#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hra n TYR 4 N 0.00 1.78 -2.77 -1.42 4.01 -1.26 -4.99 117.16 112.51 3hra n TYR 4 Ca 0.00 0.44 -0.32 0.00 -0.16 0.00 0.00 57.90 57.86 3hra n TYR 4 Cb 0.00 -2.28 -0.05 0.00 -0.31 0.00 0.00 39.34 36.70 3hra n TYR 4 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3hra s GLU 5 N -2.82 4.02 0.17 -0.72 2.02 -1.26 -4.99 118.70 115.12 3hra s GLU 5 Ca 0.73 0.86 -0.33 0.00 0.02 0.00 0.00 54.97 56.25 3hra s GLU 5 Cb -0.43 -2.26 -0.14 0.00 0.10 0.00 0.00 34.13 31.40 3hra s GLU 5 CO 0.48 -0.06 1.46 0.28 0.02 0.00 0.00 175.26 177.44 3hra n VAL 6 N -0.97 0.34 0.00 2.63 0.31 -1.26 -2.19 118.33 117.20 3hra n VAL 6 Ca 0.05 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3hra n VAL 6 Cb 0.54 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 3hra n VAL 6 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hra n GLY 7 N 2.81 1.65 0.23 2.92 0.00 -1.26 -4.97 105.19 106.57 3hra n GLY 7 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 3hra n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hra h ALA 8 N 0.00 0.78 -0.09 4.61 0.00 -1.83 -0.73 119.26 121.99 3hra h ALA 8 Ca 0.00 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 3hra h ALA 8 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hra h ALA 8 CO 0.00 -0.11 -0.82 1.25 0.00 0.00 0.00 179.25 179.57 3hra h LEU 9 N 0.50 0.76 -0.64 0.00 5.85 -1.93 -1.51 115.31 118.33 3hra h LEU 9 Ca 0.29 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 58.51 3hra h LEU 9 Cb 0.28 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3hra h LEU 9 CO -0.24 1.30 0.40 -0.07 -0.34 0.00 0.00 178.44 179.50 3hra h LEU 10 N 0.41 0.66 -0.43 2.25 3.38 -1.87 -0.88 115.31 118.83 3hra h LEU 10 Ca -0.06 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3hra h LEU 10 Cb 1.43 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 3hra h LEU 10 CO 0.16 0.47 0.16 -0.08 0.09 0.00 0.00 178.44 179.23 3hra h GLU 11 N 0.79 0.66 -0.95 1.13 4.81 -0.96 -0.13 114.58 119.93 3hra h GLU 11 Ca 0.25 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3hra h GLU 11 Cb -0.00 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 3hra h GLU 11 CO -0.09 0.62 0.63 0.00 -0.73 0.00 0.00 179.01 179.43 3hra h ALA 12 N 1.01 1.22 -0.36 2.92 0.00 -1.07 -1.30 119.26 121.67 3hra h ALA 12 Ca 0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3hra h ALA 12 Cb 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hra h ALA 12 CO -0.01 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.77 3hra h ALA 13 N 1.36 0.49 -0.60 0.00 0.00 -0.85 -1.61 119.26 118.06 3hra h ALA 13 Ca 0.35 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hra h ALA 13 Cb -0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3hra h ALA 13 CO -0.09 0.30 0.40 -0.91 0.00 0.00 0.00 179.25 178.95 3hra h ASN 14 N 0.47 0.67 -0.06 0.00 -0.26 -0.83 -1.39 115.58 114.18 3hra h ASN 14 Ca 0.10 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 3hra h ASN 14 Cb 0.52 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 3hra h ASN 14 CO 0.03 0.48 0.00 0.00 -1.06 0.00 0.00 177.43 176.88 3hra n GLN 15 N -4.45 1.29 -2.77 0.81 6.02 -0.51 -4.91 117.38 112.86 3hra n GLN 15 Ca 0.06 -0.43 -0.21 0.00 -0.01 0.00 0.00 57.00 56.42 3hra n GLN 15 Cb 0.06 -1.35 0.01 0.00 1.02 0.00 0.00 30.24 29.99 3hra n GLN 15 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hra n ARG 16 N -0.37 -3.31 -3.37 -1.09 5.12 -0.52 -4.89 116.66 108.23 3hra n ARG 16 Ca 0.15 0.86 -0.45 0.00 -1.93 0.00 0.00 57.85 56.48 3hra n ARG 16 Cb 0.17 -5.61 -0.02 0.00 -1.16 0.00 0.00 32.46 25.84 3hra n ARG 16 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3hra s ASP 17 N -2.40 6.76 0.19 0.55 -1.08 -0.64 -4.91 116.67 115.15 3hra s ASP 17 Ca 0.17 -2.95 -0.12 0.00 -0.52 0.00 0.00 52.55 49.14 3hra s ASP 17 Cb -0.08 -2.18 0.16 0.00 -1.46 0.00 0.00 42.92 39.37 3hra s ASP 17 CO 0.21 -0.48 1.80 0.74 0.52 0.00 0.00 175.17 177.97 3hra h THR 18 N 4.53 0.99 -0.58 1.71 2.02 -1.90 -0.83 112.91 118.86 3hra h THR 18 Ca 0.12 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 3hra h THR 18 Cb 0.99 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3hra h THR 18 CO 0.81 0.11 0.16 0.11 0.37 0.00 0.00 175.52 177.08 3hra h LYS 19 N 0.60 0.91 -0.73 6.66 1.57 -1.98 -1.70 116.57 121.92 3hra h LYS 19 Ca 0.25 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3hra h LYS 19 Cb 0.12 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3hra h LYS 19 CO -0.15 0.84 0.28 -0.22 -0.57 0.00 0.00 179.45 179.63 3hra h LYS 20 N 0.82 1.09 -0.33 3.15 1.63 -1.85 -0.93 116.57 120.15 3hra h LYS 20 Ca 0.18 -0.20 0.06 0.00 -0.85 0.00 0.00 60.65 59.84 3hra h LYS 20 Cb 0.32 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 3hra h LYS 20 CO -0.00 0.90 0.02 0.28 -3.45 0.00 0.00 179.45 177.20 3hra h VAL 21 N 1.05 0.78 -0.36 2.00 2.07 -0.90 -1.37 116.25 119.52 3hra h VAL 21 Ca 0.24 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.62 3hra h VAL 21 Cb 0.22 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3hra h VAL 21 CO -0.02 0.02 -0.20 0.11 0.02 0.00 0.00 177.57 177.50 3hra h LYS 22 N 0.12 0.68 -0.19 1.57 1.57 -1.08 -1.35 116.57 117.90 3hra h LYS 22 Ca 0.16 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3hra h LYS 22 Cb 0.21 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3hra h LYS 22 CO -0.25 0.84 -0.01 1.49 -0.57 0.00 0.00 179.45 180.95 3hra h GLU 23 N 0.61 0.05 -0.60 3.15 4.81 -0.92 -2.69 114.58 118.99 3hra h GLU 23 Ca 0.09 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 3hra h GLU 23 Cb 0.67 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3hra h GLU 23 CO 0.05 0.03 0.03 0.82 -0.73 0.00 0.00 179.01 179.21 3hra h ILE 24 N 0.05 1.26 0.00 2.32 2.04 -0.88 -2.83 117.51 119.47 3hra h ILE 24 Ca 0.09 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3hra h ILE 24 Cb 0.11 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3hra h ILE 24 CO -0.16 0.40 0.00 -0.07 0.00 0.00 0.00 178.15 178.32 3hra h LEU 25 N 0.94 0.00 -1.68 1.44 3.38 -1.06 -1.48 115.31 116.86 3hra h LEU 25 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3hra h LEU 25 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hra h LEU 25 CO 0.02 0.00 -0.05 -0.61 0.09 0.00 0.00 178.44 177.90 3hra h GLN 26 N 0.00 0.00 -6.50 1.13 -0.00 -1.22 -3.40 115.11 105.13 3hra h GLN 26 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 58.09 3hra h GLN 26 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.75 3hra h GLN 26 CO 0.00 0.05 1.06 0.34 0.00 0.00 0.00 178.83 180.28 3hra s ASP 27 N -5.75 6.28 0.31 -0.69 2.15 -0.56 -4.89 116.67 113.53 3hra s ASP 27 Ca -0.00 0.49 0.25 0.00 0.43 0.00 0.00 52.55 53.71 3hra s ASP 27 Cb 0.10 -2.54 1.11 0.00 -0.30 0.00 0.00 42.92 41.28 3hra s ASP 27 CO 0.54 -1.55 1.75 0.71 -0.17 0.00 0.00 175.17 176.46 3hra h THR 28 N 6.38 0.00 0.00 1.71 1.35 -1.87 -1.99 112.91 118.49 3hra h THR 28 Ca -0.26 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3hra h THR 28 Cb 1.09 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3hra h THR 28 CO 1.14 0.00 -0.56 0.35 -0.25 0.00 0.00 175.52 176.20 3hra n THR 29 N -2.36 0.03 -2.01 6.82 -2.24 -1.26 -4.96 114.28 108.30 3hra n THR 29 Ca 0.01 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3hra n THR 29 Cb 0.19 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 3hra n THR 29 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3hra s TYR 30 N -3.02 3.10 -0.58 4.78 5.04 -0.75 -4.95 117.35 120.98 3hra s TYR 30 Ca 0.10 0.78 -0.25 0.00 -2.44 0.00 0.00 57.07 55.26 3hra s TYR 30 Cb 0.17 -3.85 0.04 0.00 0.35 0.00 0.00 41.96 38.68 3hra s TYR 30 CO 0.71 -3.02 1.02 -1.14 -1.34 0.00 0.00 175.55 171.78 3hra s GLN 31 N 0.87 3.35 0.42 4.97 -0.44 -1.26 -4.91 119.66 122.66 3hra s GLN 31 Ca 0.67 -0.19 0.27 0.00 -2.50 0.00 0.00 55.36 53.61 3hra s GLN 31 Cb -0.42 -4.07 0.87 0.00 -1.64 0.00 0.00 33.01 27.76 3hra s GLN 31 CO 0.33 -1.60 1.78 -0.39 0.50 0.00 0.00 175.29 175.91 3hra h VAL 32 N 6.05 0.00 -0.94 1.34 -1.51 -1.92 -3.23 116.25 116.03 3hra h VAL 32 Ca -0.26 -0.63 -0.57 0.00 -1.23 0.00 0.00 66.70 64.01 3hra h VAL 32 Cb 1.07 1.59 -0.29 0.00 -2.13 0.00 0.00 31.29 31.53 3hra h VAL 32 CO 1.13 0.00 0.64 0.47 -1.23 0.00 0.00 177.57 178.58 3hra n ASP 33 N -2.84 5.48 -4.68 4.19 8.00 -1.26 -4.32 116.55 121.12 3hra n ASP 33 Ca 0.03 -3.71 -0.35 0.00 0.71 0.00 0.00 54.79 51.47 3hra n ASP 33 Cb 0.39 -0.87 0.10 0.00 -0.02 0.00 0.00 41.12 40.73 3hra n ASP 33 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3hra n GLU 34 N -1.03 0.49 -4.31 -1.24 0.28 -1.22 -4.88 120.64 108.73 3hra n GLU 34 Ca 0.59 0.23 -0.24 0.00 -0.16 0.00 0.00 57.16 57.58 3hra n GLU 34 Cb 1.15 -2.40 -0.12 0.00 1.43 0.00 0.00 31.44 31.50 3hra n GLU 34 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 3hra s VAL 35 N -1.87 1.79 0.16 3.84 -7.23 -1.26 -4.03 120.40 111.82 3hra s VAL 35 Ca 0.76 -1.66 -0.00 0.00 -1.81 0.00 0.00 61.98 59.27 3hra s VAL 35 Cb -0.33 -1.67 0.03 0.00 0.56 0.00 0.00 36.38 34.98 3hra s VAL 35 CO 0.48 -0.11 0.23 -0.90 -0.31 0.00 0.00 175.10 174.49 3hra n ASP 36 N 0.87 0.31 0.24 4.85 5.68 -0.62 -4.93 116.55 122.96 3hra n ASP 36 Ca -0.18 -1.26 0.17 0.00 -0.50 0.00 0.00 54.79 53.02 3hra n ASP 36 Cb 0.54 -0.15 0.76 0.00 -1.14 0.00 0.00 41.12 41.14 3hra n ASP 36 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3hra h THR 37 N -0.42 0.00 -0.57 2.12 1.35 -2.02 -1.60 112.91 111.78 3hra h THR 37 Ca -0.07 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3hra h THR 37 Cb 0.28 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3hra h THR 37 CO 0.08 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.73 3hra n GLU 38 N -2.76 2.64 -1.02 4.72 4.71 -1.26 -4.95 120.64 122.73 3hra n GLU 38 Ca -0.00 -2.43 -0.01 0.00 -0.01 0.00 0.00 57.16 54.71 3hra n GLU 38 Cb 0.19 -1.49 -0.00 0.00 -1.01 0.00 0.00 31.44 29.12 3hra n GLU 38 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hra n GLY 39 N 1.38 0.47 3.73 0.62 0.00 -0.60 -0.97 105.19 109.81 3hra n GLY 39 Ca 0.20 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3hra n GLY 39 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hra s ASN 40 N -2.23 7.31 0.69 1.61 0.01 -1.26 -3.93 114.94 117.13 3hra s ASN 40 Ca 0.00 1.57 -0.06 0.00 -0.71 0.00 0.00 52.86 53.66 3hra s ASN 40 Cb 0.00 -2.53 0.06 0.00 0.41 0.00 0.00 41.25 39.19 3hra s ASN 40 CO 0.00 -0.11 0.99 0.42 -1.51 0.00 0.00 177.10 176.90 3hra s THR 41 N 0.39 2.38 0.33 1.60 -4.23 -1.26 -1.58 115.64 113.27 3hra s THR 41 Ca 0.45 -0.28 0.05 0.00 -1.18 0.00 0.00 61.69 60.73 3hra s THR 41 Cb -0.21 -3.03 0.30 0.00 1.34 0.00 0.00 72.50 70.90 3hra s THR 41 CO 0.26 -0.03 1.89 -0.65 -0.54 0.00 0.00 174.62 175.55 3hra h PRO 42 N -0.53 0.80 -0.31 3.99 0.11 -1.75 -1.56 132.00 132.76 3hra h PRO 42 Ca -0.44 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3hra h PRO 42 Cb 1.31 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3hra h PRO 42 CO 0.60 0.53 0.09 1.25 -0.21 0.00 0.00 178.00 180.26 3hra h LEU 43 N 0.83 0.45 -1.26 2.35 5.85 -1.94 -0.98 115.31 120.61 3hra h LEU 43 Ca 0.42 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3hra h LEU 43 Cb 0.49 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3hra h LEU 43 CO -0.18 0.54 0.50 -1.13 -0.34 0.00 0.00 178.44 177.83 3hra h ASN 44 N 0.33 0.86 -0.27 1.25 -0.73 -1.77 -0.66 115.58 114.60 3hra h ASN 44 Ca 0.10 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.23 3hra h ASN 44 Cb 0.25 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 3hra h ASN 44 CO -0.00 0.62 0.11 0.40 -0.37 0.00 0.00 177.43 178.19 3hra h ILE 45 N 1.02 1.18 -0.97 2.57 2.04 -0.87 -1.60 117.51 120.88 3hra h ILE 45 Ca 0.28 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.63 3hra h ILE 45 Cb -0.10 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3hra h ILE 45 CO -0.06 0.18 0.64 0.00 0.00 0.00 0.00 178.15 178.90 3hra h ALA 46 N 0.95 1.35 -0.39 1.87 0.00 -0.58 -0.98 119.26 121.49 3hra h ALA 46 Ca 0.09 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3hra h ALA 46 Cb 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hra h ALA 46 CO -0.01 0.57 -0.09 0.28 0.00 0.00 0.00 179.25 180.00 3hra h VAL 47 N 1.25 1.28 -0.80 0.00 2.07 -0.82 0.03 116.25 119.26 3hra h VAL 47 Ca 0.38 -1.17 0.06 0.00 0.82 0.00 0.00 66.70 66.78 3hra h VAL 47 Cb -0.04 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 3hra h VAL 47 CO -0.11 0.39 0.49 0.45 0.02 0.00 0.00 177.57 178.81 3hra h HIS 48 N 0.56 0.90 0.00 1.57 -0.00 -0.98 -2.37 115.15 114.83 3hra h HIS 48 Ca 0.10 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 3hra h HIS 48 Cb 0.61 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 3hra h HIS 48 CO 0.05 0.46 0.00 0.09 -0.00 0.00 0.00 177.93 178.53 3hra n ASN 49 N -4.66 0.29 -3.86 2.45 3.02 -0.40 -4.93 115.26 107.16 3hra n ASN 49 Ca 0.11 0.53 -0.28 0.00 -0.03 0.00 0.00 54.58 54.91 3hra n ASN 49 Cb 0.16 -0.61 0.03 0.00 -0.61 0.00 0.00 39.78 38.75 3hra n ASN 49 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3hra n ASN 50 N -1.77 -3.64 -4.48 6.41 5.15 -0.14 -4.94 115.26 111.85 3hra n ASN 50 Ca 0.06 -0.80 -0.43 0.00 -0.60 0.00 0.00 54.58 52.81 3hra n ASN 50 Cb 0.35 -3.88 -0.03 0.00 -0.53 0.00 0.00 39.78 35.70 3hra n ASN 50 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3hra s ASP 51 N -3.63 6.57 0.13 1.20 1.01 -0.38 -4.89 116.67 116.68 3hra s ASP 51 Ca 0.46 -1.84 -0.15 0.00 0.71 0.00 0.00 52.55 51.73 3hra s ASP 51 Cb -0.23 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.25 3hra s ASP 51 CO 0.83 -1.19 1.65 0.40 0.21 0.00 0.00 175.17 177.06 3hra h ILE 52 N 6.08 1.22 -0.43 0.77 2.04 -1.92 -1.11 117.51 124.15 3hra h ILE 52 Ca 0.14 -0.73 -0.14 0.00 1.00 0.00 0.00 64.86 65.13 3hra h ILE 52 Cb 1.02 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 3hra h ILE 52 CO 1.19 0.26 -0.27 -0.08 0.00 0.00 0.00 178.15 179.25 3hra h GLU 53 N 0.51 0.93 -0.39 2.37 4.57 -1.99 -0.17 114.58 120.41 3hra h GLU 53 Ca 0.13 -0.42 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 3hra h GLU 53 Cb 0.27 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3hra h GLU 53 CO -0.00 1.08 0.23 0.82 -1.18 0.00 0.00 179.01 179.95 3hra h ILE 54 N 0.79 1.14 -0.46 2.32 2.04 -1.91 -0.61 117.51 120.83 3hra h ILE 54 Ca 0.09 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3hra h ILE 54 Cb 0.84 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3hra h ILE 54 CO 0.07 0.14 0.26 0.00 0.00 0.00 0.00 178.15 178.63 3hra h ALA 55 N 1.09 0.58 -0.56 1.87 0.00 -0.88 -1.28 119.26 120.08 3hra h ALA 55 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hra h ALA 55 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hra h ALA 55 CO -0.02 0.09 0.37 0.87 0.00 0.00 0.00 179.25 180.56 3hra h LYS 56 N 0.60 0.74 -0.93 0.00 1.57 -0.84 -1.33 116.57 116.39 3hra h LYS 56 Ca 0.16 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3hra h LYS 56 Cb 0.03 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 3hra h LYS 56 CO -0.03 0.50 0.60 0.00 -0.57 0.00 0.00 179.45 179.95 3hra h ALA 57 N 1.20 1.25 -0.18 3.86 0.00 -0.66 -0.82 119.26 123.91 3hra h ALA 57 Ca 0.21 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 3hra h ALA 57 Cb -0.08 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.40 3hra h ALA 57 CO -0.04 0.44 -0.58 -0.07 0.00 0.00 0.00 179.25 178.99 3hra h LEU 58 N 1.14 0.81 -0.79 0.00 3.38 -0.96 -2.41 115.31 116.49 3hra h LEU 58 Ca 0.38 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3hra h LEU 58 Cb 0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3hra h LEU 58 CO -0.14 1.27 0.41 0.40 0.09 0.00 0.00 178.44 180.47 3hra h ILE 59 N 0.40 1.24 0.00 1.22 2.04 -1.00 -1.03 117.51 120.38 3hra h ILE 59 Ca -0.02 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 3hra h ILE 59 Cb 1.20 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3hra h ILE 59 CO 0.12 0.28 -0.16 0.44 0.00 0.00 0.00 178.15 178.83 3hra h ASP 60 N 1.10 0.00 -0.35 1.72 3.32 -1.09 -2.05 116.42 119.08 3hra h ASP 60 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3hra h ASP 60 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3hra h ASP 60 CO -0.04 0.16 0.00 0.54 -1.72 0.00 0.00 179.24 178.18 3hra n ARG 61 N -4.25 1.86 -0.26 3.56 5.12 -0.74 -4.92 116.66 117.03 3hra n ARG 61 Ca -0.02 -1.33 0.00 0.00 -1.93 0.00 0.00 57.85 54.56 3hra n ARG 61 Cb 0.23 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 3hra n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hra n GLY 62 N 1.11 0.86 3.75 -0.13 0.00 -0.77 -4.94 105.19 105.07 3hra n GLY 62 Ca 0.13 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3hra n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hra n ALA 63 N -1.23 2.01 -2.60 4.61 0.00 -0.47 -4.92 120.51 117.92 3hra n ALA 63 Ca 0.00 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 3hra n ALA 63 Cb 0.00 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.06 3hra n ALA 63 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hra s ASP 64 N -0.19 6.64 0.00 0.00 -1.08 -1.26 -4.75 116.67 116.03 3hra s ASP 64 Ca 0.54 0.47 0.19 0.00 -0.52 0.00 0.00 52.55 53.23 3hra s ASP 64 Cb -0.51 -2.49 0.87 0.00 -1.46 0.00 0.00 42.92 39.33 3hra s ASP 64 CO 0.63 -1.02 1.61 2.30 0.52 0.00 0.00 175.17 179.21 3hra n ILE 65 N 6.33 0.60 0.07 4.11 -5.35 -1.26 -3.04 119.36 120.82 3hra n ILE 65 Ca 0.09 0.15 0.08 0.00 -0.27 0.00 0.00 62.75 62.80 3hra n ILE 65 Cb 0.48 -0.83 0.16 0.00 -1.74 0.00 0.00 39.64 37.72 3hra n ILE 65 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3hra n ASN 66 N -1.43 2.96 -4.60 7.28 3.02 -1.26 -1.39 115.26 119.84 3hra n ASN 66 Ca 0.06 -1.88 -0.43 0.00 -0.03 0.00 0.00 54.58 52.30 3hra n ASN 66 Cb 0.20 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 3hra n ASN 66 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3hra s LEU 67 N -1.11 3.66 0.20 3.41 0.20 -1.17 -4.78 118.68 119.09 3hra s LEU 67 Ca 0.28 0.43 -0.28 0.00 0.69 0.00 0.00 54.13 55.25 3hra s LEU 67 Cb 0.16 -3.52 -0.08 0.00 -0.43 0.00 0.00 46.19 42.31 3hra s LEU 67 CO 0.21 -1.25 0.87 -1.10 -0.29 0.00 0.00 176.35 174.80 3hra s GLN 68 N 4.42 4.73 0.09 1.98 -0.21 -1.26 -4.21 119.66 125.19 3hra s GLN 68 Ca 0.47 1.35 -0.01 0.00 0.02 0.00 0.00 55.36 57.19 3hra s GLN 68 Cb -0.07 -3.28 0.02 0.00 1.00 0.00 0.00 33.01 30.68 3hra s GLN 68 CO 0.32 0.52 0.12 0.27 -2.12 0.00 0.00 175.29 174.39 3hra n ASN 69 N 1.64 0.03 0.13 5.90 0.23 0.14 -4.86 115.26 118.46 3hra n ASN 69 Ca -0.03 -1.06 0.11 0.00 -0.53 0.00 0.00 54.58 53.07 3hra n ASN 69 Cb 0.48 -0.09 0.49 0.00 -2.08 0.00 0.00 39.78 38.58 3hra n ASN 69 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3hra n SER 70 N -3.07 0.58 -1.27 0.53 7.64 -0.15 -1.17 113.62 116.72 3hra n SER 70 Ca 0.02 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.58 3hra n SER 70 Cb 0.06 -0.79 0.25 0.00 -1.01 0.00 0.00 64.21 62.71 3hra n SER 70 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3hra n ILE 71 N -2.18 2.55 -1.00 0.44 -5.35 -1.26 -4.96 119.36 107.60 3hra n ILE 71 Ca 0.01 -2.10 0.00 0.00 -0.27 0.00 0.00 62.75 60.39 3hra n ILE 71 Cb 0.16 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 3hra n ILE 71 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3hra n SER 72 N -0.65 -3.86 -4.60 7.28 7.64 -0.31 -3.76 113.62 115.37 3hra n SER 72 Ca 0.31 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.77 3hra n SER 72 Cb 1.08 -1.39 -0.06 0.00 -1.01 0.00 0.00 64.21 62.83 3hra n SER 72 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3hra s ASP 73 N -2.01 6.52 0.63 6.43 1.01 -1.26 -4.30 116.67 123.70 3hra s ASP 73 Ca 0.00 0.42 -0.04 0.00 0.71 0.00 0.00 52.55 53.63 3hra s ASP 73 Cb 0.00 -2.35 0.04 0.00 1.01 0.00 0.00 42.92 41.61 3hra s ASP 73 CO 0.00 -0.56 0.91 -0.94 0.21 0.00 0.00 175.17 174.80 3hra s SER 74 N 1.69 5.18 0.25 0.27 1.04 -1.26 -0.69 113.70 120.17 3hra s SER 74 Ca 0.27 0.42 -0.04 0.00 0.48 0.00 0.00 55.95 57.08 3hra s SER 74 Cb -0.14 -1.25 0.42 0.00 0.10 0.00 0.00 66.02 65.15 3hra s SER 74 CO 0.13 -1.31 1.79 -0.65 0.98 0.00 0.00 173.24 174.18 3hra h PRO 75 N -0.29 0.69 0.07 4.02 0.11 -1.70 -0.95 132.00 133.94 3hra h PRO 75 Ca -0.44 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hra h PRO 75 Cb 1.29 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hra h PRO 75 CO 0.59 0.46 -0.03 -0.92 -0.21 0.00 0.00 178.00 177.88 3hra h TYR 76 N 0.71 -0.08 -0.81 0.65 3.20 -1.60 0.29 116.97 119.32 3hra h TYR 76 Ca 0.41 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.25 3hra h TYR 76 Cb 0.44 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 3hra h TYR 76 CO -0.08 0.04 0.42 -0.07 -1.64 0.00 0.00 178.16 176.83 3hra h LEU 77 N -0.19 1.03 -0.11 2.82 3.38 -1.75 -1.84 115.31 118.66 3hra h LEU 77 Ca -0.01 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3hra h LEU 77 Cb 0.16 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3hra h LEU 77 CO 0.02 0.85 -0.25 0.22 0.09 0.00 0.00 178.44 179.37 3hra h TYR 78 N 1.15 0.45 -0.72 1.13 3.20 -1.11 -1.74 116.97 119.33 3hra h TYR 78 Ca 0.28 -0.17 0.07 0.00 3.14 0.00 0.00 58.73 62.06 3hra h TYR 78 Cb 0.07 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 3hra h TYR 78 CO 0.01 0.86 0.39 0.00 -1.64 0.00 0.00 178.16 177.79 3hra h ALA 79 N 0.51 0.98 0.21 1.82 0.00 -0.77 -0.52 119.26 121.49 3hra h ALA 79 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hra h ALA 79 Cb 0.85 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hra h ALA 79 CO 0.05 0.05 -0.10 0.78 0.00 0.00 0.00 179.25 180.03 3hra h GLY 80 N 0.70 -0.29 1.33 0.00 0.00 -1.34 -2.19 103.07 101.28 3hra h GLY 80 Ca 0.33 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.79 3hra h GLY 80 CO -0.22 -0.11 0.42 0.00 0.00 0.00 0.00 176.54 176.63 3hra h ALA 81 N 0.19 1.61 -0.40 3.60 0.00 -1.10 -3.26 119.26 119.89 3hra h ALA 81 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hra h ALA 81 Cb 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hra h ALA 81 CO 0.05 0.34 0.00 1.04 0.00 0.00 0.00 179.25 180.68 3hra n GLN 82 N -4.45 3.00 -1.43 0.00 1.13 -0.22 -4.12 117.38 111.29 3hra n GLN 82 Ca 0.07 -2.40 -0.03 0.00 -1.94 0.00 0.00 57.00 52.70 3hra n GLN 82 Cb 0.09 -1.51 -0.01 0.00 0.11 0.00 0.00 30.24 28.92 3hra n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hra n GLY 83 N 0.46 0.50 3.18 1.08 0.00 -1.12 -4.93 105.19 104.35 3hra n GLY 83 Ca 0.17 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 3hra n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hra n ARG 84 N -2.36 3.09 -0.05 1.61 5.12 -0.84 -4.81 116.66 118.41 3hra n ARG 84 Ca -0.04 -3.05 -0.11 0.00 -1.93 0.00 0.00 57.85 52.72 3hra n ARG 84 Cb 0.25 -3.35 -0.05 0.00 -1.16 0.00 0.00 32.46 28.16 3hra n ARG 84 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 3hra h THR 85 N 4.76 1.18 -0.41 0.55 2.02 -1.92 -0.95 112.91 118.13 3hra h THR 85 Ca 0.49 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 67.14 3hra h THR 85 Cb 0.76 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 3hra h THR 85 CO 1.63 0.17 0.25 -0.33 0.37 0.00 0.00 175.52 177.61 3hra h GLU 86 N 0.14 0.48 -0.54 6.66 3.07 -1.98 0.32 114.58 122.74 3hra h GLU 86 Ca 0.06 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 3hra h GLU 86 Cb 0.21 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 3hra h GLU 86 CO -0.00 0.32 0.07 0.82 -1.40 0.00 0.00 179.01 178.81 3hra h ILE 87 N 0.50 1.26 -0.23 3.13 2.04 -1.90 -2.19 117.51 120.11 3hra h ILE 87 Ca 0.16 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 3hra h ILE 87 Cb -0.00 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3hra h ILE 87 CO -0.07 0.36 0.14 0.25 0.00 0.00 0.00 178.15 178.83 3hra h LEU 88 N 0.79 0.28 -0.80 1.44 5.85 -0.92 -0.04 115.31 121.91 3hra h LEU 88 Ca 0.16 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.93 3hra h LEU 88 Cb 0.44 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 3hra h LEU 88 CO 0.01 0.24 0.44 0.00 -0.34 0.00 0.00 178.44 178.80 3hra h ALA 89 N 1.05 1.13 -0.37 1.25 0.00 -0.85 -0.24 119.26 121.22 3hra h ALA 89 Ca 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hra h ALA 89 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hra h ALA 89 CO -0.02 0.06 0.11 -0.92 0.00 0.00 0.00 179.25 178.49 3hra h TYR 90 N 0.75 0.59 -0.67 0.00 3.20 -0.85 -2.64 116.97 117.35 3hra h TYR 90 Ca 0.38 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.22 3hra h TYR 90 Cb 0.36 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 3hra h TYR 90 CO -0.07 0.57 0.41 0.52 -1.64 0.00 0.00 178.16 177.95 3hra h MET 91 N 0.44 0.79 0.00 1.82 2.86 -0.43 0.16 114.93 120.57 3hra h MET 91 Ca 0.12 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3hra h MET 91 Cb 0.26 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 3hra h MET 91 CO -0.00 0.52 -0.03 -0.07 1.06 0.00 0.00 176.91 178.39 3hra h LEU 92 N 0.81 0.00 0.00 1.22 3.38 -0.90 -1.42 115.31 118.40 3hra h LEU 92 Ca 0.27 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.89 3hra h LEU 92 Cb 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3hra h LEU 92 CO -0.11 0.03 -2.20 0.29 0.09 0.00 0.00 178.44 176.53 3hra n LYS 93 N -3.21 0.67 -0.00 1.13 5.02 -0.71 -4.71 118.16 116.36 3hra n LYS 93 Ca -0.01 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3hra n LYS 93 Cb 0.20 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 3hra n LYS 93 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hra n HIS 94 N -2.88 0.00 -4.06 2.13 8.25 0.48 -5.05 115.22 114.09 3hra n HIS 94 Ca -0.29 -0.36 -0.13 0.00 -0.26 0.00 0.00 57.72 56.68 3hra n HIS 94 Cb 1.12 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 32.15 3hra n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hra s ALA 95 N -0.72 0.51 -0.28 -1.41 0.00 -0.55 -4.95 121.76 114.37 3hra s ALA 95 Ca 0.00 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.61 3hra s ALA 95 Cb 0.00 1.12 0.08 0.00 0.00 0.00 0.00 23.12 24.32 3hra s ALA 95 CO 0.00 -0.80 -0.00 0.99 0.00 0.00 0.00 175.76 175.94 3hra s THR 96 N -3.24 1.69 0.40 0.00 2.01 -1.26 -4.67 115.64 110.57 3hra s THR 96 Ca 0.29 -1.62 -0.26 0.00 0.31 0.00 0.00 61.69 60.41 3hra s THR 96 Cb -0.00 -2.08 -0.09 0.00 0.01 0.00 0.00 72.50 70.34 3hra s THR 96 CO 0.17 -0.34 1.31 -2.84 -0.69 0.00 0.00 174.62 172.24 3hra s PRO 97 N 1.26 3.97 -0.49 4.92 0.02 -1.26 -4.89 135.00 138.53 3hra s PRO 97 Ca 0.01 2.18 -0.17 0.00 0.02 0.00 0.00 61.00 63.05 3hra s PRO 97 Cb -0.19 -2.77 0.07 0.00 0.02 0.00 0.00 34.50 31.64 3hra s PRO 97 CO -0.10 -0.50 0.50 0.34 -0.33 0.00 0.00 177.00 176.90 3hra s ASP 98 N -0.70 6.18 0.00 2.53 -1.08 -1.26 -4.95 116.67 117.39 3hra s ASP 98 Ca 0.57 -1.18 0.20 0.00 -0.52 0.00 0.00 52.55 51.62 3hra s ASP 98 Cb -0.39 -2.23 1.13 0.00 -1.46 0.00 0.00 42.92 39.97 3hra s ASP 98 CO 0.50 -0.76 1.74 0.18 0.52 0.00 0.00 175.17 177.34 3hra n LEU 99 N 5.61 0.25 -0.47 -1.34 4.77 -1.26 -2.41 117.00 122.15 3hra n LEU 99 Ca -0.10 -0.10 0.13 0.00 -0.03 0.00 0.00 56.01 55.91 3hra n LEU 99 Cb 0.44 -0.01 0.39 0.00 -2.33 0.00 0.00 43.42 41.91 3hra n LEU 99 CO 0.50 0.05 0.74 0.59 -1.33 0.00 0.00 177.39 177.95 3hra n ASN 100 N -0.64 1.59 -4.69 -1.43 3.02 -1.26 -4.84 115.26 107.00 3hra n ASN 100 Ca 0.15 -1.39 -0.37 0.00 -0.03 0.00 0.00 54.58 52.95 3hra n ASN 100 Cb 0.11 0.07 -0.08 0.00 -0.61 0.00 0.00 39.78 39.27 3hra n ASN 100 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hra s LYS 101 N -2.17 4.16 0.25 3.52 1.02 -1.01 -5.09 119.74 120.41 3hra s LYS 101 Ca 0.32 -0.07 0.10 0.00 0.02 0.00 0.00 55.97 56.34 3hra s LYS 101 Cb 0.20 -3.49 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 3hra s LYS 101 CO 0.40 0.12 -0.18 -1.01 -0.92 0.00 0.00 175.35 173.76 3hra s HIS 102 N 0.86 2.05 0.67 3.18 3.76 -1.26 -4.89 115.29 119.66 3hra s HIS 102 Ca 0.12 -0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 54.49 3hra s HIS 102 Cb -0.13 -0.91 0.16 0.00 1.11 0.00 0.00 32.58 32.81 3hra s HIS 102 CO 0.04 0.57 0.77 0.27 -0.85 0.00 0.00 174.74 175.53 3hra n ASN 103 N -0.52 -0.63 0.29 1.40 0.23 -0.26 -4.82 115.26 110.95 3hra n ASN 103 Ca -0.06 -1.14 0.20 0.00 -0.53 0.00 0.00 54.58 53.04 3hra n ASN 103 Cb 0.60 -0.63 1.04 0.00 -2.08 0.00 0.00 39.78 38.72 3hra n ASN 103 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 3hra h ARG 104 N 0.00 0.00 -0.52 -3.83 0.11 -1.79 -1.16 114.38 107.19 3hra h ARG 104 Ca -0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 3hra h ARG 104 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 3hra h ARG 104 CO 0.18 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.91 3hra n TYR 105 N -2.89 0.73 -1.01 4.08 4.02 -1.26 -4.94 117.16 115.89 3hra n TYR 105 Ca -0.02 -0.51 -0.00 0.00 -0.01 0.00 0.00 57.90 57.35 3hra n TYR 105 Cb 0.08 -0.03 -0.00 0.00 -0.02 0.00 0.00 39.34 39.37 3hra n TYR 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hra n GLY 106 N 0.98 0.46 4.00 2.72 0.00 -0.44 -0.77 105.19 112.14 3hra n GLY 106 Ca 0.18 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 3hra n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hra s GLY 107 N -2.61 1.78 0.00 -0.02 0.00 -1.26 -4.32 107.32 100.88 3hra s GLY 107 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.98 3hra s GLY 107 CO 0.00 -1.27 0.00 1.16 0.00 0.00 0.00 173.10 172.99 3hra n ASN 108 N -2.55 0.47 0.09 1.64 0.23 -1.26 -1.10 115.26 112.77 3hra n ASN 108 Ca 0.13 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 54.15 3hra n ASN 108 Cb 0.61 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.25 3hra n ASN 108 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hra h ALA 109 N -0.42 0.49 0.16 -2.53 0.00 -1.92 -3.39 119.26 111.65 3hra h ALA 109 Ca 0.00 -0.75 -0.28 0.00 0.00 0.00 0.00 54.91 53.87 3hra h ALA 109 Cb 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 17.69 3hra h ALA 109 CO 0.00 1.04 -1.21 1.25 0.00 0.00 0.00 179.25 180.33 3hra h LEU 110 N 0.00 0.78 0.09 0.00 5.85 -1.95 -2.96 115.31 117.13 3hra h LEU 110 Ca -0.01 -0.87 0.02 0.00 0.84 0.00 0.00 57.88 57.86 3hra h LEU 110 Cb 1.61 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 3hra h LEU 110 CO 0.11 1.59 -0.29 0.40 -0.34 0.00 0.00 178.44 179.90 3hra h ILE 111 N 0.09 0.37 -0.11 4.05 2.04 -1.95 -1.49 117.51 120.51 3hra h ILE 111 Ca -0.20 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 3hra h ILE 111 Cb 1.92 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3hra h ILE 111 CO 0.23 0.00 -0.42 1.55 0.00 0.00 0.00 178.15 179.51 3hra h PRO 112 N -0.49 0.24 -0.69 2.37 0.13 -1.77 -1.63 132.00 130.16 3hra h PRO 112 Ca 0.04 -0.11 0.06 0.00 -0.87 0.00 0.00 66.00 65.11 3hra h PRO 112 Cb 0.53 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.61 3hra h PRO 112 CO -0.19 0.62 0.39 0.00 -0.23 0.00 0.00 178.00 178.59 3hra h ALA 113 N 1.37 0.92 -0.23 -0.56 0.00 -1.31 0.29 119.26 119.73 3hra h ALA 113 Ca 0.02 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3hra h ALA 113 Cb 0.82 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3hra h ALA 113 CO 0.06 0.08 -0.15 0.00 0.00 0.00 0.00 179.25 179.24 3hra h ALA 114 N 1.35 0.33 -0.81 0.00 0.00 -1.00 -0.03 119.26 119.10 3hra h ALA 114 Ca 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hra h ALA 114 Cb 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3hra h ALA 114 CO -0.18 0.23 0.41 1.49 0.00 0.00 0.00 179.25 181.20 3hra h GLU 115 N 0.23 1.15 -0.08 0.00 4.22 -1.02 -2.33 114.58 116.74 3hra h GLU 115 Ca 0.05 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.34 3hra h GLU 115 Cb 0.68 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3hra h GLU 115 CO 0.04 0.86 0.00 1.63 -2.18 0.00 0.00 179.01 179.37 3hra n LYS 116 N -4.33 1.45 -1.01 1.92 5.02 0.07 -4.90 118.16 116.39 3hra n LYS 116 Ca 0.08 -0.67 -0.00 0.00 -2.02 0.00 0.00 58.31 55.70 3hra n LYS 116 Cb 0.12 -1.38 -0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3hra n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hra n GLY 117 N 1.03 0.43 3.14 0.72 0.00 -0.88 -4.96 105.19 104.67 3hra n GLY 117 Ca 0.16 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 3hra n GLY 117 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hra n HIS 118 N -2.99 3.95 0.02 1.61 8.25 -0.05 -4.80 115.22 121.22 3hra n HIS 118 Ca -0.00 -2.99 -0.00 0.00 -0.26 0.00 0.00 57.72 54.46 3hra n HIS 118 Cb 0.01 -2.28 0.29 0.00 1.12 0.00 0.00 29.99 29.13 3hra n HIS 118 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 3hra h ILE 119 N 4.39 1.21 -0.60 1.59 2.10 -1.93 -1.46 117.51 122.81 3hra h ILE 119 Ca 0.42 -0.88 -0.06 0.00 1.08 0.00 0.00 64.86 65.43 3hra h ILE 119 Cb 0.74 1.07 -0.03 0.00 -1.09 0.00 0.00 36.82 37.51 3hra h ILE 119 CO 1.55 0.29 0.15 0.44 -1.08 0.00 0.00 178.15 179.50 3hra h ASP 120 N 0.44 0.87 -0.64 2.19 3.32 -1.97 -1.30 116.42 119.33 3hra h ASP 120 Ca 0.09 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 3hra h ASP 120 Cb 0.40 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3hra h ASP 120 CO 0.02 0.85 0.20 0.78 -1.72 0.00 0.00 179.24 179.36 3hra h ASN 121 N 0.89 0.94 -0.40 6.45 4.21 -1.67 -1.82 115.58 124.19 3hra h ASN 121 Ca 0.19 -0.21 0.05 0.00 1.21 0.00 0.00 56.30 57.54 3hra h ASN 121 Cb 0.32 -0.25 -0.04 0.00 -1.12 0.00 0.00 38.32 37.23 3hra h ASN 121 CO -0.00 0.90 0.15 0.58 -1.29 0.00 0.00 177.43 177.77 3hra h VAL 122 N 0.93 0.90 -0.32 2.81 2.07 -0.92 -0.54 116.25 121.19 3hra h VAL 122 Ca 0.21 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3hra h VAL 122 Cb 0.30 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3hra h VAL 122 CO -0.01 0.06 0.21 0.11 0.02 0.00 0.00 177.57 177.96 3hra h LYS 123 N 0.32 0.43 -0.27 1.57 1.57 -1.08 0.37 116.57 119.47 3hra h LYS 123 Ca 0.18 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 3hra h LYS 123 Cb 0.15 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3hra h LYS 123 CO -0.18 0.30 0.05 1.25 -0.57 0.00 0.00 179.45 180.30 3hra h LEU 124 N 0.43 0.00 -0.60 2.94 5.85 -1.03 0.29 115.31 123.19 3hra h LEU 124 Ca 0.12 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 3hra h LEU 124 Cb -0.03 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3hra h LEU 124 CO -0.02 0.04 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.84 3hra h LEU 125 N 0.15 0.91 -0.44 2.25 3.38 -0.76 -1.16 115.31 119.64 3hra h LEU 125 Ca 0.12 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3hra h LEU 125 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3hra h LEU 125 CO -0.17 1.08 0.14 -0.07 0.09 0.00 0.00 178.44 179.51 3hra h LEU 126 N 0.78 0.63 -0.03 1.67 3.38 -0.66 -0.69 115.31 120.38 3hra h LEU 126 Ca 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3hra h LEU 126 Cb 0.75 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hra h LEU 126 CO 0.06 0.67 -0.01 -0.33 0.09 0.00 0.00 178.44 178.93 3hra h GLU 127 N 0.56 0.06 -0.33 1.13 5.08 -0.77 -3.40 114.58 116.91 3hra h GLU 127 Ca 0.14 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.25 3hra h GLU 127 Cb 0.27 -0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.13 3hra h GLU 127 CO -0.00 0.41 -1.04 -0.25 -1.00 0.00 0.00 179.01 177.12 3hra n ASP 128 N -4.87 1.25 -0.06 1.42 8.00 -0.45 -4.93 116.55 116.90 3hra n ASP 128 Ca -0.08 -2.03 -0.06 0.00 0.71 0.00 0.00 54.79 53.33 3hra n ASP 128 Cb 0.21 -0.36 -0.09 0.00 -0.02 0.00 0.00 41.12 40.85 3hra n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hra n GLY 129 N -0.49 -0.58 3.32 0.44 0.00 -0.27 -4.92 105.19 102.69 3hra n GLY 129 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3hra n GLY 129 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hra n ARG 130 N -2.45 0.00 -1.67 1.61 0.63 -1.26 -4.99 116.66 108.54 3hra n ARG 130 Ca -0.20 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.29 3hra n ARG 130 Cb 0.89 -1.12 -0.02 0.00 0.45 0.00 0.00 32.46 32.65 3hra n ARG 130 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3hra n GLU 131 N -2.00 1.97 -2.52 -0.14 -0.58 -1.26 -4.93 120.64 111.18 3hra n GLU 131 Ca 0.00 0.70 -0.43 0.00 -0.42 0.00 0.00 57.16 57.01 3hra n GLU 131 Cb 0.00 -2.33 -0.02 0.00 -0.57 0.00 0.00 31.44 28.52 3hra n GLU 131 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3hra s ASP 132 N 0.16 6.94 0.63 1.62 2.15 -1.26 -4.90 116.67 122.00 3hra s ASP 132 Ca 0.66 1.42 0.40 0.00 0.43 0.00 0.00 52.55 55.46 3hra s ASP 132 Cb -0.65 -2.54 2.09 0.00 -0.30 0.00 0.00 42.92 41.52 3hra s ASP 132 CO 0.52 -0.81 2.27 -0.29 -0.17 0.00 0.00 175.17 176.68 3hra h ILE 133 N 5.60 0.12 -0.62 4.11 2.10 -1.96 -1.96 117.51 124.90 3hra h ILE 133 Ca -0.23 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.56 3hra h ILE 133 Cb 1.08 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 37.94 3hra h ILE 133 CO 0.99 0.01 0.00 0.47 -1.08 0.00 0.00 178.15 178.55 3hra n ASP 134 N -3.22 4.52 -4.75 2.19 8.00 -1.26 -4.52 116.55 117.50 3hra n ASP 134 Ca -0.02 -2.40 -0.37 0.00 0.71 0.00 0.00 54.79 52.70 3hra n ASP 134 Cb 0.13 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 40.72 3hra n ASP 134 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3hra s PHE 135 N -1.76 2.40 0.03 1.24 5.36 -0.74 -4.94 117.98 119.57 3hra s PHE 135 Ca 0.49 1.46 0.08 0.00 -0.96 0.00 0.00 56.93 58.00 3hra s PHE 135 Cb 0.31 -3.62 -0.03 0.00 -0.34 0.00 0.00 43.02 39.34 3hra s PHE 135 CO 0.24 -2.45 -0.24 -0.65 -1.46 0.00 0.00 175.22 170.66 3hra s GLN 136 N -3.04 1.69 0.00 10.12 -0.21 -1.26 -4.27 119.66 122.69 3hra s GLN 136 Ca 0.73 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 55.11 3hra s GLN 136 Cb -0.35 -1.80 0.00 0.00 1.00 0.00 0.00 33.01 31.85 3hra s GLN 136 CO 0.40 0.47 0.00 0.27 -2.12 0.00 0.00 175.29 174.31 3hra n ASN 137 N 1.94 0.00 0.29 5.90 2.04 -0.61 -4.79 115.26 120.04 3hra n ASN 137 Ca -0.17 -0.81 0.16 0.00 -0.44 0.00 0.00 54.58 53.33 3hra n ASN 137 Cb 0.52 0.00 0.89 0.00 -2.53 0.00 0.00 39.78 38.66 3hra n ASN 137 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 3hra h ASP 138 N 0.00 0.00 0.28 0.53 3.45 -1.15 -0.15 116.42 119.39 3hra h ASP 138 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hra h ASP 138 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3hra h ASP 138 CO 0.00 0.05 -0.24 0.49 -1.57 0.00 0.00 179.24 177.97 3hra n PHE 139 N -3.46 0.00 -0.73 4.55 3.72 -1.26 -4.92 117.46 115.36 3hra n PHE 139 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3hra n PHE 139 Cb 0.17 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 3hra n PHE 139 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hra n GLY 140 N 1.34 0.77 3.74 1.37 0.00 -0.07 -1.73 105.19 110.62 3hra n GLY 140 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3hra n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hra s TYR 141 N -2.83 3.68 0.54 1.61 4.12 -1.26 -4.02 117.35 119.19 3hra s TYR 141 Ca 0.00 1.70 0.06 0.00 0.02 0.00 0.00 57.07 58.84 3hra s TYR 141 Cb 0.00 -3.21 0.06 0.00 -1.52 0.00 0.00 41.96 37.29 3hra s TYR 141 CO 0.00 -0.34 0.75 0.95 0.02 0.00 0.00 175.55 176.93 3hra s THR 142 N -0.60 2.52 0.21 -0.71 -4.23 -1.26 -1.57 115.64 110.00 3hra s THR 142 Ca 0.47 -0.87 -0.09 0.00 -1.18 0.00 0.00 61.69 60.01 3hra s THR 142 Cb -0.29 -2.65 0.16 0.00 1.34 0.00 0.00 72.50 71.06 3hra s THR 142 CO 0.35 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.27 3hra h ALA 143 N 0.20 0.96 -0.21 3.99 0.00 -1.79 -1.32 119.26 121.08 3hra h ALA 143 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hra h ALA 143 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3hra h ALA 143 CO 0.44 0.19 0.13 1.25 0.00 0.00 0.00 179.25 181.26 3hra h LEU 144 N 0.84 0.24 -0.56 0.00 5.85 -1.94 -0.45 115.31 119.29 3hra h LEU 144 Ca 0.30 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 3hra h LEU 144 Cb 0.08 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3hra h LEU 144 CO -0.14 0.20 0.35 0.40 -0.34 0.00 0.00 178.44 178.91 3hra h ILE 145 N 0.27 1.16 -0.36 4.05 2.04 -1.86 -1.48 117.51 121.33 3hra h ILE 145 Ca 0.07 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3hra h ILE 145 Cb -0.01 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3hra h ILE 145 CO -0.02 0.16 0.06 -0.33 0.00 0.00 0.00 178.15 178.03 3hra h GLU 146 N 0.76 0.60 -0.39 2.37 5.08 -1.10 0.40 114.58 122.29 3hra h GLU 146 Ca 0.20 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3hra h GLU 146 Cb -0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3hra h GLU 146 CO -0.04 0.66 0.26 0.00 -1.00 0.00 0.00 179.01 178.90 3hra h ALA 147 N 0.91 1.91 0.00 3.43 0.00 -0.80 -2.14 119.26 122.56 3hra h ALA 147 Ca 0.11 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3hra h ALA 147 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hra h ALA 147 CO 0.01 0.04 -0.84 0.28 0.00 0.00 0.00 179.25 178.74 3hra h VAL 148 N 0.37 0.76 0.00 0.00 2.07 -1.01 -3.40 116.25 115.04 3hra h VAL 148 Ca 0.16 -1.85 -0.18 0.00 0.82 0.00 0.00 66.70 65.65 3hra h VAL 148 Cb 0.19 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3hra h VAL 148 CO -0.04 0.26 -1.20 1.23 0.02 0.00 0.00 177.57 177.84 3hra h GLY 149 N -1.00 0.00 0.54 2.17 0.00 -0.21 -3.33 103.07 101.23 3hra h GLY 149 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3hra h GLY 149 CO -0.12 0.00 -0.78 1.04 0.00 0.00 0.00 176.54 176.67 3hra n LEU 150 N -3.06 0.71 0.00 3.11 4.32 -0.81 -4.99 117.00 116.28 3hra n LEU 150 Ca -0.07 -0.20 0.00 0.00 -0.02 0.00 0.00 56.01 55.72 3hra n LEU 150 Cb 0.87 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.55 3hra n LEU 150 CO 0.43 0.16 0.00 0.54 -1.22 0.00 0.00 177.39 177.30 3hra n ARG 151 N -1.57 2.19 0.00 3.23 5.12 -1.25 -5.07 116.66 119.31 3hra n ARG 151 Ca 0.04 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.09 3hra n ARG 151 Cb 0.35 0.00 0.38 0.00 -1.16 0.00 0.00 32.46 32.03 3hra n ARG 151 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3hra n GLU 152 N -0.00 1.38 -1.12 5.56 4.71 -1.26 -4.94 120.64 124.97 3hra n GLU 152 Ca 0.00 -0.88 -0.04 0.00 -0.01 0.00 0.00 57.16 56.23 3hra n GLU 152 Cb 0.00 -1.48 -0.02 0.00 -1.01 0.00 0.00 31.44 28.93 3hra n GLU 152 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hra n GLY 153 N 1.27 0.62 1.25 0.62 0.00 -1.26 -5.00 105.19 102.70 3hra n GLY 153 Ca 0.15 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 3hra n GLY 153 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hra n ASN 154 N -0.12 0.12 -0.29 1.61 0.23 -1.26 -4.63 115.26 110.92 3hra n ASN 154 Ca -0.04 -1.20 0.06 0.00 -0.53 0.00 0.00 54.58 52.87 3hra n ASN 154 Cb 0.27 -0.30 0.21 0.00 -2.08 0.00 0.00 39.78 37.88 3hra n ASN 154 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 3hra h GLN 155 N 0.00 0.62 -0.48 -3.83 5.75 -1.98 0.32 115.11 115.51 3hra h GLN 155 Ca -0.13 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 3hra h GLN 155 Cb 0.39 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 3hra h GLN 155 CO 0.10 0.41 0.26 1.25 -2.65 0.00 0.00 178.83 178.20 3hra h LEU 156 N 0.63 0.60 -0.45 -2.39 5.85 -1.99 0.06 115.31 117.62 3hra h LEU 156 Ca 0.45 -0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.90 3hra h LEU 156 Cb 0.61 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3hra h LEU 156 CO -0.35 0.53 -0.77 1.88 -0.34 0.00 0.00 178.44 179.39 3hra h TYR 157 N 0.63 0.14 -0.55 1.25 0.05 -1.72 -1.22 116.97 115.55 3hra h TYR 157 Ca 0.17 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.89 3hra h TYR 157 Cb 0.06 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 3hra h TYR 157 CO -0.02 0.83 0.35 1.96 -1.05 0.00 0.00 178.16 180.23 3hra h GLN 158 N 0.06 0.68 -0.52 4.88 4.20 -0.67 0.54 115.11 124.29 3hra h GLN 158 Ca -0.02 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 3hra h GLN 158 Cb 1.35 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 3hra h GLN 158 CO 0.11 0.45 -0.01 -0.44 -0.67 0.00 0.00 178.83 178.27 3hra h ASP 159 N 0.71 0.85 -0.41 1.46 3.32 -0.53 -1.50 116.42 120.32 3hra h ASP 159 Ca 0.21 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 3hra h ASP 159 Cb -0.04 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3hra h ASP 159 CO -0.07 0.92 -0.17 0.40 -1.72 0.00 0.00 179.24 178.61 3hra h ILE 160 N 0.82 1.28 -0.44 0.35 2.04 -0.86 -1.39 117.51 119.30 3hra h ILE 160 Ca 0.15 -1.30 0.03 0.00 1.00 0.00 0.00 64.86 64.75 3hra h ILE 160 Cb 0.50 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 3hra h ILE 160 CO 0.02 0.44 0.23 0.58 0.00 0.00 0.00 178.15 179.42 3hra h VAL 161 N 0.66 0.98 -0.29 1.67 2.07 -0.69 -1.30 116.25 119.36 3hra h VAL 161 Ca 0.10 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3hra h VAL 161 Cb 0.72 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3hra h VAL 161 CO 0.05 0.08 0.17 0.50 0.02 0.00 0.00 177.57 178.40 3hra h LYS 162 N 0.45 0.40 -0.46 1.57 1.63 -1.12 -1.17 116.57 117.88 3hra h LYS 162 Ca 0.19 -0.04 0.08 0.00 -0.85 0.00 0.00 60.65 60.03 3hra h LYS 162 Cb 0.08 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 31.56 3hra h LYS 162 CO -0.12 0.31 0.06 1.25 -3.45 0.00 0.00 179.45 177.50 3hra h LEU 163 N 0.37 -0.06 -0.33 5.20 6.46 -1.07 0.59 115.31 126.47 3hra h LEU 163 Ca 0.10 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 3hra h LEU 163 Cb 0.02 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 3hra h LEU 163 CO -0.02 0.00 0.11 -0.07 -0.62 0.00 0.00 178.44 177.85 3hra h LEU 164 N 0.19 0.46 -0.99 2.25 3.38 -0.97 -2.54 115.31 117.09 3hra h LEU 164 Ca 0.23 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3hra h LEU 164 Cb 0.31 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3hra h LEU 164 CO -0.32 0.53 -0.07 0.24 0.09 0.00 0.00 178.44 178.91 3hra h MET 165 N 0.37 0.65 0.00 1.13 2.86 -0.94 -1.46 114.93 117.55 3hra h MET 165 Ca 0.11 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3hra h MET 165 Cb 0.22 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3hra h MET 165 CO -0.01 0.72 0.00 0.39 1.06 0.00 0.00 176.91 179.07 3hra n GLU 166 N -4.20 0.20 -0.51 1.72 -0.58 0.17 -1.88 120.64 115.56 3hra n GLU 166 Ca 0.01 0.42 0.08 0.00 -0.42 0.00 0.00 57.16 57.25 3hra n GLU 166 Cb 0.32 -1.88 0.29 0.00 -0.57 0.00 0.00 31.44 29.60 3hra n GLU 166 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hra n ASN 167 N -2.27 4.24 0.00 1.62 3.02 -0.74 -4.96 115.26 116.17 3hra n ASN 167 Ca 0.02 -2.63 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 3hra n ASN 167 Cb 0.24 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 3hra n ASN 167 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hra n GLY 168 N 0.35 0.52 3.67 7.41 0.00 -0.79 -5.02 105.19 111.33 3hra n GLY 168 Ca 0.22 -0.87 -0.44 0.00 0.00 0.00 0.00 46.02 44.93 3hra n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hra n ALA 169 N 0.33 1.03 -2.59 4.61 0.00 -0.63 -4.92 120.51 118.35 3hra n ALA 169 Ca 0.00 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 3hra n ALA 169 Cb 0.02 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.19 3hra n ALA 169 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hra s ASP 170 N -0.06 6.45 0.00 0.00 -1.08 -1.26 -4.82 116.67 115.90 3hra s ASP 170 Ca 0.62 -0.02 0.29 0.00 -0.52 0.00 0.00 52.55 52.92 3hra s ASP 170 Cb -0.62 -2.45 1.30 0.00 -1.46 0.00 0.00 42.92 39.70 3hra s ASP 170 CO 0.56 -1.10 1.91 0.00 0.52 0.00 0.00 175.17 177.05 3hra n GLN 171 N 7.26 0.71 0.01 4.34 10.64 -1.26 -3.57 117.38 135.50 3hra n GLN 171 Ca 0.05 -0.21 0.13 0.00 -1.83 0.00 0.00 57.00 55.14 3hra n GLN 171 Cb 0.48 -1.50 0.48 0.00 -0.86 0.00 0.00 30.24 28.84 3hra n GLN 171 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3hra n SER 172 N -0.96 0.22 -4.73 2.61 3.41 -1.26 -4.22 113.62 108.69 3hra n SER 172 Ca 0.15 0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 58.60 3hra n SER 172 Cb 0.26 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3hra n SER 172 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hra s ILE 173 N -3.01 2.43 -0.13 -1.33 1.01 -1.23 -4.92 121.20 114.01 3hra s ILE 173 Ca 0.13 0.32 -0.07 0.00 0.00 0.00 0.00 60.65 61.03 3hra s ILE 173 Cb 0.18 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3hra s ILE 173 CO 0.59 0.03 0.12 -0.54 0.00 0.00 0.00 174.94 175.15 3hra s LYS 174 N 0.71 3.54 0.34 2.79 1.02 -1.26 -4.40 119.74 122.48 3hra s LYS 174 Ca 0.69 -0.18 -0.06 0.00 0.02 0.00 0.00 55.97 56.44 3hra s LYS 174 Cb -0.45 -3.19 0.08 0.00 -0.52 0.00 0.00 37.83 33.75 3hra s LYS 174 CO 0.35 0.68 0.39 -0.40 -0.92 0.00 0.00 175.35 175.45 3hra n ASP 175 N 2.30 -0.47 0.18 2.83 3.85 -0.47 -4.84 116.55 119.94 3hra n ASP 175 Ca -0.19 -0.99 0.14 0.00 -0.71 0.00 0.00 54.79 53.04 3hra n ASP 175 Cb 0.54 -0.32 0.58 0.00 -1.35 0.00 0.00 41.12 40.57 3hra n ASP 175 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.20 176.97 3hra h ASN 176 N -0.92 0.00 -0.04 -1.12 -0.26 -1.58 -0.49 115.58 111.18 3hra h ASN 176 Ca -0.13 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 3hra h ASN 176 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 3hra h ASN 176 CO 0.09 0.00 0.00 -1.54 -1.06 0.00 0.00 177.43 174.92 3hra n SER 177 N -2.51 1.65 0.00 5.81 3.41 -1.26 -4.94 113.62 115.78 3hra n SER 177 Ca 0.01 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.06 3hra n SER 177 Cb 0.23 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3hra n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hra n GLY 178 N 1.19 0.52 3.73 5.00 0.00 -0.19 -5.05 105.19 110.38 3hra n GLY 178 Ca 0.18 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 3hra n GLY 178 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hra s ARG 179 N -0.99 2.93 0.44 1.61 0.52 -1.26 -4.79 118.95 117.41 3hra s ARG 179 Ca 0.00 -0.53 0.08 0.00 -0.52 0.00 0.00 55.73 54.76 3hra s ARG 179 Cb 0.00 -2.77 0.02 0.00 0.52 0.00 0.00 34.95 32.72 3hra s ARG 179 CO 0.00 0.64 0.57 0.95 0.02 0.00 0.00 175.30 177.48 3hra s THR 180 N -1.12 2.84 0.24 0.02 -4.23 -1.26 -1.37 115.64 110.75 3hra s THR 180 Ca 0.20 -1.05 -0.06 0.00 -1.18 0.00 0.00 61.69 59.60 3hra s THR 180 Cb -0.12 -2.89 0.20 0.00 1.34 0.00 0.00 72.50 71.03 3hra s THR 180 CO 0.11 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.03 3hra h ALA 181 N 0.64 1.12 -0.90 3.99 0.00 -1.78 -1.90 119.26 120.42 3hra h ALA 181 Ca -0.39 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3hra h ALA 181 Cb 1.28 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3hra h ALA 181 CO 0.46 0.21 0.60 1.98 0.00 0.00 0.00 179.25 182.50 3hra h MET 182 N 0.89 1.19 -0.30 0.00 1.85 -1.96 -1.60 114.93 115.01 3hra h MET 182 Ca 0.36 -0.07 0.03 0.00 -0.61 0.00 0.00 59.70 59.41 3hra h MET 182 Cb 0.20 -0.27 -0.03 0.00 0.43 0.00 0.00 31.60 31.93 3hra h MET 182 CO -0.18 0.79 0.10 -0.44 -0.40 0.00 0.00 176.91 176.77 3hra h ASP 183 N 1.23 0.10 -0.27 1.39 3.32 -1.76 -1.57 116.42 118.86 3hra h ASP 183 Ca 0.33 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 3hra h ASP 183 Cb -0.14 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3hra h ASP 183 CO -0.07 0.09 0.03 1.88 -1.72 0.00 0.00 179.24 179.45 3hra h TYR 184 N 0.23 0.49 -0.60 4.55 0.05 -1.01 -1.34 116.97 119.33 3hra h TYR 184 Ca 0.13 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3hra h TYR 184 Cb 0.11 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3hra h TYR 184 CO -0.14 0.58 0.39 0.00 -1.05 0.00 0.00 178.16 177.94 3hra h ALA 185 N 0.85 0.77 -0.20 3.88 0.00 -1.20 -1.36 119.26 121.99 3hra h ALA 185 Ca 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hra h ALA 185 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hra h ALA 185 CO 0.01 0.21 0.12 -0.97 0.00 0.00 0.00 179.25 178.62 3hra h ASN 186 N 0.82 0.24 -0.67 0.00 -0.00 -1.20 0.46 115.58 115.22 3hra h ASN 186 Ca 0.22 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.49 3hra h ASN 186 Cb -0.08 -0.06 -0.03 0.00 -0.00 0.00 0.00 38.32 38.15 3hra h ASN 186 CO -0.05 0.20 0.43 1.56 -0.00 0.00 0.00 177.43 179.58 3hra h GLN 187 N 0.25 0.89 -0.01 6.67 4.20 -0.94 -2.86 115.11 123.31 3hra h GLN 187 Ca 0.07 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hra h GLN 187 Cb 0.01 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.59 3hra h GLN 187 CO -0.01 0.60 -0.36 1.63 -0.67 0.00 0.00 178.83 180.01 3hra n LYS 188 N -4.42 0.65 -1.97 1.46 5.02 -0.54 -4.93 118.16 113.42 3hra n LYS 188 Ca 0.07 -0.41 -0.05 0.00 -2.02 0.00 0.00 58.31 55.90 3hra n LYS 188 Cb 0.05 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.56 3hra n LYS 188 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hra n GLY 189 N 1.39 0.24 3.23 0.72 0.00 -0.76 -4.95 105.19 105.06 3hra n GLY 189 Ca 0.10 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 3hra n GLY 189 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hra n TYR 190 N -3.85 4.18 -0.17 1.61 0.53 0.08 -4.84 117.16 114.70 3hra n TYR 190 Ca -0.06 -2.98 -0.02 0.00 -1.02 0.00 0.00 57.90 53.82 3hra n TYR 190 Cb 0.50 -2.42 0.08 0.00 -1.03 0.00 0.00 39.34 36.47 3hra n TYR 190 CO 0.00 0.00 0.00 1.15 -1.02 0.00 0.00 176.86 176.99 3hra h THR 191 N 4.68 0.74 -0.59 -0.72 2.02 -1.93 -0.83 112.91 116.28 3hra h THR 191 Ca 0.44 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.42 3hra h THR 191 Cb 0.77 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3hra h THR 191 CO 1.55 0.06 -0.02 -0.33 0.37 0.00 0.00 175.52 177.14 3hra h GLU 192 N 0.30 1.06 -0.48 6.66 4.39 -1.90 -1.71 114.58 122.90 3hra h GLU 192 Ca 0.27 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3hra h GLU 192 Cb 0.35 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3hra h GLU 192 CO -0.31 1.05 0.21 0.82 -1.16 0.00 0.00 179.01 179.61 3hra h ILE 193 N 0.96 1.20 -0.76 3.13 2.04 -1.77 -2.16 117.51 120.15 3hra h ILE 193 Ca 0.17 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.49 3hra h ILE 193 Cb 0.58 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3hra h ILE 193 CO 0.03 0.23 0.46 0.28 0.00 0.00 0.00 178.15 179.15 3hra h SER 194 N 0.63 0.73 -0.36 1.72 0.02 -0.84 0.16 113.55 115.61 3hra h SER 194 Ca 0.16 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3hra h SER 194 Cb 0.16 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3hra h SER 194 CO -0.02 0.48 0.14 0.50 -1.14 0.00 0.00 176.83 176.79 3hra h LYS 195 N 0.86 0.55 -0.17 3.45 3.64 -1.22 -0.29 116.57 123.39 3hra h LYS 195 Ca 0.33 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 3hra h LYS 195 Cb 0.13 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3hra h LYS 195 CO -0.16 0.55 0.03 0.82 -2.27 0.00 0.00 179.45 178.43 3hra h ILE 196 N 0.44 0.92 -0.53 2.00 2.04 -0.86 -2.72 117.51 118.80 3hra h ILE 196 Ca 0.12 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 3hra h ILE 196 Cb 0.21 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3hra h ILE 196 CO -0.01 0.02 0.15 -0.07 0.00 0.00 0.00 178.15 178.24 3hra h LEU 197 N 0.10 0.74 -2.29 1.44 3.38 -0.74 -2.26 115.31 115.69 3hra h LEU 197 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hra h LEU 197 Cb 0.07 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3hra h LEU 197 CO -0.10 0.71 -0.02 0.00 0.09 0.00 0.00 178.44 179.12 3hra h ALA 198 N 1.39 1.06 -0.00 1.53 0.00 -0.74 -2.59 119.26 119.91 3hra h ALA 198 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hra h ALA 198 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hra h ALA 198 CO -0.01 0.03 -0.10 1.04 0.00 0.00 0.00 179.25 180.20 3hra n GLN 199 N -3.20 0.18 -4.38 0.00 6.02 -0.85 -4.84 117.38 110.31 3hra n GLN 199 Ca -0.02 -0.04 -0.24 0.00 -0.01 0.00 0.00 57.00 56.70 3hra n GLN 199 Cb 0.18 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.85 3hra n GLN 199 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3hra s TYR 200 N -2.84 2.48 -2.37 1.08 1.51 -0.98 -5.14 117.35 111.09 3hra s TYR 200 Ca 0.18 -0.28 0.29 0.00 -1.01 0.00 0.00 57.07 56.25 3hra s TYR 200 Cb 0.19 -1.11 1.27 0.00 -0.11 0.00 0.00 41.96 42.20 3hra s TYR 200 CO 0.54 0.64 1.87 0.09 -1.11 0.00 0.00 175.55 177.58