#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1o s ILE 2 N 0.00 2.52 -0.29 2.02 1.01 -0.55 -2.57 121.20 123.34 2h1o s ILE 2 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 2h1o s ILE 2 Cb 0.00 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2h1o s ILE 2 CO 0.00 0.55 0.13 -0.22 0.00 0.00 0.00 174.94 175.40 2h1o s LEU 3 N 0.14 3.87 -0.11 2.97 2.96 -0.41 -0.02 118.68 128.09 2h1o s LEU 3 Ca -0.10 -0.34 -0.23 0.00 -0.22 0.00 0.00 54.13 53.24 2h1o s LEU 3 Cb -0.16 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 2h1o s LEU 3 CO 0.06 -0.12 0.69 -0.76 -1.32 0.00 0.00 176.35 174.90 2h1o s LEU 4 N 1.64 4.26 0.82 -0.68 1.43 -0.92 -1.59 118.68 123.63 2h1o s LEU 4 Ca 0.06 1.10 -0.10 0.00 -1.03 0.00 0.00 54.13 54.16 2h1o s LEU 4 Cb -0.16 -3.04 0.13 0.00 0.03 0.00 0.00 46.19 43.15 2h1o s LEU 4 CO 0.06 -0.17 1.15 -0.62 0.23 0.00 0.00 176.35 177.00 2h1o s ASP 5 N 0.90 4.01 0.09 2.29 3.68 -1.12 -4.57 116.67 121.95 2h1o s ASP 5 Ca 0.35 0.23 -0.26 0.00 2.13 0.00 0.00 52.55 55.00 2h1o s ASP 5 Cb -0.17 -0.56 -0.14 0.00 -1.45 0.00 0.00 42.92 40.59 2h1o s ASP 5 CO 0.15 -2.14 1.69 0.74 0.13 0.00 0.00 175.17 175.75 2h1o h THR 6 N -1.04 0.74 -0.26 1.71 2.02 -1.90 -3.14 112.91 111.04 2h1o h THR 6 Ca -0.43 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.80 2h1o h THR 6 Cb 1.27 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2h1o h THR 6 CO 0.48 0.00 0.18 -0.55 0.37 0.00 0.00 175.52 175.99 2h1o h ASN 7 N -0.30 0.10 -0.04 4.18 7.08 -1.94 -1.64 115.58 123.02 2h1o h ASN 7 Ca -0.01 -0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.17 2h1o h ASN 7 Cb 0.26 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.48 2h1o h ASN 7 CO 0.01 0.07 -0.11 0.58 -2.08 0.00 0.00 177.43 175.90 2h1o h VAL 8 N 0.12 1.45 0.00 6.14 2.07 -1.81 -2.76 116.25 121.46 2h1o h VAL 8 Ca 0.12 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.14 2h1o h VAL 8 Cb 0.32 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2h1o h VAL 8 CO -0.01 0.41 0.00 0.00 0.02 0.00 0.00 177.57 177.98 2h1o n ILE 9 N -4.66 0.77 0.12 4.57 3.06 -1.12 -2.64 119.36 119.46 2h1o n ILE 9 Ca -0.08 0.14 -0.19 0.00 -2.50 0.00 0.00 62.75 60.11 2h1o n ILE 9 Cb 0.37 -0.99 -0.15 0.00 0.54 0.00 0.00 39.64 39.41 2h1o n ILE 9 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 2h1o h SER 10 N 0.00 0.60 -0.79 9.51 0.02 -1.21 -3.39 113.55 118.29 2h1o h SER 10 Ca 0.00 -0.64 0.08 0.00 -0.84 0.00 0.00 61.79 60.39 2h1o h SER 10 Cb 0.41 -0.20 -0.11 0.00 0.14 0.00 0.00 62.40 62.64 2h1o h SER 10 CO 0.00 1.50 -0.56 -0.08 -1.14 0.00 0.00 176.83 176.55 2h1o h GLU 11 N 0.11 -0.13 -1.02 3.45 4.57 -1.25 -1.74 114.58 118.57 2h1o h GLU 11 Ca -0.18 0.01 0.27 0.00 -1.18 0.00 0.00 59.36 58.27 2h1o h GLU 11 Cb 2.05 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 30.59 2h1o h GLU 11 CO 0.23 -0.09 0.69 -1.35 -1.18 0.00 0.00 179.01 177.31 2h1o h PRO 12 N -0.14 0.26 0.00 0.92 0.11 -1.76 0.22 132.00 131.61 2h1o h PRO 12 Ca 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2h1o h PRO 12 Cb 0.49 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2h1o h PRO 12 CO -0.82 0.17 0.00 1.28 -0.21 0.00 0.00 178.00 178.42 2h1o n LEU 13 N -4.47 0.62 -4.59 2.35 4.77 -0.66 -4.68 117.00 110.33 2h1o n LEU 13 Ca 0.23 0.59 -0.29 0.00 -0.03 0.00 0.00 56.01 56.52 2h1o n LEU 13 Cb 0.92 -0.43 0.22 0.00 -2.33 0.00 0.00 43.42 41.80 2h1o n LEU 13 CO 0.31 -0.28 0.59 -0.13 -1.33 0.00 0.00 177.39 176.55 2h1o s ARG 14 N -3.15 -0.40 0.08 3.23 0.52 0.06 -4.97 118.95 114.32 2h1o s ARG 14 Ca 0.09 0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 55.51 2h1o s ARG 14 Cb 0.12 -1.64 -0.18 0.00 0.52 0.00 0.00 34.95 33.77 2h1o s ARG 14 CO 0.50 -3.29 1.65 -1.35 0.02 0.00 0.00 175.30 172.84 2h1o h PRO 15 N -2.30 -0.65 -2.49 3.54 0.11 -1.89 -3.32 132.00 125.00 2h1o h PRO 15 Ca -0.56 0.04 -0.61 0.00 0.11 0.00 0.00 66.00 64.99 2h1o h PRO 15 Cb 1.33 0.15 -0.42 0.00 0.11 0.00 0.00 31.00 32.17 2h1o h PRO 15 CO 0.52 -0.43 -0.59 1.04 -0.21 0.00 0.00 178.00 178.33 2h1o n GLN 16 N -5.38 2.29 -1.41 1.05 3.00 -1.26 -5.09 117.38 110.58 2h1o n GLN 16 Ca -0.12 -4.61 -0.40 0.00 -0.01 0.00 0.00 57.00 51.87 2h1o n GLN 16 Cb 0.29 -2.26 0.02 0.00 0.00 0.00 0.00 30.24 28.28 2h1o n GLN 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2h1o n PRO 17 N 1.22 0.39 -2.47 -1.09 -0.04 -1.25 -4.83 135.00 126.93 2h1o n PRO 17 Ca 0.27 0.15 -0.43 0.00 -0.04 0.00 0.00 63.50 63.44 2h1o n PRO 17 Cb 0.39 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 2h1o n PRO 17 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2h1o s ASN 18 N -1.06 6.60 0.10 3.54 3.84 -1.26 -4.93 114.94 121.77 2h1o s ASN 18 Ca 0.64 0.92 -0.23 0.00 0.21 0.00 0.00 52.86 54.40 2h1o s ASN 18 Cb -0.51 -2.54 -0.07 0.00 -0.55 0.00 0.00 41.25 37.57 2h1o s ASN 18 CO 0.59 -1.19 1.40 -0.08 -2.79 0.00 0.00 177.10 175.02 2h1o h GLU 19 N 9.52 -0.18 -0.81 0.43 4.57 -2.00 -1.59 114.58 124.52 2h1o h GLU 19 Ca -0.25 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.14 2h1o h GLU 19 Cb 1.09 0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 29.59 2h1o h GLU 19 CO 1.07 -0.12 0.19 -0.09 -1.18 0.00 0.00 179.01 178.88 2h1o h ARG 20 N -0.18 0.22 0.80 1.92 2.43 -1.91 -0.98 114.38 116.67 2h1o h ARG 20 Ca 0.08 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2h1o h ARG 20 Cb 0.38 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2h1o h ARG 20 CO -0.52 0.15 -0.38 0.28 -1.51 0.00 0.00 179.97 177.98 2h1o h VAL 21 N 0.23 0.07 -0.60 0.20 2.07 -1.51 -1.80 116.25 114.91 2h1o h VAL 21 Ca 0.48 -0.18 0.11 0.00 0.82 0.00 0.00 66.70 67.94 2h1o h VAL 21 Cb 0.90 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.64 2h1o h VAL 21 CO -0.60 0.01 -0.26 0.58 0.02 0.00 0.00 177.57 177.31 2h1o h VAL 22 N -1.23 0.24 -0.58 2.57 2.07 -0.81 0.30 116.25 118.80 2h1o h VAL 22 Ca -0.11 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.53 2h1o h VAL 22 Cb 0.83 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 30.74 2h1o h VAL 22 CO 0.18 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.74 2h1o h ALA 23 N 1.25 0.53 -0.03 1.67 0.00 -1.14 0.85 119.26 122.39 2h1o h ALA 23 Ca 0.26 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.39 2h1o h ALA 23 Cb 0.53 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2h1o h ALA 23 CO -0.67 -0.40 -0.11 2.35 0.00 0.00 0.00 179.25 180.42 2h1o h TRP 24 N 0.09 -0.28 -0.97 0.00 7.01 0.40 -0.74 115.95 121.46 2h1o h TRP 24 Ca 0.30 0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.47 2h1o h TRP 24 Cb 0.47 0.13 -0.09 0.00 -2.10 0.00 0.00 29.16 27.58 2h1o h TRP 24 CO -0.38 -0.17 0.61 -0.07 -2.79 0.00 0.00 178.44 175.64 2h1o h LEU 25 N -0.17 0.78 -2.16 0.65 3.38 0.28 0.25 115.31 118.31 2h1o h LEU 25 Ca 0.05 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2h1o h LEU 25 Cb 0.24 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2h1o h LEU 25 CO -0.13 0.36 -0.03 0.44 0.09 0.00 0.00 178.44 179.17 2h1o h ASP 26 N 0.81 0.00 -0.51 -0.43 5.19 0.59 -2.73 116.42 119.33 2h1o h ASP 26 Ca 0.51 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.76 2h1o h ASP 26 Cb 0.73 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.15 2h1o h ASP 26 CO -0.28 0.03 0.20 -1.54 -3.12 0.00 0.00 179.24 174.53 2h1o n SER 27 N -3.23 3.88 -4.58 6.45 3.41 0.08 -4.94 113.62 114.69 2h1o n SER 27 Ca -0.01 -2.83 -0.24 0.00 -0.26 0.00 0.00 58.87 55.53 2h1o n SER 27 Cb 0.20 -0.67 -0.09 0.00 -0.26 0.00 0.00 64.21 63.39 2h1o n SER 27 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2h1o s LEU 28 N -2.01 2.90 -0.52 1.04 1.43 -1.03 -5.09 118.68 115.40 2h1o s LEU 28 Ca 0.37 -0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 2h1o s LEU 28 Cb 0.30 -1.34 0.13 0.00 0.03 0.00 0.00 46.19 45.30 2h1o s LEU 28 CO 0.09 -0.09 0.46 -0.63 0.23 0.00 0.00 176.35 176.41 2h1o s ILE 29 N -2.47 4.95 0.09 -0.59 -1.09 -1.26 -4.98 121.20 115.84 2h1o s ILE 29 Ca 0.32 -1.58 -0.06 0.00 -2.23 0.00 0.00 60.65 57.10 2h1o s ILE 29 Cb -0.03 -4.19 0.11 0.00 -1.58 0.00 0.00 42.46 36.76 2h1o s ILE 29 CO 0.18 -0.85 0.59 -0.11 -1.23 0.00 0.00 174.94 173.52 2h1o n LEU 30 N 5.16 -0.22 0.00 2.97 7.94 -1.26 0.17 117.00 131.76 2h1o n LEU 30 Ca -0.12 0.66 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 2h1o n LEU 30 Cb 0.40 -0.16 0.02 0.00 0.53 0.00 0.00 43.42 44.21 2h1o n LEU 30 CO 0.51 -0.60 0.32 -0.62 -1.11 0.00 0.00 177.39 175.90 2h1o n GLU 31 N -4.57 0.02 -0.02 1.96 4.71 -1.26 -0.75 120.64 120.72 2h1o n GLU 31 Ca 0.04 0.11 0.06 0.00 -0.01 0.00 0.00 57.16 57.36 2h1o n GLU 31 Cb 0.16 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 28.96 2h1o n GLU 31 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2h1o n ASP 32 N -1.12 1.16 -4.81 1.62 4.64 0.46 -4.95 116.55 113.55 2h1o n ASP 32 Ca 0.00 0.00 -0.39 0.00 -1.38 0.00 0.00 54.79 53.03 2h1o n ASP 32 Cb 0.00 1.62 -0.06 0.00 -1.04 0.00 0.00 41.12 41.64 2h1o n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2h1o s VAL 33 N -3.03 4.77 0.43 5.18 1.01 0.07 -1.49 120.40 127.33 2h1o s VAL 33 Ca -0.06 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.15 2h1o s VAL 33 Cb 0.10 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2h1o s VAL 33 CO 0.69 0.55 0.14 -1.22 0.00 0.00 0.00 175.10 175.25 2h1o n TYR 34 N 1.80 0.23 -3.78 5.22 4.02 0.97 -4.95 117.16 120.67 2h1o n TYR 34 Ca -0.10 -2.67 -0.13 0.00 -0.01 0.00 0.00 57.90 54.98 2h1o n TYR 34 Cb 0.51 -0.03 -0.11 0.00 -0.02 0.00 0.00 39.34 39.68 2h1o n TYR 34 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2h1o s LEU 35 N 0.00 0.93 0.18 7.72 1.43 -0.79 -2.17 118.68 125.98 2h1o s LEU 35 Ca 0.19 0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 53.58 2h1o s LEU 35 Cb 0.01 0.97 -0.08 0.00 0.03 0.00 0.00 46.19 47.12 2h1o s LEU 35 CO 0.14 -0.12 0.77 -0.55 0.23 0.00 0.00 176.35 176.82 2h1o s SER 36 N 0.05 7.35 0.48 2.29 0.15 -1.26 0.15 113.70 122.91 2h1o s SER 36 Ca -0.01 1.63 0.28 0.00 0.70 0.00 0.00 55.95 58.55 2h1o s SER 36 Cb -0.02 -2.49 1.35 0.00 -1.71 0.00 0.00 66.02 63.15 2h1o s SER 36 CO 0.01 0.18 1.79 0.00 1.20 0.00 0.00 173.24 176.42 2h1o h ALA 37 N 4.18 2.71 0.95 5.45 0.00 0.14 0.18 119.26 132.87 2h1o h ALA 37 Ca -0.47 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2h1o h ALA 37 Cb 1.20 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.07 2h1o h ALA 37 CO 0.66 -1.08 -0.48 0.82 0.00 0.00 0.00 179.25 179.17 2h1o h ILE 38 N 0.17 0.02 -0.98 0.00 1.08 -1.92 0.23 117.51 116.12 2h1o h ILE 38 Ca 0.57 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 65.22 2h1o h ILE 38 Cb 1.90 0.02 -0.10 0.00 -3.07 0.00 0.00 36.82 35.56 2h1o h ILE 38 CO -0.14 0.00 0.58 0.74 -0.69 0.00 0.00 178.15 178.63 2h1o h THR 39 N -1.31 0.71 -0.75 -0.27 2.02 -1.09 0.25 112.91 112.47 2h1o h THR 39 Ca -0.13 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 2h1o h THR 39 Cb 1.02 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2h1o h THR 39 CO 0.20 0.13 0.24 0.58 0.37 0.00 0.00 175.52 177.04 2h1o h VAL 40 N 0.74 1.26 0.13 3.16 2.07 -0.77 -0.85 116.25 121.99 2h1o h VAL 40 Ca 0.56 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2h1o h VAL 40 Cb 0.85 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2h1o h VAL 40 CO -0.38 0.36 -0.30 0.00 0.02 0.00 0.00 177.57 177.27 2h1o h ALA 41 N 1.13 -0.53 0.02 1.67 0.00 0.28 -1.96 119.26 119.87 2h1o h ALA 41 Ca 0.24 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2h1o h ALA 41 Cb 0.31 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2h1o h ALA 41 CO -0.01 -0.85 -0.42 0.93 0.00 0.00 0.00 179.25 178.90 2h1o h GLU 42 N -0.53 -0.57 -0.76 0.00 5.08 -0.71 -0.91 114.58 116.18 2h1o h GLU 42 Ca 0.03 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.59 2h1o h GLU 42 Cb 0.56 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.82 2h1o h GLU 42 CO -0.17 -0.38 0.20 0.52 -1.00 0.00 0.00 179.01 178.19 2h1o h MET 43 N -0.59 0.28 -0.38 2.33 2.86 -1.01 0.49 114.93 118.91 2h1o h MET 43 Ca 0.04 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 2h1o h MET 43 Cb 0.66 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 2h1o h MET 43 CO -0.31 0.18 -0.12 0.00 1.06 0.00 0.00 176.91 177.73 2h1o h ARG 44 N 0.29 0.67 -0.21 1.72 3.08 -0.77 -2.00 114.38 117.16 2h1o h ARG 44 Ca 0.43 -0.21 -0.20 0.00 0.07 0.00 0.00 59.98 60.07 2h1o h ARG 44 Cb 0.75 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2h1o h ARG 44 CO -0.52 0.77 -0.65 1.25 -1.07 0.00 0.00 179.97 179.76 2h1o h LEU 45 N 0.61 0.88 -1.23 3.04 5.85 0.34 -0.28 115.31 124.52 2h1o h LEU 45 Ca 0.11 -0.51 0.01 0.00 0.84 0.00 0.00 57.88 58.32 2h1o h LEU 45 Cb 0.56 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2h1o h LEU 45 CO 0.04 1.30 0.52 1.23 -0.34 0.00 0.00 178.44 181.18 2h1o h GLY 46 N 0.75 1.10 0.45 3.75 0.00 0.08 -1.66 103.07 107.54 2h1o h GLY 46 Ca -0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2h1o h GLY 46 CO 0.13 0.41 -0.06 -2.08 0.00 0.00 0.00 176.54 174.94 2h1o h VAL 47 N 1.06 1.02 -0.90 4.60 2.07 -1.17 -3.30 116.25 119.64 2h1o h VAL 47 Ca 0.29 -1.08 0.21 0.00 0.82 0.00 0.00 66.70 66.94 2h1o h VAL 47 Cb -0.12 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 2h1o h VAL 47 CO -0.06 0.24 0.60 0.00 0.02 0.00 0.00 177.57 178.37 2h1o h ALA 48 N -0.02 2.27 0.00 1.67 0.00 -0.76 -1.91 119.26 120.51 2h1o h ALA 48 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2h1o h ALA 48 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2h1o h ALA 48 CO 0.03 -0.56 0.00 1.28 0.00 0.00 0.00 179.25 180.00 2h1o n LEU 49 N -4.49 0.00 -4.70 0.00 4.77 -0.65 -4.86 117.00 107.07 2h1o n LEU 49 Ca 0.19 0.18 -0.29 0.00 -0.03 0.00 0.00 56.01 56.06 2h1o n LEU 49 Cb 0.73 -0.18 0.16 0.00 -2.33 0.00 0.00 43.42 41.79 2h1o n LEU 49 CO 0.31 -0.05 0.66 -0.76 -1.33 0.00 0.00 177.39 176.22 2h1o s LEU 50 N -2.36 1.83 0.34 2.23 1.43 -0.72 -5.01 118.68 116.41 2h1o s LEU 50 Ca 0.26 1.23 -0.23 0.00 -1.03 0.00 0.00 54.13 54.37 2h1o s LEU 50 Cb 0.15 -3.50 -0.10 0.00 0.03 0.00 0.00 46.19 42.78 2h1o s LEU 50 CO 0.32 -2.91 0.90 -0.76 0.23 0.00 0.00 176.35 174.12 2h1o s LEU 51 N -6.33 4.21 0.18 1.79 2.01 -1.26 -4.99 118.68 114.28 2h1o s LEU 51 Ca 0.65 1.69 -0.31 0.00 0.01 0.00 0.00 54.13 56.17 2h1o s LEU 51 Cb -0.18 -4.10 -0.09 0.00 0.01 0.00 0.00 46.19 41.83 2h1o s LEU 51 CO 0.57 -0.14 1.45 0.20 1.01 0.00 0.00 176.35 179.43 2h1o s ASN 52 N -1.83 6.72 0.00 2.29 -0.87 -1.26 -4.59 114.94 115.40 2h1o s ASN 52 Ca 0.53 2.51 0.00 0.00 -1.57 0.00 0.00 52.86 54.33 2h1o s ASN 52 Cb -0.15 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.48 2h1o s ASN 52 CO 0.20 -0.70 0.00 0.61 -2.57 0.00 0.00 177.10 174.64 2h1o n GLY 53 N 3.08 -2.06 0.40 0.66 0.00 -1.26 -5.01 105.19 101.00 2h1o n GLY 53 Ca 0.10 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 2h1o n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h1o h LYS 54 N 0.00 -0.56 -0.55 1.61 1.79 -2.00 -2.57 116.57 114.30 2h1o h LYS 54 Ca 0.00 0.04 0.07 0.00 -2.18 0.00 0.00 60.65 58.58 2h1o h LYS 54 Cb 0.00 0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 30.68 2h1o h LYS 54 CO 0.00 -0.37 -0.52 -0.22 -1.08 0.00 0.00 179.45 177.26 2h1o h LYS 55 N -0.58 -0.28 -0.32 3.15 3.64 -1.95 -0.23 116.57 120.00 2h1o h LYS 55 Ca 0.04 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.52 2h1o h LYS 55 Cb 0.65 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.45 2h1o h LYS 55 CO -0.30 -0.19 -0.25 -0.22 -2.27 0.00 0.00 179.45 176.23 2h1o h LYS 56 N -0.29 -0.21 0.06 1.90 3.64 -1.78 -0.43 116.57 119.46 2h1o h LYS 56 Ca 0.12 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2h1o h LYS 56 Cb 0.56 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 2h1o h LYS 56 CO -0.68 -0.14 -0.24 -0.91 -2.27 0.00 0.00 179.45 175.21 2h1o h ASN 57 N -0.22 -0.71 0.19 4.20 -0.26 -0.84 0.42 115.58 118.35 2h1o h ASN 57 Ca 0.16 0.09 0.01 0.00 -0.56 0.00 0.00 56.30 56.00 2h1o h ASN 57 Cb 0.48 0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 37.98 2h1o h ASN 57 CO -0.45 -0.32 -0.35 0.58 -1.06 0.00 0.00 177.43 175.83 2h1o h VAL 58 N -0.42 0.28 -0.92 2.81 2.07 -0.75 -1.87 116.25 117.45 2h1o h VAL 58 Ca 0.04 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.74 2h1o h VAL 58 Cb 0.47 0.28 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 2h1o h VAL 58 CO -0.18 0.00 0.59 0.25 0.02 0.00 0.00 177.57 178.26 2h1o h LEU 59 N -0.62 0.59 0.17 2.57 5.85 -0.86 -0.40 115.31 122.61 2h1o h LEU 59 Ca 0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2h1o h LEU 59 Cb 0.62 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2h1o h LEU 59 CO -0.16 0.26 -0.08 -0.74 -0.34 0.00 0.00 178.44 177.38 2h1o h HIS 60 N 0.60 -0.21 0.28 1.25 2.76 -0.15 0.70 115.15 120.38 2h1o h HIS 60 Ca 0.48 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.65 2h1o h HIS 60 Cb 0.93 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.94 2h1o h HIS 60 CO -0.00 -0.07 -0.25 1.49 -1.30 0.00 0.00 177.93 177.80 2h1o h GLU 61 N -0.29 -0.53 -0.93 5.26 4.81 -0.58 -0.61 114.58 121.70 2h1o h GLU 61 Ca -0.02 0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.46 2h1o h GLU 61 Cb 0.23 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.61 2h1o h GLU 61 CO 0.04 -0.35 0.48 0.00 -0.73 0.00 0.00 179.01 178.45 2h1o h ARG 62 N -0.55 0.50 -0.11 1.92 2.47 -0.97 0.81 114.38 118.45 2h1o h ARG 62 Ca -0.01 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2h1o h ARG 62 Cb 0.50 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2h1o h ARG 62 CO -0.03 0.33 0.03 0.52 0.56 0.00 0.00 179.97 181.37 2h1o h MET 63 N 0.51 0.17 0.09 0.04 2.86 0.23 0.85 114.93 119.68 2h1o h MET 63 Ca 0.58 -0.04 -0.30 0.00 -2.06 0.00 0.00 59.70 57.87 2h1o h MET 63 Cb 1.06 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 2h1o h MET 63 CO -0.48 0.34 -1.57 0.93 1.06 0.00 0.00 176.91 177.18 2h1o h GLU 64 N -0.03 0.20 0.00 1.72 4.39 -0.26 -2.56 114.58 118.04 2h1o h GLU 64 Ca 0.03 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2h1o h GLU 64 Cb 0.24 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2h1o h GLU 64 CO -0.00 1.02 -0.93 1.04 -1.16 0.00 0.00 179.01 178.98 2h1o n GLN 65 N -3.39 0.38 0.07 2.33 1.13 0.27 -4.37 117.38 113.80 2h1o n GLN 65 Ca -0.17 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 2h1o n GLN 65 Cb 1.04 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.71 2h1o n GLN 65 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2h1o n SER 66 N -2.20 0.87 0.00 1.08 7.64 -0.21 -4.85 113.62 115.95 2h1o n SER 66 Ca 0.02 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2h1o n SER 66 Cb 0.47 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2h1o n SER 66 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2h1o n ILE 67 N -3.49 0.00 -0.25 0.44 2.08 0.12 -3.83 119.36 114.43 2h1o n ILE 67 Ca 0.00 0.60 0.14 0.00 0.56 0.00 0.00 62.75 64.05 2h1o n ILE 67 Cb 0.00 -1.49 0.27 0.00 -0.75 0.00 0.00 39.64 37.67 2h1o n ILE 67 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2h1o n LEU 68 N -0.17 -0.00 0.14 1.39 4.77 -0.97 0.39 117.00 122.55 2h1o n LEU 68 Ca 0.00 1.27 0.17 0.00 -0.03 0.00 0.00 56.01 57.41 2h1o n LEU 68 Cb 0.00 -0.50 0.75 0.00 -2.33 0.00 0.00 43.42 41.34 2h1o n LEU 68 CO 0.00 -1.31 1.15 -0.65 -1.33 0.00 0.00 177.39 175.25 2h1o h PRO 69 N 0.00 0.00 0.00 3.23 0.11 -1.76 0.52 132.00 134.09 2h1o h PRO 69 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2h1o h PRO 69 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2h1o h PRO 69 CO -0.67 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.05 2h1o h LEU 70 N 0.00 0.00 -2.31 2.35 3.38 -0.17 -2.33 115.31 116.24 2h1o h LEU 70 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2h1o h LEU 70 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2h1o h LEU 70 CO -0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 2h1o n PHE 71 N -2.81 0.36 -1.46 1.13 3.01 0.18 -4.89 117.46 112.97 2h1o n PHE 71 Ca -0.00 -0.29 -0.44 0.00 1.01 0.00 0.00 57.45 57.73 2h1o n PHE 71 Cb 0.20 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.65 2h1o n PHE 71 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h1o n ALA 72 N 0.84 -1.68 0.00 4.37 0.00 -0.88 0.76 120.51 123.93 2h1o n ALA 72 Ca 0.13 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2h1o n ALA 72 Cb 0.44 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2h1o n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h1o n GLY 73 N 1.74 1.78 0.09 0.00 0.00 -1.26 -4.71 105.19 102.83 2h1o n GLY 73 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 2h1o n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1o n ARG 74 N -1.93 2.04 -3.24 1.61 1.74 0.23 -4.93 116.66 112.17 2h1o n ARG 74 Ca 0.00 -2.17 -0.43 0.00 -0.77 0.00 0.00 57.85 54.48 2h1o n ARG 74 Cb 0.00 -1.32 -0.08 0.00 -1.02 0.00 0.00 32.46 30.04 2h1o n ARG 74 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2h1o s ILE 75 N -2.12 4.99 0.02 0.55 1.01 -1.14 -1.89 121.20 122.62 2h1o s ILE 75 Ca 0.20 -0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 2h1o s ILE 75 Cb 0.17 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2h1o s ILE 75 CO 0.02 -0.56 1.07 -0.76 0.00 0.00 0.00 174.94 174.71 2h1o s LEU 76 N 2.36 4.36 0.55 2.97 1.43 0.40 -4.72 118.68 126.03 2h1o s LEU 76 Ca 0.14 1.80 -0.07 0.00 -1.03 0.00 0.00 54.13 54.97 2h1o s LEU 76 Cb -0.17 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 2h1o s LEU 76 CO 0.14 -0.36 0.88 -2.16 0.23 0.00 0.00 176.35 175.08 2h1o s PRO 77 N 1.11 3.39 -0.91 1.29 0.04 -1.26 0.17 135.00 138.83 2h1o s PRO 77 Ca 0.55 0.29 -0.09 0.00 0.04 0.00 0.00 61.00 61.79 2h1o s PRO 77 Cb -0.24 -2.27 0.23 0.00 0.04 0.00 0.00 34.50 32.26 2h1o s PRO 77 CO 0.28 -0.43 0.85 0.12 0.04 0.00 0.00 177.00 177.85 2h1o s PHE 78 N -2.92 3.91 0.61 0.56 5.36 -1.26 -4.86 117.98 119.38 2h1o s PHE 78 Ca 0.51 -2.49 0.01 0.00 -0.96 0.00 0.00 56.93 54.00 2h1o s PHE 78 Cb -0.11 -3.66 0.07 0.00 -0.34 0.00 0.00 43.02 38.99 2h1o s PHE 78 CO 0.47 -0.92 0.85 0.16 -1.46 0.00 0.00 175.22 174.32 2h1o s ASP 79 N 1.32 4.96 0.27 6.13 1.47 -1.26 -4.93 116.67 124.63 2h1o s ASP 79 Ca 0.24 -0.17 -0.08 0.00 1.18 0.00 0.00 52.55 53.71 2h1o s ASP 79 Cb -0.11 -0.53 0.45 0.00 -0.34 0.00 0.00 42.92 42.39 2h1o s ASP 79 CO -0.08 -1.39 1.58 -0.08 0.68 0.00 0.00 175.17 175.88 2h1o h GLU 80 N -0.12 0.01 -0.26 2.11 4.22 -2.00 -1.51 114.58 117.03 2h1o h GLU 80 Ca -0.39 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.04 2h1o h GLU 80 Cb 1.29 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2h1o h GLU 80 CO 0.48 0.01 0.16 -1.35 -2.18 0.00 0.00 179.01 176.12 2h1o h PRO 81 N 0.01 0.36 -0.83 0.92 0.11 -2.01 -1.84 132.00 128.71 2h1o h PRO 81 Ca 0.45 -0.03 0.20 0.00 0.11 0.00 0.00 66.00 66.73 2h1o h PRO 81 Cb 0.73 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.72 2h1o h PRO 81 CO -0.91 0.28 0.57 0.28 -0.21 0.00 0.00 178.00 178.00 2h1o h VAL 82 N 0.33 0.67 -0.92 3.15 2.07 -1.66 0.16 116.25 120.04 2h1o h VAL 82 Ca 0.09 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.56 2h1o h VAL 82 Cb 0.01 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 2h1o h VAL 82 CO -0.02 0.05 0.61 0.00 0.02 0.00 0.00 177.57 178.23 2h1o h ALA 83 N 1.62 1.41 0.64 1.67 0.00 -0.95 -0.31 119.26 123.33 2h1o h ALA 83 Ca 0.42 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2h1o h ALA 83 Cb 1.23 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2h1o h ALA 83 CO -0.11 0.51 -0.33 0.00 0.00 0.00 0.00 179.25 179.32 2h1o h ALA 84 N 1.46 -0.89 -0.42 0.00 0.00 -0.97 -1.17 119.26 117.26 2h1o h ALA 84 Ca 0.36 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2h1o h ALA 84 Cb 0.00 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 2h1o h ALA 84 CO -0.11 -1.00 -0.34 0.82 0.00 0.00 0.00 179.25 178.61 2h1o h ILE 85 N -0.89 0.20 -0.80 0.00 1.08 -1.46 -1.71 117.51 113.93 2h1o h ILE 85 Ca -0.09 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.46 2h1o h ILE 85 Cb 0.69 0.20 -0.11 0.00 -3.07 0.00 0.00 36.82 34.53 2h1o h ILE 85 CO 0.13 0.00 -0.58 0.22 -0.69 0.00 0.00 178.15 177.23 2h1o h TYR 86 N -0.25 -1.84 -0.84 1.37 3.20 -0.72 0.31 116.97 118.21 2h1o h TYR 86 Ca 0.17 0.11 0.17 0.00 3.14 0.00 0.00 58.73 62.33 2h1o h TYR 86 Cb 0.55 0.91 -0.06 0.00 1.54 0.00 0.00 36.73 39.66 2h1o h TYR 86 CO -0.56 -0.41 0.56 0.00 -1.64 0.00 0.00 178.16 176.10 2h1o h ALA 87 N 0.32 2.13 0.11 1.82 0.00 -0.33 -1.74 119.26 121.58 2h1o h ALA 87 Ca 0.13 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.76 2h1o h ALA 87 Cb 0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2h1o h ALA 87 CO -0.82 -0.38 -1.39 -0.56 0.00 0.00 0.00 179.25 176.09 2h1o h GLN 88 N 0.44 0.23 -0.69 0.00 -0.00 -0.07 -2.68 115.11 112.34 2h1o h GLN 88 Ca 0.42 -0.40 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 2h1o h GLN 88 Cb 0.99 0.15 -0.03 0.00 -0.00 0.00 0.00 27.48 28.59 2h1o h GLN 88 CO -0.15 1.13 0.36 0.82 -0.00 0.00 0.00 178.83 180.98 2h1o h ILE 89 N 0.06 1.22 -0.09 1.86 1.08 0.29 -1.68 117.51 120.25 2h1o h ILE 89 Ca -0.19 -0.58 -0.16 0.00 -0.39 0.00 0.00 64.86 63.55 2h1o h ILE 89 Cb 1.98 0.34 0.01 0.00 -3.07 0.00 0.00 36.82 36.08 2h1o h ILE 89 CO 0.17 0.25 -0.56 0.03 -0.69 0.00 0.00 178.15 177.36 2h1o h ARG 90 N 0.95 0.54 0.01 2.37 3.08 -1.47 -2.97 114.38 116.89 2h1o h ARG 90 Ca 0.24 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.84 2h1o h ARG 90 Cb 0.07 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2h1o h ARG 90 CO -0.04 1.09 -0.03 0.66 -1.07 0.00 0.00 179.97 180.58 2h1o h SER 91 N 0.13 -0.07 -0.12 7.04 4.64 -1.44 -1.65 113.55 122.08 2h1o h SER 91 Ca -0.04 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.32 2h1o h SER 91 Cb 1.21 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2h1o h SER 91 CO 0.11 -0.04 0.09 0.22 -0.87 0.00 0.00 176.83 176.34 2h1o h TYR 92 N -0.05 0.00 -0.03 4.77 3.20 -1.39 -1.85 116.97 121.61 2h1o h TYR 92 Ca 0.01 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.65 2h1o h TYR 92 Cb 0.06 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.35 2h1o h TYR 92 CO -0.10 0.00 -0.87 0.00 -1.64 0.00 0.00 178.16 175.55 2h1o h ALA 93 N 1.94 0.15 -0.32 1.82 0.00 -1.25 -3.25 119.26 118.34 2h1o h ALA 93 Ca 0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 2h1o h ALA 93 Cb 0.23 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2h1o h ALA 93 CO -0.00 0.59 0.02 -0.22 0.00 0.00 0.00 179.25 179.64 2h1o h LYS 94 N 0.29 0.48 -0.91 0.00 1.63 -0.52 -1.60 116.57 115.95 2h1o h LYS 94 Ca -0.10 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.58 2h1o h LYS 94 Cb 1.53 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 33.07 2h1o h LYS 94 CO 0.17 0.50 0.03 0.25 -3.45 0.00 0.00 179.45 176.95 2h1o n THR 95 N -4.31 0.92 -2.22 1.00 -2.24 -0.90 -2.73 114.28 103.80 2h1o n THR 95 Ca 0.01 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2h1o n THR 95 Cb 0.22 -0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 67.93 2h1o n THR 95 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2h1o n HIS 96 N 0.15 0.00 0.00 4.78 8.25 -0.62 -5.05 115.22 122.73 2h1o n HIS 96 Ca 0.09 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 2h1o n HIS 96 Cb 0.57 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.74 2h1o n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2h1o n GLY 97 N 0.22 0.87 3.54 -1.41 0.00 -1.10 -4.86 105.19 102.44 2h1o n GLY 97 Ca -0.04 -0.01 -0.54 0.00 0.00 0.00 0.00 46.02 45.44 2h1o n GLY 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2h1o n LYS 98 N 0.00 1.08 -3.51 1.61 3.00 -1.22 -4.70 118.16 114.42 2h1o n LYS 98 Ca 0.00 0.35 -0.32 0.00 -0.00 0.00 0.00 58.31 58.34 2h1o n LYS 98 Cb 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 35.03 32.72 2h1o n LYS 98 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2h1o s GLU 99 N 5.10 3.74 -0.05 1.64 1.03 -1.26 -3.67 118.70 125.23 2h1o s GLU 99 Ca 1.05 0.15 0.05 0.00 0.03 0.00 0.00 54.97 56.26 2h1o s GLU 99 Cb -0.98 -2.72 -0.01 0.00 -0.80 0.00 0.00 34.13 29.62 2h1o s GLU 99 CO 0.57 0.37 -0.22 0.42 -1.33 0.00 0.00 175.26 175.07 2h1o s ILE 100 N -1.76 1.79 0.46 1.83 1.01 -1.26 -4.97 121.20 118.30 2h1o s ILE 100 Ca 0.45 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 2h1o s ILE 100 Cb -0.12 -1.52 -0.08 0.00 0.01 0.00 0.00 42.46 40.76 2h1o s ILE 100 CO 0.22 0.50 0.89 0.00 0.00 0.00 0.00 174.94 176.56 2h1o s ALA 101 N -0.11 3.18 0.10 9.38 0.00 -1.26 -4.85 121.76 128.20 2h1o s ALA 101 Ca -0.03 0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.74 2h1o s ALA 101 Cb -0.13 -2.95 -0.07 0.00 0.00 0.00 0.00 23.12 19.97 2h1o s ALA 101 CO 0.03 -0.11 1.40 0.00 0.00 0.00 0.00 175.76 177.08 2h1o h ALA 102 N 1.16 -0.59 -0.65 0.00 0.00 -2.00 0.25 119.26 117.43 2h1o h ALA 102 Ca -0.47 0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.58 2h1o h ALA 102 Cb 1.18 1.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.94 2h1o h ALA 102 CO 0.62 -0.82 -0.32 0.00 0.00 0.00 0.00 179.25 178.74 2h1o h ALA 103 N -0.25 0.06 -0.24 0.00 0.00 -2.00 0.71 119.26 117.55 2h1o h ALA 103 Ca 0.07 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2h1o h ALA 103 Cb 0.40 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2h1o h ALA 103 CO -0.51 -0.63 0.10 -0.44 0.00 0.00 0.00 179.25 177.77 2h1o h ASP 104 N -0.12 0.29 -0.34 0.00 3.45 -1.74 -2.20 116.42 115.77 2h1o h ASP 104 Ca 0.26 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.63 2h1o h ASP 104 Cb 0.55 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 2h1o h ASP 104 CO -0.72 0.27 -0.06 1.23 -1.57 0.00 0.00 179.24 178.39 2h1o h GLY 105 N 0.45 0.69 0.56 2.75 0.00 0.38 0.38 103.07 108.28 2h1o h GLY 105 Ca 0.09 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2h1o h GLY 105 CO -0.01 0.51 -0.46 -0.97 0.00 0.00 0.00 176.54 175.60 2h1o h TYR 106 N 0.42 -1.27 -0.05 5.60 0.99 -0.22 0.84 116.97 123.27 2h1o h TYR 106 Ca 0.09 0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.86 2h1o h TYR 106 Cb 0.55 0.49 -0.05 0.00 1.00 0.00 0.00 36.73 38.72 2h1o h TYR 106 CO 0.05 -0.63 -0.23 0.82 -0.00 0.00 0.00 178.16 178.16 2h1o h ILE 107 N -0.95 0.45 0.39 -2.88 5.03 -1.41 0.22 117.51 118.36 2h1o h ILE 107 Ca -0.05 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.68 2h1o h ILE 107 Cb 0.83 0.45 -0.02 0.00 -3.03 0.00 0.00 36.82 35.04 2h1o h ILE 107 CO -0.06 0.00 -0.43 0.00 -0.68 0.00 0.00 178.15 176.98 2h1o h ALA 108 N 0.56 -1.08 -0.91 1.87 0.00 -0.69 -0.83 119.26 118.19 2h1o h ALA 108 Ca 0.08 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.01 2h1o h ALA 108 Cb 0.45 0.68 -0.17 0.00 0.00 0.00 0.00 17.79 18.74 2h1o h ALA 108 CO -0.25 -1.11 -0.24 0.00 0.00 0.00 0.00 179.25 177.66 2h1o h ALA 109 N -1.01 0.58 0.33 0.00 0.00 0.95 0.23 119.26 120.34 2h1o h ALA 109 Ca -0.05 0.35 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2h1o h ALA 109 Cb 0.73 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 2h1o h ALA 109 CO -0.07 -0.40 -0.35 1.15 0.00 0.00 0.00 179.25 179.57 2h1o h THR 110 N -0.00 0.27 -0.25 0.00 2.02 -0.45 -2.26 112.91 112.24 2h1o h THR 110 Ca 0.43 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.67 2h1o h THR 110 Cb 0.66 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.27 2h1o h THR 110 CO -0.94 0.00 -0.35 0.00 0.37 0.00 0.00 175.52 174.60 2h1o h ALA 111 N -0.25 -0.34 -0.34 6.16 0.00 0.67 -2.76 119.26 122.41 2h1o h ALA 111 Ca -0.02 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2h1o h ALA 111 Cb 0.66 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 2h1o h ALA 111 CO -0.08 -0.80 -0.28 -0.22 0.00 0.00 0.00 179.25 177.88 2h1o h LYS 112 N -0.35 -0.23 -0.32 0.00 3.64 -0.39 -0.99 116.57 117.93 2h1o h LYS 112 Ca 0.12 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 2h1o h LYS 112 Cb 0.56 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.35 2h1o h LYS 112 CO -0.45 -0.16 -0.44 0.37 -2.27 0.00 0.00 179.45 176.51 2h1o h GLN 113 N -0.24 -0.37 -0.22 1.90 4.15 -1.12 0.67 115.11 119.87 2h1o h GLN 113 Ca 0.16 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.61 2h1o h GLN 113 Cb 0.50 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.28 2h1o h GLN 113 CO -0.47 -0.25 0.00 0.72 -1.93 0.00 0.00 178.83 176.90 2h1o n HIS 114 N -5.42 0.00 -3.79 3.99 8.25 -1.00 -4.87 115.22 112.37 2h1o n HIS 114 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 2h1o n HIS 114 Cb 0.35 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.47 2h1o n HIS 114 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2h1o n SER 115 N -0.34 -5.04 -4.21 0.41 2.88 0.23 -4.90 113.62 102.65 2h1o n SER 115 Ca 0.00 -1.05 -0.24 0.00 -1.33 0.00 0.00 58.87 56.26 2h1o n SER 115 Cb 0.06 -2.68 -0.03 0.00 -0.75 0.00 0.00 64.21 60.81 2h1o n SER 115 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2h1o n MET 116 N -4.09 0.93 -5.05 -1.46 2.81 -0.48 -4.59 117.12 105.18 2h1o n MET 116 Ca -0.13 -2.87 -0.32 0.00 -1.81 0.00 0.00 57.70 52.57 2h1o n MET 116 Cb 0.59 0.55 -0.16 0.00 -0.71 0.00 0.00 33.22 33.49 2h1o n MET 116 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2h1o s THR 117 N -2.33 2.46 -0.10 2.03 2.01 -1.06 -4.33 115.64 114.31 2h1o s THR 117 Ca 0.12 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 2h1o s THR 117 Cb -0.01 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2h1o s THR 117 CO 0.08 0.55 0.58 -0.69 -0.69 0.00 0.00 174.62 174.45 2h1o s VAL 118 N 0.23 5.12 -0.45 3.82 1.01 0.32 -1.28 120.40 129.17 2h1o s VAL 118 Ca -0.13 1.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.91 2h1o s VAL 118 Cb -0.16 -3.92 0.09 0.00 0.00 0.00 0.00 36.38 32.39 2h1o s VAL 118 CO 0.07 0.28 0.33 0.00 0.00 0.00 0.00 175.10 175.78 2h1o s ALA 119 N 0.81 3.41 0.21 5.51 0.00 -0.62 -0.81 121.76 130.27 2h1o s ALA 119 Ca 0.31 -2.26 0.00 0.00 0.00 0.00 0.00 51.96 50.01 2h1o s ALA 119 Cb -0.16 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2h1o s ALA 119 CO 0.14 -1.76 0.10 -0.08 0.00 0.00 0.00 175.76 174.15 2h1o s THR 120 N 1.48 0.28 -0.32 0.00 -1.32 -0.89 -2.80 115.64 112.07 2h1o s THR 120 Ca 0.04 -1.99 0.23 0.00 -1.21 0.00 0.00 61.69 58.76 2h1o s THR 120 Cb -0.25 -2.46 -0.11 0.00 -1.51 0.00 0.00 72.50 68.18 2h1o s THR 120 CO 0.03 -0.11 0.92 -1.14 -2.21 0.00 0.00 174.62 172.11 2h1o n ARG 121 N -0.32 0.51 -2.98 7.08 0.63 -1.26 -3.90 116.66 116.43 2h1o n ARG 121 Ca -0.00 0.01 -0.33 0.00 -0.92 0.00 0.00 57.85 56.61 2h1o n ARG 121 Cb 0.66 -1.68 -0.03 0.00 0.45 0.00 0.00 32.46 31.86 2h1o n ARG 121 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2h1o n ASP 122 N -2.34 5.33 0.24 6.15 10.43 -1.26 -4.78 116.55 130.32 2h1o n ASP 122 Ca -0.00 -3.60 0.16 0.00 2.57 0.00 0.00 54.79 53.92 2h1o n ASP 122 Cb 0.52 -0.84 0.84 0.00 1.84 0.00 0.00 41.12 43.48 2h1o n ASP 122 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 2h1o h THR 123 N 2.89 0.00 -0.98 -3.53 1.35 -1.95 -3.18 112.91 107.52 2h1o h THR 123 Ca 0.26 -0.06 0.21 0.00 -0.55 0.00 0.00 66.41 66.27 2h1o h THR 123 Cb 0.51 0.81 -0.19 0.00 -1.73 0.00 0.00 68.15 67.55 2h1o h THR 123 CO 0.99 0.00 -0.20 0.61 -0.25 0.00 0.00 175.52 176.67 2h1o n GLY 124 N -1.00 -1.59 0.00 5.82 0.00 -1.26 -2.66 105.19 104.51 2h1o n GLY 124 Ca -0.02 1.03 -0.00 0.00 0.00 0.00 0.00 46.02 47.03 2h1o n GLY 124 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2h1o h SER 125 N 0.00 -0.01 -1.31 1.61 0.02 -1.93 -3.38 113.55 108.55 2h1o h SER 125 Ca 0.49 0.00 0.39 0.00 -0.84 0.00 0.00 61.79 61.83 2h1o h SER 125 Cb 0.80 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.28 2h1o h SER 125 CO -0.99 0.01 0.94 0.49 -1.14 0.00 0.00 176.83 176.13 2h1o n PHE 126 N -2.08 0.05 -0.23 3.45 3.01 -1.15 -0.50 117.46 120.01 2h1o n PHE 126 Ca -0.00 0.05 -0.06 0.00 1.01 0.00 0.00 57.45 58.45 2h1o n PHE 126 Cb 0.00 -0.40 0.09 0.00 -0.01 0.00 0.00 39.48 39.16 2h1o n PHE 126 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 2h1o h PHE 127 N 0.00 1.11 0.00 1.38 -0.00 -1.69 -1.50 116.94 116.25 2h1o h PHE 127 Ca 0.64 -0.12 0.00 0.00 -0.00 0.00 0.00 57.97 58.49 2h1o h PHE 127 Cb 2.52 -0.32 0.00 0.00 -0.00 0.00 0.00 35.95 38.15 2h1o h PHE 127 CO -0.00 0.90 0.00 0.00 -0.00 0.00 0.00 178.31 179.21 2h1o n ALA 128 N -2.45 1.38 1.57 12.09 0.00 0.34 -1.54 120.51 131.89 2h1o n ALA 128 Ca 0.05 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.73 2h1o n ALA 128 Cb 0.24 -1.30 0.65 0.00 0.00 0.00 0.00 19.45 19.04 2h1o n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h1o n ALA 129 N -1.71 2.71 -3.29 0.00 0.00 -0.56 -4.57 120.51 113.09 2h1o n ALA 129 Ca 0.01 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 52.94 2h1o n ALA 129 Cb 0.13 -1.31 0.06 0.00 0.00 0.00 0.00 19.45 18.33 2h1o n ALA 129 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h1o n ASP 130 N -0.59 -5.51 -4.13 0.00 8.00 -0.59 -4.92 116.55 108.82 2h1o n ASP 130 Ca 0.18 -0.40 -0.20 0.00 0.71 0.00 0.00 54.79 55.09 2h1o n ASP 130 Cb 0.27 -4.16 -0.13 0.00 -0.02 0.00 0.00 41.12 37.07 2h1o n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2h1o s VAL 131 N -3.22 1.06 0.10 2.53 1.01 -1.25 -5.06 120.40 115.57 2h1o s VAL 131 Ca 0.43 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 2h1o s VAL 131 Cb -0.19 -0.97 -0.08 0.00 0.00 0.00 0.00 36.38 35.14 2h1o s VAL 131 CO 0.53 -0.01 1.47 0.00 0.00 0.00 0.00 175.10 177.09 2h1o s ALA 132 N -0.85 3.64 0.26 5.51 0.00 -1.26 -4.58 121.76 124.48 2h1o s ALA 132 Ca 0.01 1.15 0.09 0.00 0.00 0.00 0.00 51.96 53.21 2h1o s ALA 132 Cb -0.08 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2h1o s ALA 132 CO 0.01 -0.77 -0.14 0.14 0.00 0.00 0.00 175.76 175.00 2h1o s VAL 133 N 1.55 2.01 -0.17 0.00 -7.23 -1.26 -0.52 120.40 114.79 2h1o s VAL 133 Ca 0.67 -2.26 -0.07 0.00 -1.81 0.00 0.00 61.98 58.51 2h1o s VAL 133 Cb -0.38 -2.28 0.07 0.00 0.56 0.00 0.00 36.38 34.35 2h1o s VAL 133 CO 0.30 -0.43 0.38 0.12 -0.31 0.00 0.00 175.10 175.16 2h1o s PHE 134 N -2.79 -0.63 -0.46 2.82 5.36 0.01 -4.89 117.98 117.40 2h1o s PHE 134 Ca 0.27 1.29 -0.19 0.00 -0.96 0.00 0.00 56.93 57.35 2h1o s PHE 134 Cb -0.01 0.21 0.04 0.00 -0.34 0.00 0.00 43.02 42.92 2h1o s PHE 134 CO 0.12 -0.40 0.57 1.21 -1.46 0.00 0.00 175.22 175.27 2h1o s ASN 135 N 2.08 6.24 0.21 6.13 3.84 -1.25 -2.10 114.94 130.09 2h1o s ASN 135 Ca -0.04 -0.70 0.19 0.00 0.21 0.00 0.00 52.86 52.51 2h1o s ASN 135 Cb -0.11 -2.28 0.88 0.00 -0.55 0.00 0.00 41.25 39.19 2h1o s ASN 135 CO -0.12 -0.77 1.59 -0.81 -2.79 0.00 0.00 177.10 174.20 2h1o n PRO 136 N 6.02 0.13 0.06 0.43 -0.04 -1.26 -2.10 135.00 138.25 2h1o n PRO 136 Ca -0.06 0.46 -0.10 0.00 -0.04 0.00 0.00 63.50 63.77 2h1o n PRO 136 Cb 0.47 -1.80 0.02 0.00 -0.04 0.00 0.00 33.50 32.14 2h1o n PRO 136 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2h1o h TRP 137 N 0.00 0.49 -2.29 0.54 6.55 -1.90 -3.36 115.95 115.97 2h1o h TRP 137 Ca 0.00 -0.23 -0.03 0.00 0.95 0.00 0.00 58.89 59.58 2h1o h TRP 137 Cb 0.21 -0.07 0.01 0.00 -0.86 0.00 0.00 29.16 28.45 2h1o h TRP 137 CO 0.00 1.00 0.02 0.72 -1.05 0.00 0.00 178.44 179.13 2h1o n HIS 138 N -3.79 -3.91 -3.62 0.49 8.25 -0.89 -4.94 115.22 106.80 2h1o n HIS 138 Ca -0.04 -0.07 -0.16 0.00 -0.26 0.00 0.00 57.72 57.18 2h1o n HIS 138 Cb 0.74 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.80 2h1o n HIS 138 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2h1o n LEU 139 N 0.00 0.00 -4.10 2.41 4.77 -1.26 -5.00 117.00 113.81 2h1o n LEU 139 Ca 0.01 -1.81 -0.25 0.00 -0.03 0.00 0.00 56.01 53.93 2h1o n LEU 139 Cb 0.03 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 40.89 2h1o n LEU 139 CO 0.02 -0.50 -0.49 -1.61 -1.33 0.00 0.00 177.39 173.49 2h1o s GLU 140 N -3.50 1.66 0.00 3.23 2.02 -1.26 -5.02 118.70 115.84 2h1o s GLU 140 Ca 0.23 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.68 2h1o s GLU 140 Cb -0.02 -1.44 0.00 0.00 0.10 0.00 0.00 34.13 32.77 2h1o s GLU 140 CO 0.15 0.20 0.00 0.72 0.02 0.00 0.00 175.26 176.35 2h1o n HIS 141 N 3.24 0.00 -2.33 1.61 8.25 -1.26 -5.16 115.22 119.58 2h1o n HIS 141 Ca -0.19 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.03 2h1o n HIS 141 Cb 0.53 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.70 2h1o n HIS 141 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2h1o s HIS 142 N 2.72 2.82 0.00 4.41 3.76 -1.26 -5.37 115.29 122.37 2h1o s HIS 142 Ca 0.00 0.29 0.00 0.00 -0.15 0.00 0.00 55.06 55.20 2h1o s HIS 142 Cb 0.00 -3.09 0.00 0.00 1.11 0.00 0.00 32.58 30.60 2h1o s HIS 142 CO 0.00 -1.30 0.30 0.72 -0.85 0.00 0.00 174.74 173.61