#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tyr n PRO 2 N 0.00 3.95 0.00 1.61 -0.04 -1.26 -5.06 135.00 134.19 1tyr n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1tyr n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1tyr n PRO 2 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1tyr n THR 3 N 0.00 0.00 -0.30 0.52 5.66 -1.25 -4.69 114.28 114.23 1tyr n THR 3 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1tyr n THR 3 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1tyr n THR 3 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tyr n GLY 4 N 0.00 3.27 2.64 1.09 0.00 0.86 -4.31 105.19 108.74 1tyr n GLY 4 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 1tyr n GLY 4 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tyr n THR 5 N 0.00 0.27 -0.69 2.61 -2.24 -0.84 -4.71 114.28 108.68 1tyr n THR 5 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1tyr n THR 5 Cb 0.00 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 1tyr n THR 5 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tyr n GLY 6 N 3.34 -3.83 3.62 3.38 0.00 -1.25 -4.44 105.19 106.00 1tyr n GLY 6 Ca 0.04 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1tyr n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tyr s GLU 7 N -4.20 3.96 0.00 1.61 2.12 -1.26 -3.50 118.70 117.43 1tyr s GLU 7 Ca 0.00 0.66 0.00 0.00 0.36 0.00 0.00 54.97 55.99 1tyr s GLU 7 Cb 0.00 -3.74 0.00 0.00 0.26 0.00 0.00 34.13 30.65 1tyr s GLU 7 CO 0.00 -0.74 0.00 0.45 -0.54 0.00 0.00 175.26 174.43 1tyr n SER 8 N 6.36 0.00 0.00 -1.70 2.88 -1.26 -5.01 113.62 114.89 1tyr n SER 8 Ca 0.05 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.71 1tyr n SER 8 Cb 0.48 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.52 1tyr n SER 8 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1tyr n LYS 9 N 0.00 0.31 -2.40 -1.46 4.81 -1.26 -4.95 118.16 113.20 1tyr n LYS 9 Ca 0.00 0.07 -0.02 0.00 -0.87 0.00 0.00 58.31 57.49 1tyr n LYS 9 Cb 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.55 1tyr n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1tyr h PRO 11 N 0.66 0.00 -3.62 0.00 0.13 -1.89 -3.44 132.00 123.84 1tyr h PRO 11 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 1tyr h PRO 11 Cb 0.84 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.64 1tyr h PRO 11 CO 0.16 0.00 -0.74 -1.17 -0.23 0.00 0.00 178.00 176.02 1tyr s LEU 12 N -5.59 1.14 0.07 1.56 2.96 -1.26 -1.63 118.68 115.92 1tyr s LEU 12 Ca 0.07 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1tyr s LEU 12 Cb 0.08 -0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.61 1tyr s LEU 12 CO 0.62 -0.11 -0.09 -0.32 -1.32 0.00 0.00 176.35 175.13 1tyr s MET 13 N 1.02 0.68 -0.01 1.98 1.75 -0.65 -4.53 119.30 119.54 1tyr s MET 13 Ca -0.09 -0.96 0.05 0.00 -1.25 0.00 0.00 55.69 53.44 1tyr s MET 13 Cb -0.13 -0.41 -0.01 0.00 2.84 0.00 0.00 34.83 37.12 1tyr s MET 13 CO -0.02 0.07 -0.16 0.08 -0.65 0.00 0.00 175.02 174.33 1tyr s VAL 14 N -1.92 1.26 -0.02 10.11 1.01 -0.96 -1.05 120.40 128.84 1tyr s VAL 14 Ca -0.02 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1tyr s VAL 14 Cb -0.06 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1tyr s VAL 14 CO -0.00 0.36 -0.08 -0.75 0.00 0.00 0.00 175.10 174.62 1tyr s LYS 15 N -0.34 0.83 -0.08 2.72 2.20 -0.58 -1.61 119.74 122.88 1tyr s LYS 15 Ca 0.05 -0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.39 1tyr s LYS 15 Cb -0.07 -0.79 0.02 0.00 -1.51 0.00 0.00 37.83 35.48 1tyr s LYS 15 CO -0.00 0.13 -0.11 0.08 -0.36 0.00 0.00 175.35 175.08 1tyr s VAL 16 N 0.07 1.16 0.21 4.02 1.01 -0.42 -1.36 120.40 125.10 1tyr s VAL 16 Ca -0.01 -0.46 0.11 0.00 0.00 0.00 0.00 61.98 61.62 1tyr s VAL 16 Cb -0.07 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1tyr s VAL 16 CO 0.00 0.37 -0.18 -0.76 0.00 0.00 0.00 175.10 174.53 1tyr s LEU 17 N 0.98 2.66 -0.37 3.92 1.43 0.74 -0.58 118.68 127.45 1tyr s LEU 17 Ca -0.08 -0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 52.12 1tyr s LEU 17 Cb -0.15 -1.31 0.05 0.00 0.03 0.00 0.00 46.19 44.81 1tyr s LEU 17 CO -0.00 0.09 0.18 -0.62 0.23 0.00 0.00 176.35 176.23 1tyr s ASP 18 N -2.97 5.51 0.17 2.29 -1.08 0.13 -0.65 116.67 120.08 1tyr s ASP 18 Ca 0.25 -1.25 0.25 0.00 -0.52 0.00 0.00 52.55 51.28 1tyr s ASP 18 Cb -0.07 -1.94 0.91 0.00 -1.46 0.00 0.00 42.92 40.36 1tyr s ASP 18 CO 0.13 -0.41 1.77 0.00 0.52 0.00 0.00 175.17 177.17 1tyr n ALA 19 N 4.88 2.10 0.00 3.66 0.00 -0.70 -1.15 120.51 129.30 1tyr n ALA 19 Ca -0.11 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 1tyr n ALA 19 Cb 0.44 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 1tyr n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tyr h VAL 20 N 0.00 1.07 -0.01 0.00 2.07 -1.95 -3.39 116.25 114.04 1tyr h VAL 20 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1tyr h VAL 20 Cb 0.57 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1tyr h VAL 20 CO 0.00 0.68 -0.47 0.54 0.02 0.00 0.00 177.57 178.34 1tyr n ARG 21 N -3.98 1.55 -2.95 1.57 1.74 -1.23 -4.98 116.66 108.38 1tyr n ARG 21 Ca -0.24 -0.64 -0.10 0.00 -0.77 0.00 0.00 57.85 56.09 1tyr n ARG 21 Cb 0.87 -1.31 0.03 0.00 -1.02 0.00 0.00 32.46 31.03 1tyr n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tyr n GLY 22 N 1.26 0.31 3.25 -0.13 0.00 -0.30 -5.03 105.19 104.55 1tyr n GLY 22 Ca 0.06 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1tyr n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tyr s SER 23 N -3.12 0.16 0.53 1.61 1.04 -1.08 -5.01 113.70 107.83 1tyr s SER 23 Ca 0.25 -1.34 -0.19 0.00 0.48 0.00 0.00 55.95 55.15 1tyr s SER 23 Cb -0.11 0.41 -0.06 0.00 0.10 0.00 0.00 66.02 66.36 1tyr s SER 23 CO 0.30 -0.89 1.07 -2.84 0.98 0.00 0.00 173.24 171.87 1tyr s PRO 24 N -4.12 3.54 -0.49 4.02 0.02 -1.26 -0.69 135.00 136.02 1tyr s PRO 24 Ca 0.37 1.41 -0.21 0.00 0.02 0.00 0.00 61.00 62.58 1tyr s PRO 24 Cb 0.06 -2.05 0.04 0.00 0.02 0.00 0.00 34.50 32.57 1tyr s PRO 24 CO 0.12 -0.66 0.72 0.00 -0.33 0.00 0.00 177.00 176.85 1tyr s ALA 25 N -2.02 3.31 0.12 -1.55 0.00 0.25 -4.63 121.76 117.24 1tyr s ALA 25 Ca 0.68 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 1tyr s ALA 25 Cb -0.19 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 1tyr s ALA 25 CO 0.26 -2.03 0.37 0.42 0.00 0.00 0.00 175.76 174.78 1tyr s ILE 26 N 3.05 5.17 -1.50 0.00 1.01 -1.26 -4.33 121.20 123.34 1tyr s ILE 26 Ca 0.22 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.94 1tyr s ILE 26 Cb -0.16 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1tyr s ILE 26 CO 0.16 0.11 0.41 0.59 0.00 0.00 0.00 174.94 176.21 1tyr n ASN 27 N 0.31 -5.73 -4.74 3.58 5.03 -0.39 -4.93 115.26 108.39 1tyr n ASN 27 Ca -0.04 -0.20 -0.38 0.00 0.87 0.00 0.00 54.58 54.84 1tyr n ASN 27 Cb 0.52 -4.61 -0.06 0.00 -1.02 0.00 0.00 39.78 34.60 1tyr n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1tyr s VAL 28 N -3.09 5.20 0.14 2.41 1.01 -1.26 -4.75 120.40 120.06 1tyr s VAL 28 Ca 0.20 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.73 1tyr s VAL 28 Cb -0.09 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 1tyr s VAL 28 CO 0.25 0.37 1.01 0.00 0.00 0.00 0.00 175.10 176.72 1tyr s ALA 29 N 0.40 3.29 -0.05 5.51 0.00 -1.26 -1.53 121.76 128.12 1tyr s ALA 29 Ca 0.24 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.89 1tyr s ALA 29 Cb -0.15 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1tyr s ALA 29 CO 0.09 -0.07 -0.15 0.08 0.00 0.00 0.00 175.76 175.71 1tyr s VAL 30 N -0.15 1.31 0.01 0.00 1.01 0.40 -0.86 120.40 122.12 1tyr s VAL 30 Ca 0.47 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.89 1tyr s VAL 30 Cb -0.25 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1tyr s VAL 30 CO 0.32 0.39 -0.21 -1.00 0.00 0.00 0.00 175.10 174.59 1tyr s HIS 31 N 0.24 1.90 0.11 5.22 3.76 -0.53 -1.21 115.29 124.78 1tyr s HIS 31 Ca -0.07 -0.37 0.09 0.00 -0.15 0.00 0.00 55.06 54.56 1tyr s HIS 31 Cb -0.13 -1.19 -0.04 0.00 1.11 0.00 0.00 32.58 32.34 1tyr s HIS 31 CO 0.03 0.02 -0.22 0.08 -0.85 0.00 0.00 174.74 173.80 1tyr s VAL 32 N -0.63 1.84 0.05 -0.90 1.01 0.35 -1.14 120.40 120.98 1tyr s VAL 32 Ca 0.08 -1.60 -0.06 0.00 0.00 0.00 0.00 61.98 60.40 1tyr s VAL 32 Cb -0.09 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1tyr s VAL 32 CO 0.00 -0.03 0.12 -0.36 0.00 0.00 0.00 175.10 174.83 1tyr s PHE 33 N -1.15 0.21 -0.07 5.22 0.40 0.28 -2.05 117.98 120.81 1tyr s PHE 33 Ca 0.08 -0.56 0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1tyr s PHE 33 Cb -0.10 -0.14 -0.02 0.00 0.51 0.00 0.00 43.02 43.27 1tyr s PHE 33 CO 0.05 -0.42 -0.14 0.50 0.70 0.00 0.00 175.22 175.90 1tyr s ARG 34 N -3.08 2.78 0.08 0.44 3.52 -0.40 -0.67 118.95 121.61 1tyr s ARG 34 Ca -0.01 -0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 1tyr s ARG 34 Cb 0.02 -2.44 -0.05 0.00 -1.56 0.00 0.00 34.95 30.91 1tyr s ARG 34 CO -0.07 0.48 1.04 0.21 -0.81 0.00 0.00 175.30 176.15 1tyr s LYS 35 N -0.37 4.59 0.23 5.12 2.20 0.24 -1.28 119.74 130.48 1tyr s LYS 35 Ca 0.04 1.55 -0.02 0.00 -0.36 0.00 0.00 55.97 57.18 1tyr s LYS 35 Cb -0.12 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1tyr s LYS 35 CO 0.02 0.02 0.44 0.00 -0.36 0.00 0.00 175.35 175.47 1tyr s ALA 36 N 0.46 3.77 0.43 3.13 0.00 -0.26 -4.75 121.76 124.55 1tyr s ALA 36 Ca 0.51 -0.76 0.29 0.00 0.00 0.00 0.00 51.96 52.00 1tyr s ALA 36 Cb -0.25 -2.08 1.41 0.00 0.00 0.00 0.00 23.12 22.20 1tyr s ALA 36 CO 0.30 0.36 1.62 0.00 0.00 0.00 0.00 175.76 178.05 1tyr h ALA 37 N 1.86 2.67 -0.11 0.00 0.00 -1.96 3.89 119.26 125.62 1tyr h ALA 37 Ca -0.48 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1tyr h ALA 37 Cb 1.19 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1tyr h ALA 37 CO 0.67 -1.31 0.00 -0.40 0.00 0.00 0.00 179.25 178.21 1tyr n ASP 38 N -4.73 0.67 -0.70 0.00 5.75 -1.26 -4.86 116.55 111.41 1tyr n ASP 38 Ca 0.37 -1.87 -0.09 0.00 -0.01 0.00 0.00 54.79 53.19 1tyr n ASP 38 Cb 1.40 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 41.38 1tyr n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1tyr n ASP 39 N -0.19 -4.51 -4.94 -1.12 8.00 1.28 -5.00 116.55 110.06 1tyr n ASP 39 Ca 0.07 0.23 -0.20 0.00 0.71 0.00 0.00 54.79 55.60 1tyr n ASP 39 Cb 0.12 -2.82 -0.00 0.00 -0.02 0.00 0.00 41.12 38.40 1tyr n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1tyr s THR 40 N -2.20 2.67 -0.10 -3.53 -4.23 -1.22 -4.75 115.64 102.28 1tyr s THR 40 Ca 0.00 -1.19 -0.10 0.00 -1.18 0.00 0.00 61.69 59.22 1tyr s THR 40 Cb 0.00 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 1tyr s THR 40 CO 0.00 0.00 0.22 0.26 -0.54 0.00 0.00 174.62 174.56 1tyr s TRP 41 N -2.46 3.61 -0.06 3.99 0.52 -1.26 -1.10 118.94 122.17 1tyr s TRP 41 Ca 0.51 0.63 0.01 0.00 0.02 0.00 0.00 56.10 57.28 1tyr s TRP 41 Cb -0.06 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.15 1tyr s TRP 41 CO 0.31 0.64 -0.07 -2.00 0.02 0.00 0.00 176.95 175.84 1tyr s GLU 42 N -0.80 2.73 0.48 4.98 2.12 -0.40 -4.93 118.70 122.88 1tyr s GLU 42 Ca 0.17 -0.56 -0.24 0.00 0.36 0.00 0.00 54.97 54.70 1tyr s GLU 42 Cb -0.13 -2.58 -0.07 0.00 0.26 0.00 0.00 34.13 31.61 1tyr s GLU 42 CO 0.06 0.66 1.32 -2.14 -0.54 0.00 0.00 175.26 174.62 1tyr s PRO 43 N -0.85 3.55 0.02 4.30 0.02 -1.26 -1.27 135.00 139.51 1tyr s PRO 43 Ca 0.13 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1tyr s PRO 43 Cb -0.11 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 31.94 1tyr s PRO 43 CO 0.02 -0.83 0.00 0.34 -0.33 0.00 0.00 177.00 176.19 1tyr n PHE 44 N -0.51 -0.10 -3.73 6.54 7.35 -0.87 -4.73 117.46 121.41 1tyr n PHE 44 Ca 0.07 0.02 -0.09 0.00 -0.76 0.00 0.00 57.45 56.69 1tyr n PHE 44 Cb 0.45 0.19 -0.03 0.00 0.35 0.00 0.00 39.48 40.43 1tyr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tyr s ALA 45 N -2.00 -1.11 0.20 3.13 0.00 -1.23 -4.73 121.76 116.02 1tyr s ALA 45 Ca 0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 1tyr s ALA 45 Cb 0.00 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.05 1tyr s ALA 45 CO 0.00 -0.88 0.92 -1.54 0.00 0.00 0.00 175.76 174.26 1tyr s SER 46 N -2.87 -0.15 0.00 0.00 1.04 -1.26 -0.50 113.70 109.95 1tyr s SER 46 Ca 0.09 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1tyr s SER 46 Cb -0.03 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1tyr s SER 46 CO -0.01 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.77 1tyr n GLY 47 N -0.50 -1.96 3.18 7.32 0.00 -0.35 -4.18 105.19 108.70 1tyr n GLY 47 Ca -0.05 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 1tyr n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tyr s LYS 48 N -1.76 1.65 0.58 1.61 1.02 -1.26 -0.45 119.74 121.12 1tyr s LYS 48 Ca 0.00 -0.67 -0.20 0.00 0.02 0.00 0.00 55.97 55.13 1tyr s LYS 48 Cb 0.00 -1.53 -0.04 0.00 -0.52 0.00 0.00 37.83 35.74 1tyr s LYS 48 CO 0.00 0.36 1.24 0.95 -0.92 0.00 0.00 175.35 176.98 1tyr s THR 49 N -0.30 2.53 0.00 2.17 -4.23 -0.58 -4.78 115.64 110.45 1tyr s THR 49 Ca 0.04 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 1tyr s THR 49 Cb -0.09 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.60 1tyr s THR 49 CO 0.00 -0.05 0.00 -1.54 -0.54 0.00 0.00 174.62 172.49 1tyr n SER 50 N -1.41 0.00 0.12 3.99 3.41 -0.08 -1.27 113.62 118.38 1tyr n SER 50 Ca 0.13 -0.79 0.18 0.00 -0.26 0.00 0.00 58.87 58.14 1tyr n SER 50 Cb 0.49 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 65.20 1tyr n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tyr h GLU 51 N 0.00 0.00 -0.66 4.33 4.39 -1.93 0.35 114.58 121.06 1tyr h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tyr h GLU 51 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1tyr h GLU 51 CO 0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 1tyr n SER 52 N -3.96 4.58 -0.78 1.42 3.41 -1.26 -4.79 113.62 112.23 1tyr n SER 52 Ca 0.05 -2.36 -0.10 0.00 -0.26 0.00 0.00 58.87 56.20 1tyr n SER 52 Cb 0.47 -0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 1tyr n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tyr n GLY 53 N 1.19 1.15 3.74 5.00 0.00 0.12 -4.83 105.19 111.57 1tyr n GLY 53 Ca 0.25 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1tyr n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tyr s GLU 54 N -2.78 2.68 -0.14 1.61 2.02 -1.26 -1.29 118.70 119.55 1tyr s GLU 54 Ca 0.00 -1.05 -0.04 0.00 0.02 0.00 0.00 54.97 53.90 1tyr s GLU 54 Cb 0.00 -2.48 0.05 0.00 0.10 0.00 0.00 34.13 31.80 1tyr s GLU 54 CO 0.00 0.44 0.07 -1.17 0.02 0.00 0.00 175.26 174.62 1tyr s LEU 55 N -3.30 0.44 0.44 1.80 0.20 -0.63 -0.91 118.68 116.72 1tyr s LEU 55 Ca 0.30 -0.44 0.03 0.00 0.69 0.00 0.00 54.13 54.72 1tyr s LEU 55 Cb -0.09 -0.29 -0.03 0.00 -0.43 0.00 0.00 46.19 45.35 1tyr s LEU 55 CO 0.22 -0.31 0.04 -1.00 -0.29 0.00 0.00 176.35 175.02 1tyr s HIS 56 N 2.09 1.98 -1.43 5.38 3.76 -1.26 -2.26 115.29 123.55 1tyr s HIS 56 Ca 0.02 -0.99 -0.07 0.00 -0.15 0.00 0.00 55.06 53.88 1tyr s HIS 56 Cb -0.15 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 32.07 1tyr s HIS 56 CO -0.07 0.10 0.93 0.41 -0.85 0.00 0.00 174.74 175.26 1tyr n GLY 57 N -1.04 -0.52 0.11 -2.22 0.00 -1.26 -3.82 105.19 96.44 1tyr n GLY 57 Ca -0.11 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 1tyr n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tyr h LEU 58 N -2.12 0.36 0.00 0.99 3.38 -1.79 0.24 115.31 116.37 1tyr h LEU 58 Ca -0.55 -0.49 -0.17 0.00 0.09 0.00 0.00 57.88 56.76 1tyr h LEU 58 Cb 1.36 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 1tyr h LEU 58 CO 0.56 1.41 0.01 1.07 0.09 0.00 0.00 178.44 181.57 1tyr n THR 59 N -3.44 0.00 -4.28 0.22 5.66 -1.23 -1.98 114.28 109.24 1tyr n THR 59 Ca -0.15 -1.36 -0.15 0.00 -3.05 0.00 0.00 64.05 59.34 1tyr n THR 59 Cb 1.04 0.97 -0.10 0.00 -1.55 0.00 0.00 70.33 70.68 1tyr n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1tyr s THR 60 N -2.56 0.74 0.48 1.09 -4.23 -1.25 -4.24 115.64 105.66 1tyr s THR 60 Ca 0.22 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.86 1tyr s THR 60 Cb -0.02 -2.26 0.28 0.00 1.34 0.00 0.00 72.50 71.83 1tyr s THR 60 CO 0.16 -0.35 2.10 -0.33 -0.54 0.00 0.00 174.62 175.66 1tyr h GLU 61 N 2.59 0.22 -0.44 3.99 5.08 -1.96 -1.86 114.58 122.20 1tyr h GLU 61 Ca -0.37 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 1tyr h GLU 61 Cb 1.22 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1tyr h GLU 61 CO 0.63 0.15 0.04 0.93 -1.00 0.00 0.00 179.01 179.76 1tyr h GLU 62 N 0.23 0.75 -0.06 2.33 4.39 -2.03 -3.27 114.58 116.93 1tyr h GLU 62 Ca 0.08 -0.22 -0.17 0.00 0.34 0.00 0.00 59.36 59.39 1tyr h GLU 62 Cb 0.04 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1tyr h GLU 62 CO -0.02 0.79 -0.71 0.93 -1.16 0.00 0.00 179.01 178.85 1tyr h GLU 63 N 0.60 0.29 -4.28 2.33 5.08 -1.96 -3.40 114.58 113.24 1tyr h GLU 63 Ca 0.13 -0.23 -0.68 0.00 -1.00 0.00 0.00 59.36 57.58 1tyr h GLU 63 Cb 0.42 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.73 1tyr h GLU 63 CO 0.01 0.88 2.67 0.34 -1.00 0.00 0.00 179.01 181.92 1tyr n PHE 64 N -3.81 2.68 -2.73 4.33 7.35 -0.71 -4.94 117.46 119.62 1tyr n PHE 64 Ca -0.03 -2.35 -0.21 0.00 -0.76 0.00 0.00 57.45 54.09 1tyr n PHE 64 Cb 0.69 -2.12 0.07 0.00 0.35 0.00 0.00 39.48 38.47 1tyr n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1tyr s VAL 65 N 4.23 2.40 0.31 -2.13 -7.23 -1.26 -4.96 120.40 111.75 1tyr s VAL 65 Ca 0.53 -0.73 -0.28 0.00 -1.81 0.00 0.00 61.98 59.69 1tyr s VAL 65 Cb 0.14 -2.67 -0.14 0.00 0.56 0.00 0.00 36.38 34.28 1tyr s VAL 65 CO 0.02 0.00 1.04 -0.62 -0.31 0.00 0.00 175.10 175.23 1tyr n GLU 66 N -2.47 1.45 -3.97 4.82 1.02 -1.26 -4.91 120.64 115.32 1tyr n GLU 66 Ca 0.12 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1tyr n GLU 66 Cb 0.60 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1tyr n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tyr n GLY 67 N 1.16 -1.81 3.45 0.62 0.00 -1.04 -4.98 105.19 102.59 1tyr n GLY 67 Ca 0.09 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 1tyr n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tyr s ILE 68 N -2.72 3.89 0.21 -0.61 1.01 -1.26 -0.53 121.20 121.18 1tyr s ILE 68 Ca 0.00 -0.34 0.10 0.00 0.00 0.00 0.00 60.65 60.41 1tyr s ILE 68 Cb 0.00 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1tyr s ILE 68 CO 0.00 0.44 -0.11 -0.31 0.00 0.00 0.00 174.94 174.96 1tyr s TYR 69 N 0.91 2.57 -0.06 3.97 1.51 -0.18 -0.59 117.35 125.47 1tyr s TYR 69 Ca 0.01 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1tyr s TYR 69 Cb -0.14 -1.22 0.02 0.00 -0.11 0.00 0.00 41.96 40.51 1tyr s TYR 69 CO 0.02 0.55 -0.04 0.21 -1.11 0.00 0.00 175.55 175.17 1tyr s LYS 70 N -3.03 0.95 -0.28 -0.62 2.20 0.15 -1.19 119.74 117.92 1tyr s LYS 70 Ca 0.26 -0.10 -0.07 0.00 -0.36 0.00 0.00 55.97 55.69 1tyr s LYS 70 Cb -0.08 -1.02 -0.00 0.00 -1.51 0.00 0.00 37.83 35.22 1tyr s LYS 70 CO 0.15 -0.15 0.09 0.08 -0.36 0.00 0.00 175.35 175.16 1tyr s VAL 71 N 1.25 4.15 -0.18 4.02 1.01 0.02 0.98 120.40 131.65 1tyr s VAL 71 Ca -0.05 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1tyr s VAL 71 Cb -0.14 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1tyr s VAL 71 CO -0.02 0.15 -0.06 -0.70 0.00 0.00 0.00 175.10 174.47 1tyr s GLU 72 N 1.55 3.48 -0.24 2.72 2.12 -0.29 -1.09 118.70 126.94 1tyr s GLU 72 Ca 0.04 -0.60 -0.05 0.00 0.36 0.00 0.00 54.97 54.72 1tyr s GLU 72 Cb -0.17 -2.90 -0.01 0.00 0.26 0.00 0.00 34.13 31.31 1tyr s GLU 72 CO 0.03 0.03 0.00 0.42 -0.54 0.00 0.00 175.26 175.21 1tyr s ILE 73 N 0.88 3.69 -1.23 -3.70 1.01 0.12 -1.45 121.20 120.52 1tyr s ILE 73 Ca -0.01 -0.42 -0.20 0.00 0.00 0.00 0.00 60.65 60.02 1tyr s ILE 73 Cb -0.15 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 1tyr s ILE 73 CO 0.01 0.37 1.86 -0.67 0.00 0.00 0.00 174.94 176.51 1tyr n ASP 74 N 4.84 3.99 0.13 3.58 2.03 -0.04 -1.13 116.55 129.95 1tyr n ASP 74 Ca -0.17 -2.81 -0.01 0.00 0.52 0.00 0.00 54.79 52.31 1tyr n ASP 74 Cb 0.51 -1.70 0.13 0.00 -0.72 0.00 0.00 41.12 39.34 1tyr n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1tyr h THR 75 N 5.60 1.37 -0.83 5.18 1.35 -1.87 -3.20 112.91 120.51 1tyr h THR 75 Ca 0.37 -2.29 -0.04 0.00 -0.55 0.00 0.00 66.41 63.90 1tyr h THR 75 Cb 0.86 2.27 -0.04 0.00 -1.73 0.00 0.00 68.15 69.52 1tyr h THR 75 CO 1.44 0.63 0.37 0.50 -0.25 0.00 0.00 175.52 178.21 1tyr h LYS 76 N 0.00 1.20 -0.09 4.72 3.64 -1.77 -1.28 116.57 122.99 1tyr h LYS 76 Ca -0.01 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.10 1tyr h LYS 76 Cb 1.22 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1tyr h LYS 76 CO 0.08 0.94 -0.34 0.77 -2.27 0.00 0.00 179.45 178.64 1tyr h SER 77 N 1.19 0.17 -0.32 4.20 0.02 -1.87 -2.43 113.55 114.51 1tyr h SER 77 Ca 0.28 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1tyr h SER 77 Cb 0.15 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1tyr h SER 77 CO -0.03 0.51 0.06 0.22 -1.14 0.00 0.00 176.83 176.44 1tyr h TYR 78 N 0.15 0.55 -0.13 3.45 3.20 -1.26 -2.07 116.97 120.86 1tyr h TYR 78 Ca 0.02 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.67 1tyr h TYR 78 Cb 0.67 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1tyr h TYR 78 CO 0.01 0.60 -0.53 -1.49 -1.64 0.00 0.00 178.16 175.10 1tyr h TRP 79 N 0.35 0.48 -0.40 -3.82 4.06 -1.22 -3.00 115.95 112.40 1tyr h TRP 79 Ca 0.10 -0.16 -0.03 0.00 2.06 0.00 0.00 58.89 60.85 1tyr h TRP 79 Cb 0.34 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1tyr h TRP 79 CO 0.02 0.83 0.12 0.87 -3.56 0.00 0.00 178.44 176.73 1tyr h LYS 80 N 0.30 0.57 0.00 0.49 1.57 -1.35 -0.18 116.57 117.96 1tyr h LYS 80 Ca 0.01 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1tyr h LYS 80 Cb 1.03 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 1tyr h LYS 80 CO 0.09 0.50 -0.02 0.00 -0.57 0.00 0.00 179.45 179.45 1tyr h ALA 81 N 1.58 1.03 -0.01 3.86 0.00 -1.23 -1.70 119.26 122.79 1tyr h ALA 81 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1tyr h ALA 81 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1tyr h ALA 81 CO -0.01 0.03 -0.60 1.28 0.00 0.00 0.00 179.25 179.96 1tyr n LEU 82 N -3.17 1.13 0.00 0.00 4.32 -0.24 -4.96 117.00 114.08 1tyr n LEU 82 Ca -0.01 -0.39 0.00 0.00 -0.02 0.00 0.00 56.01 55.59 1tyr n LEU 82 Cb 0.23 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1tyr n LEU 82 CO 0.26 0.24 0.00 0.61 -1.22 0.00 0.00 177.39 177.27 1tyr n GLY 83 N 1.45 0.58 3.66 -0.72 0.00 -0.56 -5.05 105.19 104.54 1tyr n GLY 83 Ca 0.07 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1tyr n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tyr s ILE 84 N -2.00 4.05 -0.29 -0.61 1.09 -0.25 -5.00 121.20 118.19 1tyr s ILE 84 Ca 0.00 -0.56 -0.23 0.00 -1.10 0.00 0.00 60.65 58.76 1tyr s ILE 84 Cb 0.00 -2.76 -0.00 0.00 -1.06 0.00 0.00 42.46 38.63 1tyr s ILE 84 CO 0.00 0.44 0.77 -0.55 -0.10 0.00 0.00 174.94 175.50 1tyr s SER 85 N -1.34 6.68 0.36 3.58 0.15 -1.26 -3.47 113.70 118.40 1tyr s SER 85 Ca 0.17 0.74 0.06 0.00 0.70 0.00 0.00 55.95 57.63 1tyr s SER 85 Cb -0.11 -2.40 -0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1tyr s SER 85 CO 0.07 -0.56 0.51 -2.16 1.20 0.00 0.00 173.24 172.30 1tyr s PRO 86 N 2.87 3.06 -0.17 5.44 0.04 -1.26 -4.91 135.00 140.08 1tyr s PRO 86 Ca 0.32 -1.00 -0.19 0.00 0.04 0.00 0.00 61.00 60.18 1tyr s PRO 86 Cb -0.15 -2.79 -0.15 0.00 0.04 0.00 0.00 34.50 31.46 1tyr s PRO 86 CO 0.11 -0.03 0.25 0.35 0.04 0.00 0.00 177.00 177.72 1tyr h PHE 87 N 0.80 0.00 -4.17 0.56 3.57 -1.65 -3.48 116.94 112.57 1tyr h PHE 87 Ca -0.45 0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.58 1tyr h PHE 87 Cb 1.26 0.00 0.03 0.00 2.79 0.00 0.00 35.95 40.03 1tyr h PHE 87 CO 0.42 0.91 0.37 -1.01 -2.23 0.00 0.00 178.31 176.78 1tyr s HIS 88 N -2.21 3.29 0.09 0.41 3.76 -1.26 -4.98 115.29 114.39 1tyr s HIS 88 Ca -0.20 1.50 -0.10 0.00 -0.15 0.00 0.00 55.06 56.11 1tyr s HIS 88 Cb 0.02 -2.87 -0.20 0.00 1.11 0.00 0.00 32.58 30.64 1tyr s HIS 88 CO 0.47 -0.56 1.21 0.93 -0.85 0.00 0.00 174.74 175.94 1tyr h GLU 89 N 0.93 0.54 -2.38 1.40 4.39 -1.98 -3.39 114.58 114.09 1tyr h GLU 89 Ca -0.47 -0.64 0.19 0.00 0.34 0.00 0.00 59.36 58.78 1tyr h GLU 89 Cb 1.20 0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.99 1tyr h GLU 89 CO 0.60 1.25 0.61 -3.38 -1.16 0.00 0.00 179.01 176.94 1tyr s HIS 90 N -3.16 0.02 -0.10 4.33 -3.43 -1.26 -3.84 115.29 107.84 1tyr s HIS 90 Ca -0.08 -0.35 0.02 0.00 -0.80 0.00 0.00 55.06 53.85 1tyr s HIS 90 Cb 0.07 0.67 -0.01 0.00 -1.43 0.00 0.00 32.58 31.87 1tyr s HIS 90 CO 0.90 -0.80 -0.18 0.00 -2.00 0.00 0.00 174.74 172.67 1tyr s ALA 91 N -2.39 2.46 0.12 -1.38 0.00 -0.28 -4.86 121.76 115.42 1tyr s ALA 91 Ca 0.20 -0.95 0.11 0.00 0.00 0.00 0.00 51.96 51.32 1tyr s ALA 91 Cb -0.02 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1tyr s ALA 91 CO 0.03 0.34 -0.27 -1.21 0.00 0.00 0.00 175.76 174.66 1tyr s GLU 92 N 0.07 1.44 -0.05 0.00 2.02 -1.26 0.10 118.70 121.02 1tyr s GLU 92 Ca -0.07 -1.32 -0.01 0.00 0.02 0.00 0.00 54.97 53.58 1tyr s GLU 92 Cb -0.15 -1.90 0.03 0.00 0.10 0.00 0.00 34.13 32.21 1tyr s GLU 92 CO 0.05 0.45 0.02 0.08 0.02 0.00 0.00 175.26 175.89 1tyr s VAL 93 N -1.03 0.17 -0.15 2.63 1.01 -0.25 -4.97 120.40 117.80 1tyr s VAL 93 Ca 0.14 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1tyr s VAL 93 Cb -0.10 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1tyr s VAL 93 CO 0.06 0.21 -0.21 -0.69 0.00 0.00 0.00 175.10 174.46 1tyr s VAL 94 N 1.85 2.08 0.19 2.92 1.01 -1.26 -0.80 120.40 126.39 1tyr s VAL 94 Ca 0.02 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1tyr s VAL 94 Cb -0.12 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1tyr s VAL 94 CO -0.04 0.55 0.26 0.72 0.00 0.00 0.00 175.10 176.59 1tyr s PHE 95 N 0.92 0.67 -0.12 5.22 -0.71 -0.33 -5.00 117.98 118.63 1tyr s PHE 95 Ca -0.04 -0.99 -0.03 0.00 -1.04 0.00 0.00 56.93 54.82 1tyr s PHE 95 Cb -0.15 -0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.43 1tyr s PHE 95 CO -0.04 -0.74 0.01 0.99 -1.34 0.00 0.00 175.22 174.10 1tyr s THR 96 N -4.05 4.37 -0.25 -4.49 2.01 -1.26 -1.02 115.64 110.96 1tyr s THR 96 Ca 0.26 -0.21 -0.10 0.00 0.31 0.00 0.00 61.69 61.95 1tyr s THR 96 Cb 0.04 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 1tyr s THR 96 CO 0.06 0.56 0.15 0.00 -0.69 0.00 0.00 174.62 174.70 1tyr s ALA 97 N -0.45 3.53 -0.00 7.40 0.00 0.31 -4.98 121.76 127.57 1tyr s ALA 97 Ca 0.08 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.15 1tyr s ALA 97 Cb -0.12 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 1tyr s ALA 97 CO 0.02 -0.31 -0.23 -0.80 0.00 0.00 0.00 175.76 174.44 1tyr s ASN 98 N 1.29 2.73 0.05 0.00 -0.87 -1.26 -2.50 114.94 114.37 1tyr s ASN 98 Ca 0.07 -0.45 -0.20 0.00 -1.57 0.00 0.00 52.86 50.71 1tyr s ASN 98 Cb -0.14 -0.29 -0.13 0.00 -0.02 0.00 0.00 41.25 40.67 1tyr s ASN 98 CO 0.06 0.26 1.36 0.44 -2.57 0.00 0.00 177.10 176.66 1tyr h ASP 99 N 5.38 0.42 -0.04 -1.22 5.19 -1.98 -3.32 116.42 120.85 1tyr h ASP 99 Ca -0.42 -0.47 0.00 0.00 -0.62 0.00 0.00 57.03 55.53 1tyr h ASP 99 Cb 1.14 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 1tyr h ASP 99 CO 0.47 0.81 -0.02 -1.20 -3.12 0.00 0.00 179.24 176.17 1tyr n SER 100 N -4.53 -0.04 -3.68 6.45 7.64 -1.26 -4.56 113.62 113.64 1tyr n SER 100 Ca -0.06 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1tyr n SER 100 Cb 0.37 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1tyr n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tyr n GLY 101 N -1.01 -3.00 3.76 0.23 0.00 -1.25 -4.99 105.19 98.93 1tyr n GLY 101 Ca 0.00 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 1tyr n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tyr s PRO 102 N 0.00 1.31 -0.19 1.61 0.02 -1.26 -5.03 135.00 131.45 1tyr s PRO 102 Ca 0.00 0.52 0.08 0.00 0.02 0.00 0.00 61.00 61.62 1tyr s PRO 102 Cb 0.00 -1.84 -0.17 0.00 0.02 0.00 0.00 34.50 32.51 1tyr s PRO 102 CO 0.00 -2.13 -0.07 0.54 -0.33 0.00 0.00 177.00 175.01 1tyr n ARG 103 N -3.76 0.89 -2.97 5.54 3.00 -1.03 -4.85 116.66 113.47 1tyr n ARG 103 Ca 0.06 0.06 -0.40 0.00 -0.01 0.00 0.00 57.85 57.56 1tyr n ARG 103 Cb 0.57 -1.43 -0.05 0.00 0.00 0.00 0.00 32.46 31.55 1tyr n ARG 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1tyr s ARG 104 N -2.42 4.50 -0.13 5.56 3.00 -0.77 -4.84 118.95 123.84 1tyr s ARG 104 Ca -0.19 1.08 0.01 0.00 -1.00 0.00 0.00 55.73 55.63 1tyr s ARG 104 Cb 0.06 -3.37 0.02 0.00 0.00 0.00 0.00 34.95 31.66 1tyr s ARG 104 CO 0.59 0.25 -0.15 0.71 0.00 0.00 0.00 175.30 176.70 1tyr s TYR 105 N 0.05 2.13 -0.21 5.12 1.51 -0.65 -1.75 117.35 123.56 1tyr s TYR 105 Ca 0.39 -1.11 -0.02 0.00 -1.01 0.00 0.00 57.07 55.31 1tyr s TYR 105 Cb -0.20 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1tyr s TYR 105 CO 0.23 -0.59 -0.09 0.99 -1.11 0.00 0.00 175.55 174.99 1tyr s THR 106 N 1.23 2.99 -0.28 -0.71 2.01 -0.47 -1.64 115.64 118.76 1tyr s THR 106 Ca -0.01 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.28 1tyr s THR 106 Cb -0.14 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 1tyr s THR 106 CO -0.06 0.45 0.11 -0.63 -0.69 0.00 0.00 174.62 173.79 1tyr s ILE 107 N 1.42 4.44 0.09 1.82 -1.09 -0.21 -1.38 121.20 126.28 1tyr s ILE 107 Ca 0.05 -0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.26 1tyr s ILE 107 Cb -0.14 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 1tyr s ILE 107 CO -0.06 0.22 -0.10 0.00 -1.23 0.00 0.00 174.94 173.77 1tyr s ALA 108 N 1.61 2.96 -0.01 9.38 0.00 0.05 -1.53 121.76 134.22 1tyr s ALA 108 Ca 0.05 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1tyr s ALA 108 Cb -0.16 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1tyr s ALA 108 CO 0.05 0.64 -0.05 0.00 0.00 0.00 0.00 175.76 176.39 1tyr s ALA 109 N -1.19 0.51 -0.22 0.00 0.00 -0.47 -2.03 121.76 118.36 1tyr s ALA 109 Ca 0.21 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.97 1tyr s ALA 109 Cb -0.11 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.87 1tyr s ALA 109 CO 0.13 0.10 -0.14 -1.17 0.00 0.00 0.00 175.76 174.67 1tyr s LEU 110 N 0.05 2.80 -0.08 0.00 2.96 -0.52 -0.19 118.68 123.71 1tyr s LEU 110 Ca -0.00 -0.96 -0.03 0.00 -0.22 0.00 0.00 54.13 52.92 1tyr s LEU 110 Cb -0.04 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1tyr s LEU 110 CO -0.00 -0.09 0.04 -0.76 -1.32 0.00 0.00 176.35 174.22 1tyr s LEU 111 N 1.23 3.80 0.18 -0.68 1.43 0.18 -1.71 118.68 123.10 1tyr s LEU 111 Ca -0.01 0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 1tyr s LEU 111 Cb -0.16 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1tyr s LEU 111 CO -0.09 0.37 -0.08 -0.44 0.23 0.00 0.00 176.35 176.35 1tyr s SER 112 N -1.06 1.90 0.37 2.29 0.01 0.11 -1.73 113.70 115.59 1tyr s SER 112 Ca 0.15 -1.08 0.04 0.00 1.31 0.00 0.00 55.95 56.38 1tyr s SER 112 Cb -0.12 -0.02 0.72 0.00 0.21 0.00 0.00 66.02 66.81 1tyr s SER 112 CO 0.05 -0.37 2.01 -0.65 0.41 0.00 0.00 173.24 174.69 1tyr h PRO 113 N 2.65 0.74 -0.25 12.44 0.11 -2.00 -2.81 132.00 142.88 1tyr h PRO 113 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1tyr h PRO 113 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1tyr h PRO 113 CO 0.64 0.49 0.00 0.66 -0.21 0.00 0.00 178.00 179.57 1tyr n TYR 114 N -4.46 0.34 -3.59 0.65 4.02 -1.26 -1.57 117.16 111.29 1tyr n TYR 114 Ca 0.07 -0.50 -0.15 0.00 -0.01 0.00 0.00 57.90 57.31 1tyr n TYR 114 Cb 0.09 -0.03 -0.06 0.00 -0.02 0.00 0.00 39.34 39.32 1tyr n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1tyr s SER 115 N -1.00 -0.44 -0.01 7.72 0.15 -1.06 -4.98 113.70 114.08 1tyr s SER 115 Ca 0.17 0.26 -0.07 0.00 0.70 0.00 0.00 55.95 57.01 1tyr s SER 115 Cb 0.09 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1tyr s SER 115 CO 0.11 -0.66 0.14 -0.72 1.20 0.00 0.00 173.24 173.31 1tyr s TYR 116 N -2.06 0.01 0.04 3.44 -0.85 -1.26 0.08 117.35 116.75 1tyr s TYR 116 Ca -0.07 -0.04 0.05 0.00 -0.52 0.00 0.00 57.07 56.48 1tyr s TYR 116 Cb -0.01 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.27 1tyr s TYR 116 CO 0.01 -0.25 -0.15 0.45 -1.52 0.00 0.00 175.55 174.09 1tyr s SER 117 N -1.12 1.79 0.01 -0.18 0.15 -0.70 -4.99 113.70 108.67 1tyr s SER 117 Ca -0.12 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.08 1tyr s SER 117 Cb -0.07 -0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1tyr s SER 117 CO 0.01 0.05 -0.06 0.28 1.20 0.00 0.00 173.24 174.72 1tyr s THR 118 N -0.85 0.47 0.04 6.45 -1.32 -1.26 -1.44 115.64 117.73 1tyr s THR 118 Ca 0.02 -0.50 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 1tyr s THR 118 Cb -0.08 -0.45 -0.03 0.00 -1.51 0.00 0.00 72.50 70.43 1tyr s THR 118 CO 0.01 -0.03 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.46 1tyr s THR 119 N -0.51 0.26 -0.03 5.08 2.01 -0.86 -4.99 115.64 116.60 1tyr s THR 119 Ca -0.01 -1.31 0.06 0.00 0.31 0.00 0.00 61.69 60.74 1tyr s THR 119 Cb -0.05 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 1tyr s THR 119 CO -0.00 -0.67 -0.21 0.00 -0.69 0.00 0.00 174.62 173.05 1tyr s ALA 120 N -2.40 1.75 -0.22 7.40 0.00 -1.26 -0.77 121.76 126.26 1tyr s ALA 120 Ca -0.05 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 1tyr s ALA 120 Cb -0.03 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1tyr s ALA 120 CO -0.04 0.40 -0.10 0.08 0.00 0.00 0.00 175.76 176.10 1tyr s VAL 121 N -0.36 2.80 -0.25 0.00 1.01 -0.48 -4.97 120.40 118.15 1tyr s VAL 121 Ca 0.05 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1tyr s VAL 121 Cb -0.09 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1tyr s VAL 121 CO 0.00 0.37 -0.01 -0.69 0.00 0.00 0.00 175.10 174.77 1tyr s VAL 122 N 1.36 3.36 0.22 2.92 1.01 -1.26 -1.37 120.40 126.64 1tyr s VAL 122 Ca 0.03 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1tyr s VAL 122 Cb -0.15 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1tyr s VAL 122 CO -0.07 0.23 0.05 0.35 0.00 0.00 0.00 175.10 175.66 1tyr n THR 123 N 4.77 0.00 -0.09 3.92 -2.24 -0.72 -4.93 114.28 114.99 1tyr n THR 123 Ca -0.16 -1.19 -0.11 0.00 -2.27 0.00 0.00 64.05 60.32 1tyr n THR 123 Cb 0.48 0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.97 1tyr n THR 123 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1tyr n ASN 124 N -1.54 2.09 -2.29 3.42 4.13 -1.26 -1.85 115.26 117.95 1tyr n ASN 124 Ca -0.06 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.14 1tyr n ASN 124 Cb 0.31 0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 1tyr n ASN 124 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1tyr n PRO 125 N -2.86 2.05 -3.70 3.52 -0.04 -1.26 -4.81 135.00 127.91 1tyr n PRO 125 Ca -0.30 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 62.90 1tyr n PRO 125 Cb 0.90 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.33 1tyr n PRO 125 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1tyr s LYS 126 N 0.78 3.51 0.00 0.54 1.02 -1.26 -4.63 119.74 119.70 1tyr s LYS 126 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1tyr s LYS 126 Cb 0.00 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 1tyr s LYS 126 CO 0.00 0.39 0.00 0.39 -0.92 0.00 0.00 175.35 175.21