10 177.76 1sou s ASN 108 N -0.02 6.51 0.45 3.32 -0.87 -1.26 -4.18 114.94 118.89 1sou s ASN 108 Ca -0.04 2.77 0.17 0.00 -1.57 0.00 0.00 52.86 54.19 1sou s ASN 108 Cb -0.14 -2.62 1.12 0.00 -0.02 0.00 0.00 41.25 39.60 1sou s ASN 108 CO 0.04 -0.84 1.96 -0.65 -2.57 0.00 0.00 177.10 175.04 1sou h PRO 109 N 5.71 0.31 0.00 -0.60 0.11 -1.93 0.13 132.00 135.73 1sou h PRO 109 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sou h PRO 109 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1sou h PRO 109 CO 0.85 0.20 0.00 1.49 -0.21 0.00 0.00 178.00 180.33 1sou h GLU 110 N 0.32 0.00 0.00 1.05 4.81 -1.89 -2.46 114.58 116.40 1sou h GLU 110 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1sou h GLU 110 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1sou h GLU 110 CO -0.08 0.00 -0.08 0.22 -0.73 0.00 0.00 179.01 178.34 1sou h ASP 111 N 0.00 0.00 -2.91 1.04 3.58 -1.08 -3.39 116.42 113.65 1sou h ASP 111 Ca 0.00 -0.01 -0.52 0.00 0.42 0.00 0.00 57.03 56.91 1sou h ASP 111 Cb 0.58 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.69 1sou h ASP 111 CO 0.00 0.01 0.95 -0.69 -2.88 0.00 0.00 179.24 176.63 1sou s VAL 112 N -3.17 2.12 -0.25 2.25 1.01 -0.93 -4.91 120.40 116.53 1sou s VAL 112 Ca 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 1sou s VAL 112 Cb 0.09 -3.06 -0.17 0.00 0.00 0.00 0.00 36.38 33.24 1sou s VAL 112 CO 0.65 0.01 -0.17 -0.67 0.00 0.00 0.00 175.10 174.91 1sou n ASP 113 N 3.37 1.99 -3.93 3.32 2.03 -1.25 -2.73 116.55 119.34 1sou n ASP 113 Ca 0.13 -0.02 -0.21 0.00 0.52 0.00 0.00 54.79 55.21 1sou n ASP 113 Cb 0.36 -0.53 -0.16 0.00 -0.72 0.00 0.00 41.12 40.07 1sou n ASP 113 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1sou s PHE 114 N -2.52 0.92 -0.01 -0.67 2.19 -0.87 -0.43 117.98 116.59 1sou s PHE 114 Ca -0.34 -0.28 0.01 0.00 0.33 0.00 0.00 56.93 56.64 1sou s PHE 114 Cb 0.10 -0.75 0.00 0.00 -1.31 0.00 0.00 43.02 41.06 1sou s PHE 114 CO 0.60 -0.20 -0.01 -1.50 1.83 0.00 0.00 175.22 175.94 1sou s ILE 115 N 0.77 0.14 -0.25 3.12 2.07 -0.60 -0.36 121.20 126.10 1sou s ILE 115 Ca -0.12 -0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.05 1sou s ILE 115 Cb -0.14 -0.15 0.02 0.00 0.13 0.00 0.00 42.46 42.32 1sou s ILE 115 CO 0.01 0.06 -0.04 0.00 -1.91 0.00 0.00 174.94 173.05 1sou s ALA 116 N 0.11 2.76 -0.21 1.50 0.00 0.05 -1.02 121.76 124.95 1sou s ALA 116 Ca -0.01 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 1sou s ALA 116 Cb -0.03 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.37 1sou s ALA 116 CO -0.00 -0.76 -0.13 0.08 0.00 0.00 0.00 175.76 174.95 1sou s VAL 117 N 1.37 2.59 -0.95 0.00 1.01 0.45 -2.12 120.40 122.75 1sou s VAL 117 Ca 0.01 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 1sou s VAL 117 Cb -0.16 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1sou s VAL 117 CO -0.04 0.41 1.67 -2.84 0.00 0.00 0.00 175.10 174.30 1sou s PRO 118 N 1.34 3.11 0.68 2.72 0.02 -1.26 -2.23 135.00 139.38 1sou s PRO 118 Ca 0.04 -0.68 -0.14 0.00 0.02 0.00 0.00 61.00 60.24 1sou s PRO 118 Cb -0.14 -5.16 0.01 0.00 0.02 0.00 0.00 34.50 29.22 1sou s PRO 118 CO -0.08 -2.72 1.09 0.20 -0.33 0.00 0.00 177.00 175.16 1sou s GLY 119 N 6.32 2.00 0.08 0.52 0.00 -1.26 -4.84 107.32 110.14 1sou s GLY 119 Ca 0.56 0.41 -0.20 0.00 0.00 0.00 0.00 44.72 45.49 1sou s GLY 119 CO -0.04 0.75 1.60 -2.08 0.00 0.00 0.00 173.10 173.33 1sou h VAL 120 N -0.22 1.18 -2.97 1.40 2.07 -1.94 -3.47 116.25 112.30 1sou h VAL 120 Ca -0.46 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1sou h VAL 120 Cb 1.23 1.21 -0.14 0.00 -1.52 0.00 0.00 31.29 32.08 1sou h VAL 120 CO 0.54 0.17 0.09 0.00 0.02 0.00 0.00 177.57 178.39 1sou s ALA 121 N -5.45 -1.37 0.11 1.67 0.00 -1.26 -4.81 121.76 110.66 1sou s ALA 121 Ca -0.14 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.30 1sou s ALA 121 Cb 0.07 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1sou s ALA 121 CO 0.71 -0.64 -0.11 -0.06 0.00 0.00 0.00 175.76 175.66 1sou s PHE 122 N -3.24 1.18 0.10 0.00 0.08 -1.05 -4.15 117.98 110.89 1sou s PHE 122 Ca -0.01 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.39 1sou s PHE 122 Cb -0.00 -0.63 0.01 0.00 -0.57 0.00 0.00 43.02 41.83 1sou s PHE 122 CO -0.08 0.05 0.07 -0.40 -0.10 0.00 0.00 175.22 174.76 1sou n ASP 123 N 0.37 1.28 0.00 1.36 5.75 -0.88 -0.40 116.55 124.03 1sou n ASP 123 Ca -0.14 -1.33 0.06 0.00 -0.01 0.00 0.00 54.79 53.36 1sou n ASP 123 Cb 0.58 -0.01 0.37 0.00 -1.03 0.00 0.00 41.12 41.03 1sou n ASP 123 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1sou n LEU 124 N 0.00 0.00 -0.00 -2.12 4.77 -0.54 -3.61 117.00 115.51 1sou n LEU 124 Ca -0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sou n LEU 124 Cb 0.11 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1sou n LEU 124 CO 0.07 0.00 -0.51 1.21 -1.33 0.00 0.00 177.39 176.83 1sou n GLU 125 N -0.70 1.31 0.00 3.23 2.13 -1.26 -5.04 120.64 120.31 1sou n GLU 125 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1sou n GLU 125 Cb 0.04 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 30.75 1sou n GLU 125 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sou n GLY 126 N 3.33 -0.28 3.97 8.31 0.00 -1.24 -4.87 105.19 114.41 1sou n GLY 126 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1sou n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sou s TYR 127 N -0.44 3.02 0.00 1.61 1.51 -1.26 -2.29 117.35 119.51 1sou s TYR 127 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 1sou s TYR 127 Cb 0.00 -2.40 0.00 0.00 -0.11 0.00 0.00 41.96 39.45 1sou s TYR 127 CO 0.00 -0.47 0.00 0.54 -1.11 0.00 0.00 175.55 174.51 1sou n ARG 128 N -2.05 2.70 -0.16 -0.62 3.00 -1.26 -2.07 116.66 116.20 1sou n ARG 128 Ca 0.04 0.00 0.10 0.00 -0.01 0.00 0.00 57.85 57.98 1sou n ARG 128 Cb 0.59 0.00 0.17 0.00 0.00 0.00 0.00 32.46 33.21 1sou n ARG 128 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1sou n LEU 129 N 0.00 2.70 0.00 0.55 7.94 -1.26 -4.71 117.00 122.21 1sou n LEU 129 Ca 0.00 -3.09 0.03 0.00 -1.11 0.00 0.00 56.01 51.84 1sou n LEU 129 Cb 0.00 -0.46 -0.01 0.00 0.53 0.00 0.00 43.42 43.48 1sou n LEU 129 CO 0.00 0.72 -0.04 0.61 -1.11 0.00 0.00 177.39 177.56 1sou n GLY 130 N -1.23 -2.20 0.00 -3.96 0.00 -1.26 -4.94 105.19 91.59 1sou n GLY 130 Ca 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1sou n GLY 130 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sou n PHE 131 N -1.49 0.00 0.00 1.61 7.35 -1.26 -4.77 117.46 118.90 1sou n PHE 131 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1sou n PHE 131 Cb 0.11 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.94 1sou n PHE 131 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1sou n GLY 132 N 0.61 0.62 3.72 7.13 0.00 -1.26 -5.13 105.19 110.88 1sou n GLY 132 Ca 0.00 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1sou n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sou s LYS 133 N -2.00 4.17 0.00 1.61 1.02 -1.26 -4.89 119.74 118.38 1sou s LYS 133 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.76 1sou s LYS 133 Cb 0.00 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1sou s LYS 133 CO 0.00 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.13 1sou n GLY 134 N 3.56 -0.81 0.02 -3.33 0.00 -1.26 -4.99 105.19 98.39 1sou n GLY 134 Ca -0.16 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1sou n GLY 134 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sou n TYR 135 N 0.00 0.00 -0.07 1.61 4.01 -1.26 -4.65 117.16 116.79 1sou n TYR 135 Ca 0.00 -0.30 -0.13 0.00 -0.16 0.00 0.00 57.90 57.31 1sou n TYR 135 Cb 0.00 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1sou n TYR 135 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1sou h TYR 136 N 0.00 1.01 -0.11 -0.72 -1.99 -1.94 -1.34 116.97 111.87 1sou h TYR 136 Ca 0.00 -0.33 -0.14 0.00 2.00 0.00 0.00 58.73 60.26 1sou h TYR 136 Cb 0.76 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.28 1sou h TYR 136 CO 0.00 1.13 -0.55 0.38 -0.00 0.00 0.00 178.16 179.13 1sou h ASP 137 N 0.65 0.37 0.24 3.88 2.03 -1.90 -2.53 116.42 119.16 1sou h ASP 137 Ca 0.03 -0.20 -0.07 0.00 -0.73 0.00 0.00 57.03 56.07 1sou h ASP 137 Cb 1.06 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 39.44 1sou h ASP 137 CO 0.11 0.85 -0.29 -0.09 -1.03 0.00 0.00 179.24 178.78 1sou h ARG 138 N 0.26 0.09 -0.25 4.15 1.12 -1.77 -2.20 114.38 115.78 1sou h ARG 138 Ca 0.00 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.79 1sou h ARG 138 Cb 1.05 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.99 1sou h ARG 138 CO 0.09 0.37 -0.06 1.25 -3.11 0.00 0.00 179.97 178.51 1sou h LEU 139 N 0.08 0.49 -1.16 3.80 5.85 -0.97 -2.37 115.31 121.04 1sou h LEU 139 Ca 0.01 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.42 1sou h LEU 139 Cb 0.56 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 1sou h LEU 139 CO 0.04 0.75 0.58 -0.07 -0.34 0.00 0.00 178.44 179.40 1sou h LEU 140 N 0.24 0.91 0.00 2.25 3.38 -0.99 -0.69 115.31 120.40 1sou h LEU 140 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1sou h LEU 140 Cb 0.53 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1sou h LEU 140 CO 0.03 0.60 -0.28 0.50 0.09 0.00 0.00 178.44 179.38 1sou h LYS 141 N 1.04 0.00 0.00 1.13 3.64 -1.44 -3.07 116.57 117.87 1sou h LYS 141 Ca 0.37 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.67 1sou h LYS 141 Cb 0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1sou h LYS 141 CO -0.13 0.16 -0.40 -0.09 -2.27 0.00 0.00 179.45 176.72 1sou h ARG 142 N 0.00 0.00 -6.19 1.90 2.43 -0.65 -3.42 114.38 108.46 1sou h ARG 142 Ca -0.01 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.59 1sou h ARG 142 Cb 1.13 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.63 1sou h ARG 142 CO 0.02 0.40 0.85 0.08 -1.51 0.00 0.00 179.97 179.81 1sou s VAL 143 N -3.19 4.50 -2.48 0.20 1.01 -0.40 -3.18 120.40 116.85 1sou s VAL 143 Ca 0.03 1.78 0.25 0.00 0.00 0.00 0.00 61.98 64.03 1sou s VAL 143 Cb 0.08 -4.26 0.20 0.00 0.00 0.00 0.00 36.38 32.40 1sou s VAL 143 CO 0.71 -0.29 1.33 1.17 0.00 0.00 0.00 175.10 178.02 1sou n LYS 144 N 6.63 1.71 -1.36 2.72 4.81 -1.24 -4.93 118.16 126.50 1sou n LYS 144 Ca 0.13 -1.32 -0.28 0.00 -0.87 0.00 0.00 58.31 55.97 1sou n LYS 144 Cb 0.46 -1.47 0.22 0.00 0.02 0.00 0.00 35.03 34.25 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sou n GLY 145 N 1.34 -2.16 3.67 3.14 0.00 -1.10 -4.94 105.19 105.14 1sou n GLY 145 Ca 0.13 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1sou n GLY 145 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sou s LEU 146 N 0.00 4.34 -0.43 0.99 2.96 0.42 -4.89 118.68 122.08 1sou s LEU 146 Ca 0.69 2.33 -0.18 0.00 -0.22 0.00 0.00 54.13 56.75 1sou s LEU 146 Cb -0.04 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.12 1sou s LEU 146 CO 0.51 -0.89 0.49 -0.54 -1.32 0.00 0.00 176.35 174.59 1sou s LYS 147 N 3.33 3.13 -0.17 1.98 1.02 -1.26 -1.55 119.74 126.21 1sou s LYS 147 Ca 0.73 -0.71 -0.05 0.00 0.02 0.00 0.00 55.97 55.96 1sou s LYS 147 Cb -0.36 -3.98 -0.03 0.00 -0.52 0.00 0.00 37.83 32.95 1sou s LYS 147 CO 0.31 -0.91 -0.01 0.08 -0.92 0.00 0.00 175.35 173.90 1sou s VAL 148 N 2.29 4.12 -0.26 3.17 1.01 -0.19 -0.47 120.40 130.07 1sou s VAL 148 Ca 0.14 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 1sou s VAL 148 Cb -0.17 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1sou s VAL 148 CO 0.14 0.47 0.17 -0.83 0.00 0.00 0.00 175.10 175.05 1sou s GLY 149 N 0.48 1.94 -0.29 4.51 0.00 0.46 -0.41 107.32 114.01 1sou s GLY 149 Ca -0.01 -1.00 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 1sou s GLY 149 CO 0.02 0.52 0.06 0.14 0.00 0.00 0.00 173.10 173.85 1sou s VAL 150 N 1.43 3.80 0.21 1.40 1.01 -0.95 -0.76 120.40 126.54 1sou s VAL 150 Ca 0.07 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 1sou s VAL 150 Cb -0.15 -2.98 0.05 0.00 0.00 0.00 0.00 36.38 33.30 1sou s VAL 150 CO 0.08 0.07 0.66 0.00 0.00 0.00 0.00 175.10 175.90 1sou s ALA 151 N 1.47 -1.43 0.46 5.51 0.00 -1.04 -4.04 121.76 122.68 1sou s ALA 151 Ca 0.02 0.13 -0.07 0.00 0.00 0.00 0.00 51.96 52.04 1sou s ALA 151 Cb -0.17 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1sou s ALA 151 CO 0.02 -0.89 0.79 0.71 0.00 0.00 0.00 175.76 176.38 1sou s TYR 152 N -3.81 3.54 0.52 0.00 2.02 -1.26 -4.03 117.35 114.32 1sou s TYR 152 Ca 0.06 0.89 0.26 0.00 -0.37 0.00 0.00 57.07 57.92 1sou s TYR 152 Cb -0.03 -2.35 1.59 0.00 -0.40 0.00 0.00 41.96 40.76 1sou s TYR 152 CO -0.04 -0.24 2.17 0.66 -1.57 0.00 0.00 175.55 176.53 1sou h SER 153 N 0.51 0.00 0.79 2.29 4.64 -1.95 -1.78 113.55 118.05 1sou h SER 153 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1sou h SER 153 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1sou h SER 153 CO 0.62 0.05 0.00 2.22 -0.87 0.00 0.00 176.83 178.86 1sou n PHE 154 N -3.89 0.00 -0.17 4.77 1.16 -1.26 -2.21 117.46 115.86 1sou n PHE 154 Ca -0.03 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.62 1sou n PHE 154 Cb 0.14 -0.46 0.18 0.00 -1.61 0.00 0.00 39.48 37.73 1sou n PHE 154 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 1sou n GLN 155 N -1.46 2.73 -3.55 3.97 1.13 -0.67 -4.88 117.38 114.64 1sou n GLN 155 Ca 0.07 -2.13 -0.40 0.00 -1.94 0.00 0.00 57.00 52.61 1sou n GLN 155 Cb 0.28 -1.33 -0.11 0.00 0.11 0.00 0.00 30.24 29.19 1sou n GLN 155 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1sou s VAL 156 N -1.01 5.25 0.56 5.09 1.01 -0.94 -2.52 120.40 127.84 1sou s VAL 156 Ca 0.28 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1sou s VAL 156 Cb 0.15 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1sou s VAL 156 CO 0.19 0.07 0.36 -0.36 0.00 0.00 0.00 175.10 175.37 1sou s PHE 157 N 1.73 1.52 -0.00 5.22 0.08 0.46 -4.99 117.98 122.00 1sou s PHE 157 Ca 0.06 -0.90 -0.02 0.00 0.12 0.00 0.00 56.93 56.19 1sou s PHE 157 Cb -0.17 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 1sou s PHE 157 CO 0.10 -0.44 0.49 0.93 -0.10 0.00 0.00 175.22 176.21 1sou h GLU 158 N 0.77 -0.08 -3.52 0.44 5.08 -1.92 -2.76 114.58 112.58 1sou h GLU 158 Ca -0.37 0.01 -0.44 0.00 -1.00 0.00 0.00 59.36 57.55 1sou h GLU 158 Cb 1.31 0.02 -0.39 0.00 0.50 0.00 0.00 28.75 30.19 1sou h GLU 158 CO 0.59 -0.05 -0.76 0.50 -1.00 0.00 0.00 179.01 178.29 1sou s ARG 159 N -2.14 0.42 0.17 2.33 6.06 -1.26 -1.46 118.95 123.07 1sou s ARG 159 Ca -0.01 0.05 -0.00 0.00 -2.50 0.00 0.00 55.73 53.27 1sou s ARG 159 Cb 0.00 -1.17 -0.04 0.00 0.06 0.00 0.00 34.95 33.80 1sou s ARG 159 CO 0.04 -0.41 0.35 -0.51 -2.50 0.00 0.00 175.30 172.27 1sou s LEU 160 N 2.01 4.27 -0.24 -0.88 1.43 -1.26 -5.03 118.68 118.99 1sou s LEU 160 Ca 0.04 0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 53.16 1sou s LEU 160 Cb -0.13 -3.09 -0.08 0.00 0.03 0.00 0.00 46.19 42.91 1sou s LEU 160 CO -0.06 0.00 2.16 -2.65 0.23 0.00 0.00 176.35 176.03 1sou n PRO 161 N -0.52 1.72 -3.22 1.29 -0.02 -1.26 -4.94 135.00 128.06 1sou n PRO 161 Ca -0.05 0.51 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 1sou n PRO 161 Cb 0.53 -2.88 -0.05 0.00 -0.02 0.00 0.00 33.50 31.09 1sou n PRO 161 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sou s ARG 162 N 5.92 3.86 0.02 -0.52 0.52 -1.26 -4.75 118.95 122.74 1sou s ARG 162 Ca 1.02 0.43 0.04 0.00 -0.52 0.00 0.00 55.73 56.71 1sou s ARG 162 Cb -0.57 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 1sou s ARG 162 CO 0.43 0.19 -0.12 0.34 0.02 0.00 0.00 175.30 176.16 1sou s ASP 163 N -2.51 1.41 0.35 0.23 -1.08 -1.26 -5.03 116.67 108.78 1sou s ASP 163 Ca 0.50 -0.33 0.26 0.00 -0.52 0.00 0.00 52.55 52.46 1sou s ASP 163 Cb -0.11 -0.11 1.18 0.00 -1.46 0.00 0.00 42.92 42.42 1sou s ASP 163 CO 0.22 0.07 1.79 0.00 0.52 0.00 0.00 175.17 177.76 1sou h ALA 164 N 5.37 1.00 -0.31 3.66 0.00 -2.04 -1.97 119.26 124.97 1sou h ALA 164 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1sou h ALA 164 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1sou h ALA 164 CO 0.46 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.62 1sou n TRP 165 N -2.44 0.61 -3.08 0.00 8.01 -1.26 -4.91 117.44 114.37 1sou n TRP 165 Ca 0.01 -0.62 -0.42 0.00 -1.31 0.00 0.00 57.50 55.16 1sou n TRP 165 Cb 0.19 -0.12 -0.06 0.00 -2.01 0.00 0.00 31.31 29.31 1sou n TRP 165 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1sou s ASP 166 N -1.29 6.47 -0.36 -0.99 2.15 -0.74 -5.01 116.67 116.90 1sou s ASP 166 Ca 0.29 0.26 -0.29 0.00 0.43 0.00 0.00 52.55 53.24 1sou s ASP 166 Cb 0.19 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 1sou s ASP 166 CO 0.13 -0.59 1.40 -0.63 -0.17 0.00 0.00 175.17 175.30 1sou s ILE 167 N 2.77 3.96 0.73 4.11 1.01 -1.26 -4.89 121.20 127.62 1sou s ILE 167 Ca 0.26 1.03 -0.11 0.00 0.00 0.00 0.00 60.65 61.82 1sou s ILE 167 Cb -0.14 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1sou s ILE 167 CO 0.14 -0.62 1.09 -2.16 0.00 0.00 0.00 174.94 173.39 1sou s PRO 168 N 4.67 2.69 0.35 2.79 0.04 -1.26 -4.84 135.00 139.44 1sou s PRO 168 Ca 0.61 0.59 0.07 0.00 0.04 0.00 0.00 61.00 62.31 1sou s PRO 168 Cb -0.16 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1sou s PRO 168 CO 0.29 -1.18 0.39 0.14 0.04 0.00 0.00 177.00 176.68 1sou s VAL 169 N -3.25 3.57 -0.24 -0.36 -7.23 -0.97 -4.98 120.40 106.94 1sou s VAL 169 Ca 0.59 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 1sou s VAL 169 Cb -0.12 -3.23 -0.15 0.00 0.56 0.00 0.00 36.38 33.44 1sou s VAL 169 CO 0.53 -0.13 -0.23 -0.67 -0.31 0.00 0.00 175.10 174.29 1sou n ASP 170 N -1.53 2.09 -4.20 4.85 -0.08 0.38 -4.69 116.55 113.36 1sou n ASP 170 Ca 0.00 -0.08 -0.34 0.00 -1.51 0.00 0.00 54.79 52.86 1sou n ASP 170 Cb 0.59 -0.42 -0.15 0.00 2.34 0.00 0.00 41.12 43.48 1sou n ASP 170 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1sou s VAL 171 N -2.48 2.57 -0.35 5.18 1.01 -0.95 -0.77 120.40 124.61 1sou s VAL 171 Ca -0.33 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 1sou s VAL 171 Cb 0.09 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1sou s VAL 171 CO 0.55 0.50 0.23 -0.22 0.00 0.00 0.00 175.10 176.16 1sou s LEU 172 N 1.30 4.57 -0.22 3.92 2.96 -0.61 -0.40 118.68 130.19 1sou s LEU 172 Ca 0.04 -0.57 -0.06 0.00 -0.22 0.00 0.00 54.13 53.33 1sou s LEU 172 Cb -0.14 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 1sou s LEU 172 CO -0.08 -0.28 0.02 -0.69 -1.32 0.00 0.00 176.35 174.00 1sou s VAL 173 N 1.68 4.01 0.00 1.68 1.01 0.06 -0.74 120.40 128.11 1sou s VAL 173 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1sou s VAL 173 Cb -0.18 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1sou s VAL 173 CO 0.09 0.40 0.00 0.35 0.00 0.00 0.00 175.10 175.94 1sou n THR 174 N 4.56 0.00 0.20 3.92 -2.24 -0.53 -2.49 114.28 117.70 1sou n THR 174 Ca -0.17 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 1sou n THR 174 Cb 0.51 -0.43 0.37 0.00 -2.10 0.00 0.00 70.33 68.68 1sou n THR 174 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1sou h GLU 175 N 0.00 0.00 0.00 -0.78 9.09 -1.92 -3.39 114.58 117.58 1sou h GLU 175 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.30 1sou h GLU 175 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 1sou h GLU 175 CO 0.00 0.32 -1.38 1.17 0.05 0.00 0.00 179.01 179.17 1sou n LYS 176 N -3.46 0.15 -4.37 1.06 4.81 -1.26 -4.38 118.16 110.70 1sou n LYS 176 Ca 0.00 0.06 -0.19 0.00 -0.87 0.00 0.00 58.31 57.30 1sou n LYS 176 Cb 0.49 -0.84 -0.10 0.00 0.02 0.00 0.00 35.03 34.61 1sou n LYS 176 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1sou s ASN 177 N -5.37 1.74 -0.18 3.14 -0.87 -1.26 -5.06 114.94 107.07 1sou s ASN 177 Ca -0.09 -1.50 0.00 0.00 -1.57 0.00 0.00 52.86 49.70 1sou s ASN 177 Cb 0.03 0.27 0.04 0.00 -0.02 0.00 0.00 41.25 41.57 1sou s ASN 177 CO 0.13 -0.81 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.07 1sou s VAL 178 N -3.55 1.44 -0.33 1.60 1.01 -1.26 -1.46 120.40 117.86 1sou s VAL 178 Ca 0.35 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1sou s VAL 178 Cb 0.06 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1sou s VAL 178 CO 0.16 0.16 0.23 -0.60 0.00 0.00 0.00 175.10 175.05 1sou s ARG 179 N 1.49 3.59 -0.80 2.72 3.52 0.08 -4.96 118.95 124.59 1sou s ARG 179 Ca -0.00 -0.57 -0.25 0.00 -0.13 0.00 0.00 55.73 54.77 1sou s ARG 179 Cb -0.16 -3.77 -0.01 0.00 -1.56 0.00 0.00 34.95 29.45 1sou s ARG 179 CO -0.08 -0.39 1.70 1.03 -0.81 0.00 0.00 175.30 176.75 1sou s ARG 180 N 1.73 2.90 0.12 5.12 1.81 -1.26 -1.57 118.95 127.79 1sou s ARG 180 Ca 0.06 -0.16 -0.13 0.00 -1.72 0.00 0.00 55.73 53.78 1sou s ARG 180 Cb -0.17 -4.74 -0.05 0.00 -0.45 0.00 0.00 34.95 29.54 1sou s ARG 180 CO 0.11 -2.72 1.47 -0.07 -0.68 0.00 0.00 175.30 173.41 1sou h LEU 181 N 15.52 0.84 -2.13 2.53 3.38 -1.27 -3.49 115.31 130.69 1sou h LEU 181 Ca -0.07 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1sou h LEU 181 Cb 1.06 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.46 1sou h LEU 181 CO 1.27 1.10 -1.41 -1.14 0.09 0.00 0.00 178.44 178.34 1sou n ARG 182 N -4.22 -4.07 0.08 1.13 0.63 -0.37 -4.94 116.66 104.90 1sou n ARG 182 Ca -0.02 3.12 -0.15 0.00 -0.92 0.00 0.00 57.85 59.88 1sou n ARG 182 Cb 0.46 -4.64 -0.08 0.00 0.45 0.00 0.00 32.46 28.65 1sou n ARG 182 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1sou h ASP 183 N 3.59 0.51 -1.34 6.15 3.58 -1.89 -3.40 116.42 123.62 1sou h ASP 183 Ca -0.49 -0.45 -0.60 0.00 0.42 0.00 0.00 57.03 55.90 1sou h ASP 183 Cb 1.11 -0.16 -0.11 0.00 1.72 0.00 0.00 39.33 41.90 1sou h ASP 183 CO 0.01 1.28 1.40 -0.83 -2.88 0.00 0.00 179.24 178.22 1sou s GLY 184 N -4.49 1.29 0.57 -0.78 0.00 -1.26 -4.98 107.32 97.67 1sou s GLY 184 Ca -0.05 -2.23 -0.04 0.00 0.00 0.00 0.00 44.72 42.39 1sou s GLY 184 CO 0.88 2.62 0.78 0.54 0.00 0.00 0.00 173.10 177.92 1sou n ARG 185 N 8.71 -0.26 -1.76 2.90 1.74 -1.26 -4.96 116.66 121.77 1sou n ARG 185 Ca 0.29 -1.73 -0.43 0.00 -0.77 0.00 0.00 57.85 55.22 1sou n ARG 185 Cb 0.51 -0.64 -0.03 0.00 -1.02 0.00 0.00 32.46 31.27 1sou n ARG 185 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1sou s SER 186 N -4.05 5.99 -0.03 0.55 0.01 -1.26 -4.97 113.70 109.94 1sou s SER 186 Ca 0.49 2.03 -0.21 0.00 1.31 0.00 0.00 55.95 59.56 1sou s SER 186 Cb -0.02 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 1sou s SER 186 CO 0.33 -1.52 0.63 -0.22 0.41 0.00 0.00 173.24 172.87 1sou s LEU 187 N 6.37 4.38 0.00 2.44 2.96 -1.26 -4.73 118.68 128.83 1sou s LEU 187 Ca 0.89 1.16 0.00 0.00 -0.22 0.00 0.00 54.13 55.96 1sou s LEU 187 Cb -0.33 -2.97 0.00 0.00 0.50 0.00 0.00 46.19 43.38 1sou s LEU 187 CO 0.36 0.02 0.00 -0.62 -1.32 0.00 0.00 176.35 174.79 1sou n GLU 188 N 3.14 0.00 0.00 1.98 -0.58 -1.26 -4.78 120.64 119.14 1sou n GLU 188 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1sou n GLU 188 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 1sou n GLU 188 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1sou n HIS 189 N 0.00 0.00 -0.12 -0.32 -0.00 -1.26 -4.53 115.22 108.99 1sou n HIS 189 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 1sou n HIS 189 Cb 0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 29.99 29.89 1sou n HIS 189 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1sou n HIS 190 N -0.15 0.29 -2.29 1.57 8.25 -1.26 -4.86 115.22 116.77 1sou n HIS 190 Ca 0.00 0.13 -0.41 0.00 -0.26 0.00 0.00 57.72 57.17 1sou n HIS 190 Cb 0.00 -0.96 -0.03 0.00 1.12 0.00 0.00 29.99 30.12 1sou n HIS 190 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1sou s HIS 191 N -2.50 2.15 0.03 4.41 4.02 -1.26 -4.25 115.29 117.88 1sou s HIS 191 Ca -0.34 0.54 0.00 0.00 1.02 0.00 0.00 55.06 56.28 1sou s HIS 191 Cb 0.11 -4.31 0.00 0.00 -1.02 0.00 0.00 32.58 27.36 1sou s HIS 191 CO 0.50 -2.14 0.00 1.58 1.02 0.00 0.00 174.74 175.70 1sou n HIS 192 N 10.07 -2.28 -3.64 1.40 -0.00 -1.26 -5.00 115.22 114.51 1sou n HIS 192 Ca 0.15 0.11 -0.14 0.00 0.46 0.00 0.00 57.72 58.30 1sou n HIS 192 Cb 0.49 0.66 -0.07 0.00 -0.12 0.00 0.00 29.99 30.95 1sou n HIS 192 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1sou s HIS 193 N -1.84 -0.76 -2.03 1.57 2.46 -1.26 -5.24 115.29 108.19 1sou s HIS 193 Ca 0.00 1.84 0.32 0.00 0.47 0.00 0.00 55.06 57.69 1sou s HIS 193 Cb 0.00 0.26 1.87 0.00 -0.13 0.00 0.00 32.58 34.58 1sou s HIS 193 CO 0.00 -0.36 2.20 0.72 -2.47 0.00 0.00 174.74 174.83