#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aut s LEU 51 N -4.32 4.07 -0.33 0.00 1.43 -1.26 -5.01 118.68 113.26 1aut s LEU 51 Ca 0.53 1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 54.45 1aut s LEU 51 Cb -0.10 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 42.21 1aut s LEU 51 CO 0.33 -0.18 1.33 0.68 0.23 0.00 0.00 176.35 178.73 1aut s VAL 52 N -1.97 4.08 0.00 -1.59 -7.23 -1.26 -5.02 120.40 107.41 1aut s VAL 52 Ca 0.51 1.19 -0.01 0.00 -1.81 0.00 0.00 61.98 61.86 1aut s VAL 52 Cb -0.11 -4.17 -0.04 0.00 0.56 0.00 0.00 36.38 32.62 1aut s VAL 52 CO 0.21 -0.55 0.14 -1.48 -0.31 0.00 0.00 175.10 173.10 1aut s LEU 53 N 4.64 4.16 0.00 1.32 2.34 -1.26 -5.00 118.68 124.87 1aut s LEU 53 Ca 0.57 0.24 0.00 0.00 0.06 0.00 0.00 54.13 55.01 1aut s LEU 53 Cb -0.16 -2.50 0.00 0.00 -0.56 0.00 0.00 46.19 42.97 1aut s LEU 53 CO 0.26 0.25 0.80 -0.81 -1.06 0.00 0.00 176.35 175.79 1aut n PRO 54 N 0.96 0.63 -4.20 1.48 -0.04 -1.26 -4.78 135.00 127.80 1aut n PRO 54 Ca -0.11 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.17 1aut n PRO 54 Cb 0.52 -1.18 -0.12 0.00 -0.04 0.00 0.00 33.50 32.69 1aut n PRO 54 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1aut s LEU 55 N 0.00 2.33 0.55 1.53 1.43 -1.26 -5.14 118.68 118.12 1aut s LEU 55 Ca 0.00 -0.70 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 1aut s LEU 55 Cb 0.00 -0.53 -0.06 0.00 0.03 0.00 0.00 46.19 45.64 1aut s LEU 55 CO 0.00 -0.11 1.03 -1.61 0.23 0.00 0.00 176.35 175.89 1aut s GLU 56 N -2.15 3.59 0.01 1.70 2.02 -1.26 -5.08 118.70 117.54 1aut s GLU 56 Ca 0.03 1.14 -0.03 0.00 0.02 0.00 0.00 54.97 56.13 1aut s GLU 56 Cb -0.08 -2.08 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 1aut s GLU 56 CO 0.02 -0.58 0.03 -3.38 0.02 0.00 0.00 175.26 171.38 1aut s HIS 57 N -2.45 0.18 0.19 1.61 -3.43 -1.26 -5.07 115.29 105.06 1aut s HIS 57 Ca 0.62 -0.39 -0.16 0.00 -0.80 0.00 0.00 55.06 54.34 1aut s HIS 57 Cb -0.14 -0.14 0.18 0.00 -1.43 0.00 0.00 32.58 31.05 1aut s HIS 57 CO 0.33 -0.23 1.63 -1.00 -2.00 0.00 0.00 174.74 173.47 1aut h PRO 58 N 4.49 -0.03 -6.33 -0.38 0.13 -1.94 -3.43 132.00 124.50 1aut h PRO 58 Ca -0.32 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.37 1aut h PRO 58 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1aut h PRO 58 CO 0.41 -0.02 -0.33 0.00 -0.23 0.00 0.00 178.00 177.83 1aut h ALA 60 N 0.86 -1.34 -2.73 0.00 0.00 -1.95 -3.40 119.26 110.69 1aut h ALA 60 Ca -0.43 -0.29 -0.50 0.00 0.00 0.00 0.00 54.91 53.68 1aut h ALA 60 Cb 1.26 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1aut h ALA 60 CO 0.51 -1.25 0.41 0.45 0.00 0.00 0.00 179.25 179.37 1aut s SER 61 N -4.02 7.46 0.35 0.00 0.15 -1.26 -4.93 113.70 111.45 1aut s SER 61 Ca -0.20 2.05 0.11 0.00 0.70 0.00 0.00 55.95 58.61 1aut s SER 61 Cb 0.02 -2.61 0.88 0.00 -1.71 0.00 0.00 66.02 62.60 1aut s SER 61 CO 0.60 -0.02 1.79 0.25 1.20 0.00 0.00 173.24 177.06 1aut h LEU 62 N 4.36 0.64 -3.02 3.45 5.85 -1.94 0.87 115.31 125.52 1aut h LEU 62 Ca -0.45 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1aut h LEU 62 Cb 1.21 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1aut h LEU 62 CO 0.69 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 179.00 1aut n GLY 65 N 0.39 0.69 0.00 0.00 0.00 -1.26 -4.86 105.19 100.14 1aut n GLY 65 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1aut n GLY 65 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1aut n HIS 66 N -3.14 0.00 -3.67 1.61 8.25 0.20 -5.06 115.22 113.42 1aut n HIS 66 Ca -0.08 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1aut n HIS 66 Cb 0.33 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1aut n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aut n GLY 67 N -0.40 0.92 3.18 -1.41 0.00 -1.18 0.46 105.19 106.76 1aut n GLY 67 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 1aut n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aut s THR 68 N -2.33 0.10 -0.33 2.61 -4.23 -0.09 -4.70 115.64 106.67 1aut s THR 68 Ca 0.00 -0.85 -0.28 0.00 -1.18 0.00 0.00 61.69 59.39 1aut s THR 68 Cb 0.00 -0.84 0.02 0.00 1.34 0.00 0.00 72.50 73.02 1aut s THR 68 CO 0.00 -0.47 1.01 0.00 -0.54 0.00 0.00 174.62 174.63 1aut n ILE 70 N 5.89 0.00 -0.23 0.00 3.06 -1.22 -4.88 119.36 121.98 1aut n ILE 70 Ca 0.10 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.35 1aut n ILE 70 Cb 0.47 -0.77 0.00 0.00 0.54 0.00 0.00 39.64 39.89 1aut n ILE 70 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1aut n GLY 72 N 1.91 -2.01 0.45 4.50 0.00 -1.26 -4.60 105.19 104.19 1aut n GLY 72 Ca 0.00 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 1aut n GLY 72 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1aut h ILE 73 N 0.00 0.00 0.00 -0.61 2.04 -2.07 -3.39 117.51 113.48 1aut h ILE 73 Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 1aut h ILE 73 Cb 0.00 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.93 1aut h ILE 73 CO 0.00 0.00 -0.27 0.61 0.00 0.00 0.00 178.15 178.49 1aut n GLY 74 N -1.41 1.84 3.10 5.37 0.00 -1.26 -5.12 105.19 107.71 1aut n GLY 74 Ca -0.06 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1aut n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aut s SER 75 N -1.10 2.27 -0.29 1.61 0.01 -1.26 -5.12 113.70 109.82 1aut s SER 75 Ca 0.11 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 1aut s SER 75 Cb 0.43 -1.03 0.04 0.00 0.21 0.00 0.00 66.02 65.67 1aut s SER 75 CO -0.12 0.08 -0.01 0.72 0.41 0.00 0.00 173.24 174.33 1aut s PHE 76 N 0.52 3.22 0.18 2.43 -0.71 -1.26 -4.32 117.98 118.04 1aut s PHE 76 Ca -0.16 -1.76 0.09 0.00 -1.04 0.00 0.00 56.93 54.06 1aut s PHE 76 Cb -0.16 -2.11 -0.04 0.00 -1.21 0.00 0.00 43.02 39.49 1aut s PHE 76 CO 0.06 -0.78 -0.18 -1.12 -1.34 0.00 0.00 175.22 171.86 1aut s SER 77 N 1.28 2.73 -0.35 1.98 0.01 -1.26 -5.07 113.70 113.02 1aut s SER 77 Ca -0.04 -0.91 -0.16 0.00 1.31 0.00 0.00 55.95 56.15 1aut s SER 77 Cb -0.19 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 1aut s SER 77 CO -0.01 -0.06 0.41 0.00 0.41 0.00 0.00 173.24 173.99 1aut s ASP 79 N 1.74 6.69 -0.08 0.00 2.15 0.20 -4.85 116.67 122.51 1aut s ASP 79 Ca 0.14 -2.08 -0.30 0.00 0.43 0.00 0.00 52.55 50.75 1aut s ASP 79 Cb -0.16 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 1aut s ASP 79 CO 0.12 -1.17 1.52 0.00 -0.17 0.00 0.00 175.17 175.48 1aut s ARG 81 N 3.75 0.07 -0.09 0.00 0.52 0.17 -4.82 118.95 118.55 1aut s ARG 81 Ca 0.67 0.70 -0.34 0.00 -0.52 0.00 0.00 55.73 56.24 1aut s ARG 81 Cb -0.30 -1.68 -0.12 0.00 0.52 0.00 0.00 34.95 33.37 1aut s ARG 81 CO 0.25 -3.02 1.89 0.43 0.02 0.00 0.00 175.30 174.87 1aut n SER 82 N -4.40 3.46 0.00 0.23 7.64 -1.26 -1.92 113.62 117.37 1aut n SER 82 Ca 0.05 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1aut n SER 82 Cb 0.56 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1aut n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aut n GLY 83 N 4.43 1.42 3.49 0.23 0.00 -1.26 -5.07 105.19 108.42 1aut n GLY 83 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 1aut n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1aut s TRP 84 N -2.08 2.16 0.15 1.61 0.52 -0.81 -0.44 118.94 120.07 1aut s TRP 84 Ca 0.00 -0.67 -0.25 0.00 0.02 0.00 0.00 56.10 55.20 1aut s TRP 84 Cb 0.00 -1.31 0.07 0.00 -1.15 0.00 0.00 33.47 31.09 1aut s TRP 84 CO 0.00 0.36 1.00 -1.83 0.02 0.00 0.00 176.95 176.50 1aut s GLU 85 N -3.71 1.19 0.00 4.98 -1.05 0.16 -4.72 118.70 115.54 1aut s GLU 85 Ca 0.32 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 1aut s GLU 85 Cb 0.05 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 1aut s GLU 85 CO 0.15 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.22 1aut n GLY 86 N -0.53 1.94 0.25 -3.83 0.00 -1.26 -0.18 105.19 101.58 1aut n GLY 86 Ca -0.06 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.82 1aut n GLY 86 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1aut h ARG 87 N 0.00 0.82 -0.61 1.61 2.43 -1.99 -2.89 114.38 113.75 1aut h ARG 87 Ca 0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1aut h ARG 87 Cb 0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1aut h ARG 87 CO 0.00 0.67 0.00 1.19 -1.51 0.00 0.00 179.97 180.32 1aut n PHE 88 N -4.55 1.03 -1.78 2.20 3.01 -1.26 -4.49 117.46 111.62 1aut n PHE 88 Ca 0.03 -0.55 -0.10 0.00 1.01 0.00 0.00 57.45 57.84 1aut n PHE 88 Cb 0.12 -0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 39.47 1aut n PHE 88 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1aut h GLN 90 N 0.00 0.00 -6.26 0.00 -0.00 -1.80 -3.40 115.11 103.65 1aut h GLN 90 Ca -0.23 0.00 -0.57 0.00 -0.00 0.00 0.00 58.65 57.85 1aut h GLN 90 Cb 0.95 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.39 1aut h GLN 90 CO 0.30 0.00 -0.12 1.03 -0.00 0.00 0.00 178.83 180.04 1aut s ARG 91 N -3.23 3.94 -0.11 0.06 0.52 0.75 -4.93 118.95 115.94 1aut s ARG 91 Ca 0.06 0.43 -0.04 0.00 -0.52 0.00 0.00 55.73 55.66 1aut s ARG 91 Cb 0.06 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 1aut s ARG 91 CO 0.69 0.51 0.03 -2.00 0.02 0.00 0.00 175.30 174.56 1aut s GLU 92 N -1.88 3.24 -0.04 3.54 2.12 -1.26 0.38 118.70 124.81 1aut s GLU 92 Ca 0.36 -0.35 -0.02 0.00 0.36 0.00 0.00 54.97 55.32 1aut s GLU 92 Cb -0.15 -2.93 0.02 0.00 0.26 0.00 0.00 34.13 31.33 1aut s GLU 92 CO 0.19 0.64 0.08 0.54 -0.54 0.00 0.00 175.26 176.17 1aut s VAL 93 N -0.68 -0.03 0.18 3.70 0.11 0.42 -4.49 120.40 119.61 1aut s VAL 93 Ca 0.11 0.11 -0.22 0.00 -2.93 0.00 0.00 61.98 59.05 1aut s VAL 93 Cb -0.12 -0.14 -0.08 0.00 -1.53 0.00 0.00 36.38 34.51 1aut s VAL 93 CO 0.02 0.05 0.74 -0.94 -3.33 0.00 0.00 175.10 171.64 1aut s SER 94 N 0.65 7.22 0.00 3.54 1.04 -1.15 -4.08 113.70 120.93 1aut s SER 94 Ca -0.05 1.52 0.00 0.00 0.48 0.00 0.00 55.95 57.90 1aut s SER 94 Cb -0.07 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1aut s SER 94 CO -0.03 0.14 0.38 2.22 0.98 0.00 0.00 173.24 176.93 1aut n PHE 95 N 1.23 0.00 0.03 5.02 -1.74 -1.26 -4.12 117.46 116.62 1aut n PHE 95 Ca -0.05 -0.02 0.07 0.00 -0.56 0.00 0.00 57.45 56.89 1aut n PHE 95 Cb 0.50 -0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.39 1aut n PHE 95 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1aut n LEU 96 N -0.02 0.04 -4.05 5.98 4.77 -1.26 -3.59 117.00 118.87 1aut n LEU 96 Ca 0.00 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 1aut n LEU 96 Cb 0.09 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1aut n LEU 96 CO 0.00 0.01 0.09 0.54 -1.33 0.00 0.00 177.39 176.70 1aut s ASN 97 N -3.49 0.11 -0.32 -1.43 2.20 -1.26 -3.38 114.94 107.37 1aut s ASN 97 Ca -0.04 -1.11 0.06 0.00 -0.94 0.00 0.00 52.86 50.83 1aut s ASN 97 Cb 0.09 0.56 0.61 0.00 -2.00 0.00 0.00 41.25 40.51 1aut s ASN 97 CO 0.56 -1.11 1.70 0.00 -2.94 0.00 0.00 177.10 175.32 1aut h SER 99 N 1.74 0.00 -3.22 0.00 4.64 -1.94 -3.38 113.55 111.39 1aut h SER 99 Ca 0.35 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 61.00 1aut h SER 99 Cb 2.30 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 64.07 1aut h SER 99 CO 0.76 0.51 -0.82 -0.76 -0.87 0.00 0.00 176.83 175.65 1aut s LEU 100 N -6.72 2.38 -1.52 5.97 1.43 -1.26 -4.73 118.68 114.22 1aut s LEU 100 Ca 0.02 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 1aut s LEU 100 Cb 0.09 -1.54 0.06 0.00 0.03 0.00 0.00 46.19 44.82 1aut s LEU 100 CO 0.73 0.04 0.53 -0.67 0.23 0.00 0.00 176.35 177.22 1aut n ASP 101 N 4.33 -1.40 -3.19 2.29 2.03 -1.26 -1.08 116.55 118.27 1aut n ASP 101 Ca -0.20 -1.02 -0.20 0.00 0.52 0.00 0.00 54.79 53.89 1aut n ASP 101 Cb 0.51 -2.88 -0.01 0.00 -0.72 0.00 0.00 41.12 38.02 1aut n ASP 101 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1aut n ASN 102 N -2.86 -3.41 0.00 1.67 5.15 -1.26 -0.36 115.26 114.18 1aut n ASN 102 Ca -0.17 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.56 1aut n ASN 102 Cb 0.62 -2.86 0.00 0.00 -0.53 0.00 0.00 39.78 37.01 1aut n ASN 102 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1aut n GLY 103 N -1.05 0.58 0.38 8.20 0.00 -0.24 -1.51 105.19 111.56 1aut n GLY 103 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1aut n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aut n GLY 104 N -1.92 1.66 3.76 -0.02 0.00 0.51 -4.66 105.19 104.52 1aut n GLY 104 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1aut n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aut h THR 106 N 1.60 1.22 0.00 0.00 2.02 -1.63 -3.45 112.91 112.66 1aut h THR 106 Ca -0.50 -2.89 0.00 0.00 0.77 0.00 0.00 66.41 63.79 1aut h THR 106 Cb 1.27 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 1aut h THR 106 CO 0.58 0.70 0.00 1.41 0.37 0.00 0.00 175.52 178.58 1aut n HIS 107 N -3.20 0.00 -3.96 3.16 -0.00 -1.26 -4.96 115.22 105.00 1aut n HIS 107 Ca -0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.32 1aut n HIS 107 Cb 0.93 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.83 1aut n HIS 107 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1aut s TYR 108 N 0.00 3.35 -0.18 4.41 2.02 -1.02 -5.00 117.35 120.93 1aut s TYR 108 Ca 0.00 0.24 -0.02 0.00 -0.37 0.00 0.00 57.07 56.92 1aut s TYR 108 Cb 0.00 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 1aut s TYR 108 CO 0.00 0.35 -0.09 0.00 -1.57 0.00 0.00 175.55 174.23 1aut s LEU 110 N 0.96 2.51 -0.21 0.00 1.43 -0.21 -4.99 118.68 118.17 1aut s LEU 110 Ca -0.01 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.39 1aut s LEU 110 Cb -0.15 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1aut s LEU 110 CO -0.01 0.05 0.66 -1.61 0.23 0.00 0.00 176.35 175.67 1aut s GLU 111 N 1.02 4.20 0.00 1.70 2.02 -1.26 -0.60 118.70 125.78 1aut s GLU 111 Ca -0.01 0.65 0.00 0.00 0.02 0.00 0.00 54.97 55.63 1aut s GLU 111 Cb -0.15 -3.60 0.00 0.00 0.10 0.00 0.00 34.13 30.49 1aut s GLU 111 CO -0.03 -0.30 0.00 0.39 0.02 0.00 0.00 175.26 175.34 1aut n GLU 112 N 5.25 2.04 0.22 1.61 -0.58 0.15 -4.98 120.64 124.35 1aut n GLU 112 Ca -0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1aut n GLU 112 Cb 0.49 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.32 1aut n GLU 112 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1aut h VAL 113 N -0.06 0.03 -0.39 2.62 2.07 -1.97 -3.37 116.25 115.18 1aut h VAL 113 Ca 0.00 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1aut h VAL 113 Cb 0.00 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1aut h VAL 113 CO 0.00 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.21 1aut n GLY 114 N 0.18 1.81 3.81 2.17 0.00 -1.26 -5.01 105.19 106.89 1aut n GLY 114 Ca -0.08 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 1aut n GLY 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1aut s TRP 115 N -1.23 0.15 0.12 1.61 -2.14 -1.23 -4.78 118.94 111.44 1aut s TRP 115 Ca 0.34 -0.83 0.10 0.00 2.66 0.00 0.00 56.10 58.37 1aut s TRP 115 Cb 0.19 0.84 -0.04 0.00 -3.10 0.00 0.00 33.47 31.37 1aut s TRP 115 CO 0.26 -1.55 -0.25 -0.98 -2.66 0.00 0.00 176.95 171.78 1aut s ARG 116 N -2.12 1.29 -0.01 3.25 1.04 -1.22 0.33 118.95 121.52 1aut s ARG 116 Ca 0.17 -1.28 0.02 0.00 -1.04 0.00 0.00 55.73 53.60 1aut s ARG 116 Cb -0.05 -1.70 -0.00 0.00 -2.04 0.00 0.00 34.95 31.16 1aut s ARG 116 CO 0.11 0.40 -0.06 -0.98 -0.04 0.00 0.00 175.30 174.73 1aut s ARG 117 N -2.01 0.58 0.44 3.89 1.70 0.23 -4.92 118.95 118.86 1aut s ARG 117 Ca 0.11 -0.22 -0.08 0.00 -0.47 0.00 0.00 55.73 55.06 1aut s ARG 117 Cb -0.10 -0.56 -0.05 0.00 -0.57 0.00 0.00 34.95 33.66 1aut s ARG 117 CO 0.05 0.12 0.78 0.00 -1.08 0.00 0.00 175.30 175.17 1aut s SER 119 N -3.55 1.24 0.10 0.00 1.04 -0.11 -4.93 113.70 107.50 1aut s SER 119 Ca 0.50 -1.63 0.04 0.00 0.48 0.00 0.00 55.95 55.34 1aut s SER 119 Cb -0.10 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1aut s SER 119 CO 0.37 -1.06 -0.11 0.00 0.98 0.00 0.00 173.24 173.42 1aut s ALA 121 N -2.28 3.09 -0.40 0.00 0.00 -1.26 -4.85 121.76 116.05 1aut s ALA 121 Ca 0.06 0.92 -0.44 0.00 0.00 0.00 0.00 51.96 52.51 1aut s ALA 121 Cb -0.04 -3.37 -0.18 0.00 0.00 0.00 0.00 23.12 19.54 1aut s ALA 121 CO 0.01 -0.53 1.69 -2.30 0.00 0.00 0.00 175.76 174.63 1aut n PRO 122 N -0.11 0.55 0.00 0.00 -0.02 -1.26 -1.44 135.00 132.72 1aut n PRO 122 Ca 0.05 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1aut n PRO 122 Cb 0.47 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1aut n PRO 122 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aut n GLY 123 N 4.24 0.59 3.44 -1.23 0.00 -1.26 -4.47 105.19 106.50 1aut n GLY 123 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 1aut n GLY 123 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aut s TYR 124 N -2.00 2.45 0.22 1.61 1.51 -0.52 0.48 117.35 121.11 1aut s TYR 124 Ca 0.00 -0.31 0.10 0.00 -1.01 0.00 0.00 57.07 55.85 1aut s TYR 124 Cb 0.00 -1.33 -0.05 0.00 -0.11 0.00 0.00 41.96 40.47 1aut s TYR 124 CO 0.00 0.33 -0.19 0.15 -1.11 0.00 0.00 175.55 174.73 1aut s LYS 125 N -1.96 1.50 -0.01 -0.62 1.02 0.73 -4.69 119.74 115.71 1aut s LYS 125 Ca 0.16 -1.61 -0.20 0.00 0.02 0.00 0.00 55.97 54.33 1aut s LYS 125 Cb -0.10 -1.56 -0.05 0.00 -0.52 0.00 0.00 37.83 35.59 1aut s LYS 125 CO 0.08 0.30 0.59 -1.17 -0.92 0.00 0.00 175.35 174.22 1aut s LEU 126 N -3.14 4.40 0.00 3.17 2.96 -1.26 -0.14 118.68 124.67 1aut s LEU 126 Ca 0.24 1.13 -0.20 0.00 -0.22 0.00 0.00 54.13 55.08 1aut s LEU 126 Cb -0.05 -2.90 0.30 0.00 0.50 0.00 0.00 46.19 44.03 1aut s LEU 126 CO 0.11 0.09 1.03 0.61 -1.32 0.00 0.00 176.35 176.87 1aut n GLY 127 N 2.51 -2.84 0.00 7.98 0.00 0.18 -4.86 105.19 108.15 1aut n GLY 127 Ca -0.07 -1.48 0.09 0.00 0.00 0.00 0.00 46.02 44.56 1aut n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aut n ASP 128 N -4.85 0.00 0.17 1.61 9.92 -1.26 -2.16 116.55 119.97 1aut n ASP 128 Ca 0.14 0.42 0.03 0.00 -0.53 0.00 0.00 54.79 54.85 1aut n ASP 128 Cb 0.56 -0.46 0.25 0.00 -0.64 0.00 0.00 41.12 40.83 1aut n ASP 128 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1aut h ASP 129 N 0.00 0.00 -0.20 -2.24 3.58 -1.90 -3.47 116.42 112.20 1aut h ASP 129 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1aut h ASP 129 Cb 0.29 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 1aut h ASP 129 CO 0.00 0.48 -0.08 0.18 -2.88 0.00 0.00 179.24 176.94 1aut n LEU 130 N -3.59 0.13 0.00 2.28 4.77 -0.92 -4.72 117.00 114.95 1aut n LEU 130 Ca -0.00 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1aut n LEU 130 Cb 0.57 -1.82 0.00 0.00 -2.33 0.00 0.00 43.42 39.84 1aut n LEU 130 CO 0.39 -0.64 -0.24 0.18 -1.33 0.00 0.00 177.39 175.75 1aut n LEU 131 N -0.47 1.43 -4.81 2.23 4.77 -1.26 -4.37 117.00 114.52 1aut n LEU 131 Ca -0.04 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.57 1aut n LEU 131 Cb 0.35 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1aut n LEU 131 CO 0.06 0.24 0.39 -1.10 -1.33 0.00 0.00 177.39 175.65 1aut s GLN 132 N -1.48 4.27 -0.13 3.23 -0.21 -1.26 -1.73 119.66 122.36 1aut s GLN 132 Ca 0.00 0.86 -0.02 0.00 0.02 0.00 0.00 55.36 56.23 1aut s GLN 132 Cb 0.00 -3.00 -0.02 0.00 1.00 0.00 0.00 33.01 30.98 1aut s GLN 132 CO 0.00 0.47 -0.08 0.00 -2.12 0.00 0.00 175.29 173.56 1aut s HIS 134 N 0.11 1.83 0.33 0.00 0.09 0.80 -4.89 115.29 113.56 1aut s HIS 134 Ca -0.03 -0.43 -0.29 0.00 -0.00 0.00 0.00 55.06 54.31 1aut s HIS 134 Cb -0.14 -0.98 -0.12 0.00 -0.00 0.00 0.00 32.58 31.35 1aut s HIS 134 CO 0.03 0.24 1.52 -2.30 -0.00 0.00 0.00 174.74 174.24 1aut n PRO 135 N 0.89 2.62 -0.00 8.40 -0.02 -1.26 -0.19 135.00 145.43 1aut n PRO 135 Ca -0.18 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1aut n PRO 135 Cb 0.54 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1aut n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aut n ALA 136 N 1.29 2.47 -2.45 3.55 0.00 0.18 -4.74 120.51 120.82 1aut n ALA 136 Ca 0.05 -0.53 -0.22 0.00 0.00 0.00 0.00 53.44 52.74 1aut n ALA 136 Cb 0.37 -0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.70 1aut n ALA 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1aut s VAL 137 N -0.11 0.91 0.12 0.00 -7.23 -1.15 -4.98 120.40 107.96 1aut s VAL 137 Ca 0.01 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.10 1aut s VAL 137 Cb 0.01 -2.63 -0.17 0.00 0.56 0.00 0.00 36.38 34.15 1aut s VAL 137 CO 0.01 0.00 1.31 0.50 -0.31 0.00 0.00 175.10 176.61 1aut h LYS 138 N 2.05 0.60 -2.78 4.82 3.11 -1.96 -3.38 116.57 119.02 1aut h LYS 138 Ca -0.39 -0.55 -0.61 0.00 -2.81 0.00 0.00 60.65 56.29 1aut h LYS 138 Cb 1.25 0.14 -0.41 0.00 -1.00 0.00 0.00 32.23 32.21 1aut h LYS 138 CO 0.64 1.17 -0.68 1.19 -2.81 0.00 0.00 179.45 178.97 1aut n PHE 139 N -3.85 2.33 -1.46 1.91 3.72 -1.26 -5.10 117.46 113.75 1aut n PHE 139 Ca -0.07 -4.07 -0.32 0.00 -0.05 0.00 0.00 57.45 52.94 1aut n PHE 139 Cb 0.79 -0.43 0.07 0.00 -0.94 0.00 0.00 39.48 38.97 1aut n PHE 139 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1aut s PRO 140 N -1.29 2.48 0.67 -1.08 0.04 -1.26 -5.02 135.00 129.54 1aut s PRO 140 Ca 0.29 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 1aut s PRO 140 Cb 0.01 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1aut s PRO 140 CO -0.15 -1.48 1.05 0.00 0.04 0.00 0.00 177.00 176.46 1aut n GLY 142 N -2.12 1.25 2.83 0.00 0.00 -1.26 -4.93 105.19 100.97 1aut n GLY 142 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1aut n GLY 142 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1aut s ARG 143 N -3.10 1.01 0.58 1.61 3.52 -1.25 -5.13 118.95 116.19 1aut s ARG 143 Ca 0.00 -1.27 -0.13 0.00 -0.13 0.00 0.00 55.73 54.19 1aut s ARG 143 Cb 0.00 -2.40 -0.05 0.00 -1.56 0.00 0.00 34.95 30.94 1aut s ARG 143 CO 0.00 -0.93 1.02 -1.25 -0.81 0.00 0.00 175.30 173.33 1aut s PRO 144 N 1.40 3.67 -1.14 5.12 0.04 -1.26 -4.84 135.00 138.00 1aut s PRO 144 Ca 0.08 0.87 -0.10 0.00 0.04 0.00 0.00 61.00 61.89 1aut s PRO 144 Cb -0.18 -2.09 0.26 0.00 0.04 0.00 0.00 34.50 32.53 1aut s PRO 144 CO -0.18 -0.50 1.18 0.91 0.04 0.00 0.00 177.00 178.45 1aut n TRP 145 N -2.29 5.23 1.73 0.56 8.01 -1.26 -5.20 117.44 124.22 1aut n TRP 145 Ca 0.06 -3.82 0.15 0.00 -1.31 0.00 0.00 57.50 52.59 1aut n TRP 145 Cb 0.54 -1.80 0.72 0.00 -2.01 0.00 0.00 31.31 28.76 1aut n TRP 145 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31