#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orm n THR 2 N 0.00 0.00 -2.87 0.00 -1.04 -1.26 -3.29 114.28 105.81 1orm n THR 2 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1orm n THR 2 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 1orm n THR 2 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1orm n SER 3 N 1.82 -2.01 -0.97 8.00 7.64 -1.26 -4.93 113.62 121.91 1orm n SER 3 Ca 0.00 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.71 1orm n SER 3 Cb 0.00 1.15 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 1orm n SER 3 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1orm n THR 4 N 1.49 0.00 -3.60 0.44 -1.04 -1.21 -4.63 114.28 105.74 1orm n THR 4 Ca 0.12 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.76 1orm n THR 4 Cb 0.61 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.06 1orm n THR 4 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1orm s VAL 5 N -2.13 5.15 -0.24 12.58 -7.23 -1.26 -4.31 120.40 122.96 1orm s VAL 5 Ca 0.00 0.65 -0.03 0.00 -1.81 0.00 0.00 61.98 60.79 1orm s VAL 5 Cb 0.00 -3.63 0.13 0.00 0.56 0.00 0.00 36.38 33.44 1orm s VAL 5 CO 0.00 0.56 0.39 0.28 -0.31 0.00 0.00 175.10 176.02 1orm s THR 6 N -1.10 -0.62 -1.46 5.32 -1.32 0.94 -2.99 115.64 114.42 1orm s THR 6 Ca 0.23 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1orm s THR 6 Cb -0.15 -0.79 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 1orm s THR 6 CO 0.12 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1orm n GLY 7 N 5.37 -0.79 0.00 6.08 0.00 -1.26 -4.14 105.19 110.45 1orm n GLY 7 Ca -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1orm n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1orm n GLY 8 N 0.00 3.94 0.00 -0.02 0.00 -1.24 -3.66 105.19 104.22 1orm n GLY 8 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1orm n GLY 8 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1orm n TYR 9 N 0.00 -0.50 -3.80 1.61 4.01 -1.26 -0.89 117.16 116.33 1orm n TYR 9 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 1orm n TYR 9 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 1orm n TYR 9 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1orm s ALA 10 N -2.00 2.78 -0.17 -0.72 0.00 -0.87 -4.73 121.76 116.04 1orm s ALA 10 Ca 0.00 -3.03 0.01 0.00 0.00 0.00 0.00 51.96 48.94 1orm s ALA 10 Cb 0.00 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 21.12 1orm s ALA 10 CO 0.00 -2.05 -0.18 -0.65 0.00 0.00 0.00 175.76 172.88 1orm s GLN 11 N -0.20 3.08 -0.12 0.00 -0.21 -1.25 -3.90 119.66 117.06 1orm s GLN 11 Ca 0.20 -0.80 -0.34 0.00 0.02 0.00 0.00 55.36 54.44 1orm s GLN 11 Cb -0.19 -2.60 0.15 0.00 1.00 0.00 0.00 33.01 31.37 1orm s GLN 11 CO -0.04 -0.12 1.42 0.45 -2.12 0.00 0.00 175.29 174.88 1orm s SER 12 N 1.11 -0.01 -0.32 5.90 0.15 -1.26 -2.42 113.70 116.84 1orm s SER 12 Ca 0.00 -0.01 -0.13 0.00 0.70 0.00 0.00 55.95 56.51 1orm s SER 12 Cb -0.14 0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.16 1orm s SER 12 CO -0.07 -0.04 0.25 -0.62 1.20 0.00 0.00 173.24 173.97 1orm s ASP 13 N -2.82 6.08 -0.25 5.45 2.15 -1.26 -4.84 116.67 121.17 1orm s ASP 13 Ca 0.14 -0.28 -0.06 0.00 0.43 0.00 0.00 52.55 52.79 1orm s ASP 13 Cb 0.06 -2.15 -0.01 0.00 -0.30 0.00 0.00 42.92 40.53 1orm s ASP 13 CO -0.06 -0.21 0.03 0.00 -0.17 0.00 0.00 175.17 174.77 1orm s ALA 14 N 1.79 3.00 0.25 3.66 0.00 -1.26 -3.16 121.76 126.04 1orm s ALA 14 Ca 0.07 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 1orm s ALA 14 Cb -0.17 -1.96 -0.09 0.00 0.00 0.00 0.00 23.12 20.90 1orm s ALA 14 CO 0.11 -0.60 1.21 -0.65 0.00 0.00 0.00 175.76 175.83 1orm s GLN 15 N 1.53 4.49 -1.22 0.00 -1.52 -0.86 -3.40 119.66 118.68 1orm s GLN 15 Ca 0.05 1.97 -0.13 0.00 -1.95 0.00 0.00 55.36 55.29 1orm s GLN 15 Cb -0.15 -3.18 -0.01 0.00 -0.22 0.00 0.00 33.01 29.45 1orm s GLN 15 CO 0.01 -0.05 0.70 0.41 -0.25 0.00 0.00 175.29 176.11 1orm n GLY 16 N 1.59 -0.73 2.08 3.09 0.00 -1.26 -4.79 105.19 105.16 1orm n GLY 16 Ca 0.02 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1orm n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1orm n GLN 17 N -4.23 0.00 -3.13 1.61 6.02 -1.23 -5.09 117.38 111.34 1orm n GLN 17 Ca -0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.78 1orm n GLN 17 Cb 0.62 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.90 1orm n GLN 17 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1orm n MET 18 N -2.90 -1.48 -3.75 -1.09 1.56 -1.22 -4.86 117.12 103.38 1orm n MET 18 Ca 0.00 1.35 -0.37 0.00 -0.27 0.00 0.00 57.70 58.41 1orm n MET 18 Cb 0.00 -5.63 -0.12 0.00 2.15 0.00 0.00 33.22 29.63 1orm n MET 18 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1orm s ASN 19 N -3.07 5.30 -0.95 6.12 0.01 -1.26 -4.73 114.94 116.36 1orm s ASN 19 Ca 0.08 -1.44 -0.22 0.00 -0.71 0.00 0.00 52.86 50.58 1orm s ASN 19 Cb -0.01 -1.86 -0.12 0.00 0.41 0.00 0.00 41.25 39.67 1orm s ASN 19 CO 0.76 -0.41 1.93 0.29 -1.51 0.00 0.00 177.10 178.16 1orm n LYS 20 N 4.76 1.66 -2.49 -0.60 5.02 -1.26 -4.51 118.16 120.73 1orm n LYS 20 Ca -0.10 -2.13 -0.17 0.00 -2.02 0.00 0.00 58.31 53.89 1orm n LYS 20 Cb 0.43 -3.21 0.01 0.00 -0.02 0.00 0.00 35.03 32.25 1orm n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1orm n MET 21 N 7.42 -0.87 -1.21 1.97 0.00 -1.25 -4.81 117.12 118.37 1orm n MET 21 Ca 0.48 0.58 -0.20 0.00 0.00 0.00 0.00 57.70 58.55 1orm n MET 21 Cb 0.43 -0.98 0.14 0.00 0.00 0.00 0.00 33.22 32.81 1orm n MET 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1orm n GLY 22 N -0.39 5.18 3.20 3.17 0.00 -1.26 -4.82 105.19 110.28 1orm n GLY 22 Ca -0.08 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 1orm n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1orm s GLY 23 N -2.09 0.92 -0.16 -0.02 0.00 -1.20 -3.40 107.32 101.38 1orm s GLY 23 Ca 0.54 -1.31 -0.27 0.00 0.00 0.00 0.00 44.72 43.68 1orm s GLY 23 CO 0.04 -1.40 0.68 -0.11 0.00 0.00 0.00 173.10 172.30 1orm s PHE 24 N -2.86 -0.70 -0.15 1.90 -0.12 -1.26 -2.06 117.98 112.74 1orm s PHE 24 Ca 0.10 1.47 0.01 0.00 -0.05 0.00 0.00 56.93 58.46 1orm s PHE 24 Cb -0.00 0.33 0.00 0.00 -0.63 0.00 0.00 43.02 42.72 1orm s PHE 24 CO -0.00 -0.48 -0.17 -0.80 -0.05 0.00 0.00 175.22 173.72 1orm s ASN 25 N -0.41 3.51 -0.44 1.98 0.01 -0.06 -4.67 114.94 114.86 1orm s ASN 25 Ca -0.06 -0.51 0.05 0.00 -0.71 0.00 0.00 52.86 51.64 1orm s ASN 25 Cb -0.03 -1.53 0.20 0.00 0.41 0.00 0.00 41.25 40.30 1orm s ASN 25 CO 0.05 0.08 0.43 -0.11 -1.51 0.00 0.00 177.10 176.04 1orm n LEU 26 N 4.10 0.22 0.00 0.60 7.94 -1.26 -3.61 117.00 124.99 1orm n LEU 26 Ca -0.19 -4.59 0.00 0.00 -1.11 0.00 0.00 56.01 50.11 1orm n LEU 26 Cb 0.52 0.40 0.00 0.00 0.53 0.00 0.00 43.42 44.87 1orm n LEU 26 CO 0.28 1.92 0.00 0.29 -1.11 0.00 0.00 177.39 178.77 1orm n LYS 27 N 2.24 0.78 -4.27 1.96 4.76 -1.26 -4.96 118.16 117.40 1orm n LYS 27 Ca 0.26 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.55 1orm n LYS 27 Cb 0.48 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.57 1orm n LYS 27 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1orm s TYR 28 N -1.44 1.42 0.00 2.13 -0.85 -1.26 -0.04 117.35 117.31 1orm s TYR 28 Ca 0.00 -1.35 0.00 0.00 -0.52 0.00 0.00 57.07 55.20 1orm s TYR 28 Cb 0.00 -0.74 0.00 0.00 0.38 0.00 0.00 41.96 41.60 1orm s TYR 28 CO 0.00 -0.55 0.00 2.89 -1.52 0.00 0.00 175.55 176.37 1orm n ARG 29 N -0.43 0.67 -3.68 -3.49 1.85 -1.26 -4.33 116.66 105.98 1orm n ARG 29 Ca 0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.63 1orm n ARG 29 Cb 0.65 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.89 1orm n ARG 29 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1orm s TYR 30 N -1.28 0.35 -0.43 2.89 1.51 -1.25 -4.67 117.35 114.47 1orm s TYR 30 Ca 0.00 -0.15 0.06 0.00 -1.01 0.00 0.00 57.07 55.97 1orm s TYR 30 Cb 0.00 -0.68 0.32 0.00 -0.11 0.00 0.00 41.96 41.49 1orm s TYR 30 CO 0.00 -0.37 1.18 -1.91 -1.11 0.00 0.00 175.55 173.34 1orm n GLU 31 N 5.23 0.92 0.00 -0.62 4.07 -1.26 -4.72 120.64 124.26 1orm n GLU 31 Ca -0.06 -1.74 0.00 0.00 -0.06 0.00 0.00 57.16 55.30 1orm n GLU 31 Cb 0.49 -0.78 0.00 0.00 -0.06 0.00 0.00 31.44 31.10 1orm n GLU 31 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1orm n GLU 32 N 0.24 0.00 -2.65 5.31 -0.58 -1.26 -4.84 120.64 116.85 1orm n GLU 32 Ca 0.03 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.74 1orm n GLU 32 Cb 0.72 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.59 1orm n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1orm n ASP 33 N 0.00 -1.07 -3.51 1.62 -0.08 -1.26 -4.84 116.55 107.41 1orm n ASP 33 Ca 0.00 -1.58 -0.30 0.00 -1.51 0.00 0.00 54.79 51.40 1orm n ASP 33 Cb 0.00 1.01 0.02 0.00 2.34 0.00 0.00 41.12 44.49 1orm n ASP 33 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1orm n ASN 34 N -0.36 -5.64 -3.97 1.67 3.02 -1.26 -4.99 115.26 103.72 1orm n ASN 34 Ca -0.26 -0.33 -0.10 0.00 -0.03 0.00 0.00 54.58 53.85 1orm n ASN 34 Cb 0.65 -2.19 -0.06 0.00 -0.61 0.00 0.00 39.78 37.57 1orm n ASN 34 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1orm s SER 35 N -2.11 -0.02 0.49 6.41 0.01 -1.26 -5.14 113.70 112.09 1orm s SER 35 Ca 0.24 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1orm s SER 35 Cb -0.03 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1orm s SER 35 CO 0.87 -0.98 0.00 -0.81 0.41 0.00 0.00 173.24 172.72 1orm n PRO 36 N -0.29 0.26 -4.58 12.44 -0.04 -1.26 -4.93 135.00 136.61 1orm n PRO 36 Ca -0.05 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.14 1orm n PRO 36 Cb 0.63 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.01 1orm n PRO 36 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1orm s LEU 37 N 0.00 2.08 -1.55 1.53 2.34 -1.26 -4.72 118.68 117.10 1orm s LEU 37 Ca 0.00 -1.66 -0.04 0.00 0.06 0.00 0.00 54.13 52.49 1orm s LEU 37 Cb 0.00 -0.27 0.01 0.00 -0.56 0.00 0.00 46.19 45.37 1orm s LEU 37 CO 0.00 -0.90 0.39 0.61 -1.06 0.00 0.00 176.35 175.38 1orm n GLY 38 N -1.00 -0.51 3.21 -3.48 0.00 -1.03 -4.88 105.19 97.50 1orm n GLY 38 Ca -0.09 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1orm n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1orm s VAL 39 N -3.07 3.07 -0.24 1.61 0.11 -1.26 -3.29 120.40 117.32 1orm s VAL 39 Ca 0.21 -1.13 -0.27 0.00 -2.93 0.00 0.00 61.98 57.86 1orm s VAL 39 Cb -0.10 -2.64 0.14 0.00 -1.53 0.00 0.00 36.38 32.25 1orm s VAL 39 CO 0.26 0.06 1.13 -0.51 -3.33 0.00 0.00 175.10 172.71 1orm s ILE 40 N 1.32 0.00 -0.60 7.04 2.07 -1.26 -3.91 121.20 125.86 1orm s ILE 40 Ca -0.02 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.28 1orm s ILE 40 Cb -0.18 -1.00 0.29 0.00 0.13 0.00 0.00 42.46 41.70 1orm s ILE 40 CO -0.02 0.00 0.81 0.61 -1.91 0.00 0.00 174.94 174.43 1orm n GLY 41 N 1.38 5.00 3.88 1.50 0.00 -1.26 -4.33 105.19 111.36 1orm n GLY 41 Ca -0.10 -2.69 -0.31 0.00 0.00 0.00 0.00 46.02 42.92 1orm n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1orm s SER 42 N -2.80 6.60 -0.06 1.61 0.01 -1.26 -4.88 113.70 112.91 1orm s SER 42 Ca 0.43 0.98 0.04 0.00 1.31 0.00 0.00 55.95 58.71 1orm s SER 42 Cb 0.21 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1orm s SER 42 CO -0.07 -0.17 -0.18 -0.36 0.41 0.00 0.00 173.24 172.88 1orm s PHE 43 N -1.98 1.90 -0.70 2.43 0.08 -1.26 -4.24 117.98 114.20 1orm s PHE 43 Ca 0.49 -0.66 0.05 0.00 0.12 0.00 0.00 56.93 56.92 1orm s PHE 43 Cb -0.11 -1.30 0.22 0.00 -0.57 0.00 0.00 43.02 41.26 1orm s PHE 43 CO 0.24 -0.27 0.70 2.41 -0.10 0.00 0.00 175.22 178.19 1orm n THR 44 N 3.43 2.30 -2.96 0.64 -1.04 0.53 -4.06 114.28 113.11 1orm n THR 44 Ca -0.20 -5.13 -0.33 0.00 -2.04 0.00 0.00 64.05 56.36 1orm n THR 44 Cb 0.52 -2.15 -0.06 0.00 -1.82 0.00 0.00 70.33 66.82 1orm n THR 44 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1orm s TYR 45 N -2.07 3.34 0.38 -1.42 1.13 -1.25 -3.26 117.35 114.21 1orm s TYR 45 Ca 0.33 1.41 0.08 0.00 -1.41 0.00 0.00 57.07 57.48 1orm s TYR 45 Cb 0.06 -2.69 -0.04 0.00 -1.10 0.00 0.00 41.96 38.19 1orm s TYR 45 CO -0.07 -0.02 0.24 0.99 -2.51 0.00 0.00 175.55 174.18 1orm s THR 46 N -2.10 2.83 -0.30 -3.49 2.01 -1.26 -3.24 115.64 110.09 1orm s THR 46 Ca 0.58 -1.55 -0.19 0.00 0.31 0.00 0.00 61.69 60.84 1orm s THR 46 Cb -0.10 -3.02 0.19 0.00 0.01 0.00 0.00 72.50 69.59 1orm s THR 46 CO 0.16 -0.09 1.26 -1.83 -0.69 0.00 0.00 174.62 173.43 1orm s GLU 47 N -3.96 0.06 -0.17 4.92 4.04 -1.22 -3.60 118.70 118.78 1orm s GLU 47 Ca 0.42 0.15 -0.32 0.00 0.04 0.00 0.00 54.97 55.26 1orm s GLU 47 Cb -0.02 0.09 0.14 0.00 0.02 0.00 0.00 34.13 34.37 1orm s GLU 47 CO 0.25 -0.02 1.13 0.21 -1.84 0.00 0.00 175.26 174.99 1orm s LYS 48 N 2.10 0.41 0.15 -4.83 2.47 -1.26 -4.20 119.74 114.58 1orm s LYS 48 Ca 0.00 -0.07 -0.00 0.00 -1.56 0.00 0.00 55.97 54.34 1orm s LYS 48 Cb -0.01 0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 1orm s LYS 48 CO -0.16 -0.16 0.33 0.45 0.16 0.00 0.00 175.35 175.96 1orm s SER 49 N -1.83 6.38 -0.19 1.43 0.15 -1.26 -4.91 113.70 113.47 1orm s SER 49 Ca 0.06 0.34 -0.01 0.00 0.70 0.00 0.00 55.95 57.04 1orm s SER 49 Cb -0.01 -1.99 0.05 0.00 -1.71 0.00 0.00 66.02 62.37 1orm s SER 49 CO -0.05 0.04 -0.01 -0.60 1.20 0.00 0.00 173.24 173.82 1orm s ARG 50 N -3.05 1.13 0.00 5.44 3.52 -1.26 -4.96 118.95 119.77 1orm s ARG 50 Ca 0.37 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 1orm s ARG 50 Cb -0.12 -2.18 0.00 0.00 -1.56 0.00 0.00 34.95 31.10 1orm s ARG 50 CO 0.28 -0.56 0.00 0.25 -0.81 0.00 0.00 175.30 174.46 1orm n THR 51 N 4.90 0.00 -2.17 4.11 -2.24 -1.26 -4.33 114.28 113.29 1orm n THR 51 Ca -0.10 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1orm n THR 51 Cb 0.46 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.71 1orm n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1orm n ALA 52 N 5.10 -1.52 0.01 6.98 0.00 0.11 -4.89 120.51 126.30 1orm n ALA 52 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1orm n ALA 52 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1orm n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1orm n SER 53 N -1.86 -0.24 -0.11 0.00 2.88 -1.26 -4.97 113.62 108.07 1orm n SER 53 Ca -0.02 0.34 -0.10 0.00 -1.33 0.00 0.00 58.87 57.76 1orm n SER 53 Cb 0.53 0.52 -0.02 0.00 -0.75 0.00 0.00 64.21 64.49 1orm n SER 53 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1orm h SER 54 N 0.00 0.47 0.00 -3.46 0.87 -1.97 -3.45 113.55 106.01 1orm h SER 54 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1orm h SER 54 Cb 0.00 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1orm h SER 54 CO 0.00 0.52 0.00 0.61 -0.53 0.00 0.00 176.83 177.43 1orm n GLY 55 N -0.72 -1.36 0.00 5.77 0.00 -1.26 -5.17 105.19 102.45 1orm n GLY 55 Ca -0.01 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1orm n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1orm n ASP 56 N 0.00 0.00 -3.67 1.61 -0.08 -1.26 -4.89 116.55 108.26 1orm n ASP 56 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 1orm n ASP 56 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 1orm n ASP 56 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1orm s TYR 57 N -0.15 -0.64 0.23 -0.67 -0.85 -1.26 0.04 117.35 114.05 1orm s TYR 57 Ca 0.00 1.30 0.05 0.00 -0.52 0.00 0.00 57.07 57.90 1orm s TYR 57 Cb 0.00 0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.50 1orm s TYR 57 CO 0.00 -0.41 0.31 -0.80 -1.52 0.00 0.00 175.55 173.13 1orm s ASN 58 N 2.32 6.13 0.26 -0.18 -0.87 -1.26 -4.51 114.94 116.83 1orm s ASN 58 Ca -0.02 0.01 -0.15 0.00 -1.57 0.00 0.00 52.86 51.12 1orm s ASN 58 Cb -0.11 -1.76 0.06 0.00 -0.02 0.00 0.00 41.25 39.41 1orm s ASN 58 CO -0.11 -0.04 0.77 1.17 -2.57 0.00 0.00 177.10 176.31 1orm n LYS 59 N -1.23 0.79 -2.68 -0.60 4.81 -1.26 -4.72 118.16 113.27 1orm n LYS 59 Ca -0.09 -1.63 -0.01 0.00 -0.87 0.00 0.00 58.31 55.72 1orm n LYS 59 Cb 0.57 2.09 -0.01 0.00 0.02 0.00 0.00 35.03 37.70 1orm n LYS 59 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1orm n ASN 60 N -1.34 -6.74 -3.15 3.14 3.02 -1.26 -4.00 115.26 104.92 1orm n ASN 60 Ca -0.05 1.41 0.04 0.00 -0.03 0.00 0.00 54.58 55.95 1orm n ASN 60 Cb 0.50 -5.29 -0.01 0.00 -0.61 0.00 0.00 39.78 34.37 1orm n ASN 60 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1orm s GLN 61 N -1.47 0.52 -0.01 3.52 1.11 -1.26 -4.29 119.66 117.78 1orm s GLN 61 Ca -0.05 0.87 0.00 0.00 0.01 0.00 0.00 55.36 56.19 1orm s GLN 61 Cb 0.00 0.47 0.01 0.00 -1.01 0.00 0.00 33.01 32.49 1orm s GLN 61 CO 0.78 -0.61 0.52 2.48 0.01 0.00 0.00 175.29 178.47 1orm n TYR 62 N 5.43 -0.06 -4.36 0.91 4.11 -1.24 -4.07 117.16 117.88 1orm n TYR 62 Ca -0.01 -0.05 -0.20 0.00 -0.00 0.00 0.00 57.90 57.63 1orm n TYR 62 Cb 0.52 0.58 -0.10 0.00 -0.00 0.00 0.00 39.34 40.33 1orm n TYR 62 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1orm s TYR 63 N 0.00 1.83 0.00 -3.48 5.04 -1.26 -4.64 117.35 114.84 1orm s TYR 63 Ca 0.00 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.13 1orm s TYR 63 Cb 0.01 -0.86 0.00 0.00 0.35 0.00 0.00 41.96 41.46 1orm s TYR 63 CO -0.00 0.40 0.00 0.41 -1.34 0.00 0.00 175.55 175.02 1orm n GLY 64 N -0.17 -1.23 3.64 8.97 0.00 -1.20 -3.77 105.19 111.43 1orm n GLY 64 Ca -0.09 0.75 -0.35 0.00 0.00 0.00 0.00 46.02 46.33 1orm n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1orm s ILE 65 N 0.00 4.20 -0.23 -0.61 1.09 -1.26 -0.35 121.20 124.03 1orm s ILE 65 Ca 0.00 -0.28 -0.13 0.00 -1.10 0.00 0.00 60.65 59.14 1orm s ILE 65 Cb 0.00 -2.77 0.07 0.00 -1.06 0.00 0.00 42.46 38.70 1orm s ILE 65 CO 0.00 0.58 0.56 -0.89 -0.10 0.00 0.00 174.94 175.10 1orm s THR 66 N -0.64 -0.05 0.19 2.92 2.01 -1.26 -4.00 115.64 114.81 1orm s THR 66 Ca 0.10 0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.93 1orm s THR 66 Cb -0.12 -0.83 -0.08 0.00 0.01 0.00 0.00 72.50 71.49 1orm s THR 66 CO 0.02 0.02 0.72 0.00 -0.69 0.00 0.00 174.62 174.69 1orm s ALA 67 N 1.58 3.45 -0.19 7.40 0.00 -1.26 -4.49 121.76 128.25 1orm s ALA 67 Ca -0.10 0.21 -0.42 0.00 0.00 0.00 0.00 51.96 51.65 1orm s ALA 67 Cb -0.07 -2.84 -0.20 0.00 0.00 0.00 0.00 23.12 20.02 1orm s ALA 67 CO -0.17 0.33 1.32 0.41 0.00 0.00 0.00 175.76 177.65 1orm n GLY 68 N 1.12 0.00 2.36 0.00 0.00 -1.21 -4.72 105.19 102.74 1orm n GLY 68 Ca -0.04 0.86 -0.22 0.00 0.00 0.00 0.00 46.02 46.61 1orm n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1orm n PRO 69 N 2.70 2.33 -3.63 1.61 -0.04 -1.26 -4.40 135.00 132.30 1orm n PRO 69 Ca 0.24 -1.41 -0.21 0.00 -0.04 0.00 0.00 63.50 62.08 1orm n PRO 69 Cb 0.04 -2.34 -0.16 0.00 -0.04 0.00 0.00 33.50 30.99 1orm n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1orm s ALA 70 N 2.39 0.12 -0.29 0.55 0.00 -1.26 -4.80 121.76 118.47 1orm s ALA 70 Ca 0.52 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.48 1orm s ALA 70 Cb 0.17 -0.90 0.10 0.00 0.00 0.00 0.00 23.12 22.49 1orm s ALA 70 CO -0.03 -0.82 0.70 -0.47 0.00 0.00 0.00 175.76 175.14 1orm s TYR 71 N 2.21 -1.11 0.40 0.00 5.04 -1.26 -2.45 117.35 120.18 1orm s TYR 71 Ca 0.04 2.11 0.00 0.00 -2.44 0.00 0.00 57.07 56.78 1orm s TYR 71 Cb -0.14 0.66 0.00 0.00 0.35 0.00 0.00 41.96 42.83 1orm s TYR 71 CO -0.07 -0.55 0.00 -2.13 -1.34 0.00 0.00 175.55 171.46 1orm n ARG 72 N 4.61 -2.39 -3.20 4.97 0.63 -1.26 -4.14 116.66 115.88 1orm n ARG 72 Ca -0.17 1.84 -0.00 0.00 -0.92 0.00 0.00 57.85 58.60 1orm n ARG 72 Cb 0.56 -2.84 -0.02 0.00 0.45 0.00 0.00 32.46 30.61 1orm n ARG 72 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1orm s ILE 73 N -3.25 -0.89 0.34 5.15 -1.16 -1.26 -4.55 121.20 115.58 1orm s ILE 73 Ca 0.00 -0.09 0.00 0.00 -0.51 0.00 0.00 60.65 60.05 1orm s ILE 73 Cb 0.00 -0.99 0.00 0.00 0.61 0.00 0.00 42.46 42.08 1orm s ILE 73 CO 0.00 -0.09 0.00 -3.20 -2.81 0.00 0.00 174.94 168.84 1orm n ASN 74 N 5.40 -3.03 0.00 4.50 5.15 -1.26 -4.94 115.26 121.08 1orm n ASN 74 Ca 0.03 0.78 0.00 0.00 -0.60 0.00 0.00 54.58 54.79 1orm n ASN 74 Cb 0.52 2.95 0.00 0.00 -0.53 0.00 0.00 39.78 42.72 1orm n ASN 74 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1orm n ASP 75 N -3.29 0.00 -2.94 1.20 8.00 -1.26 -4.52 116.55 113.73 1orm n ASP 75 Ca 0.00 0.53 -0.14 0.00 0.71 0.00 0.00 54.79 55.90 1orm n ASP 75 Cb 0.00 -0.03 0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1orm n ASP 75 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1orm n TRP 76 N -0.95 -1.58 0.00 1.24 -0.00 -1.26 -5.00 117.44 109.89 1orm n TRP 76 Ca 0.00 -2.84 0.00 0.00 -0.00 0.00 0.00 57.50 54.66 1orm n TRP 76 Cb 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 31.31 32.00 1orm n TRP 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1orm n ALA 77 N 0.58 0.00 -2.62 5.87 0.00 -1.26 -4.79 120.51 118.29 1orm n ALA 77 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.31 1orm n ALA 77 Cb 0.66 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.00 1orm n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1orm s SER 78 N 0.00 3.77 0.20 0.00 0.15 -1.26 -4.08 113.70 112.48 1orm s SER 78 Ca 0.00 -1.40 0.03 0.00 0.70 0.00 0.00 55.95 55.28 1orm s SER 78 Cb 0.00 -0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 63.98 1orm s SER 78 CO 0.00 -0.50 -0.02 -0.51 1.20 0.00 0.00 173.24 173.40 1orm s ILE 79 N -2.78 0.95 0.30 6.45 2.07 -1.26 -4.81 121.20 122.12 1orm s ILE 79 Ca 0.32 -2.02 -0.24 0.00 -1.41 0.00 0.00 60.65 57.30 1orm s ILE 79 Cb 0.09 -2.17 -0.09 0.00 0.13 0.00 0.00 42.46 40.41 1orm s ILE 79 CO 0.16 -0.46 0.89 -0.72 -1.91 0.00 0.00 174.94 172.90 1orm s TYR 80 N -3.48 3.68 0.00 3.50 -0.85 -1.26 -3.47 117.35 115.47 1orm s TYR 80 Ca 0.25 1.68 0.00 0.00 -0.52 0.00 0.00 57.07 58.48 1orm s TYR 80 Cb 0.05 -2.84 0.00 0.00 0.38 0.00 0.00 41.96 39.55 1orm s TYR 80 CO 0.06 0.25 0.00 0.41 -1.52 0.00 0.00 175.55 174.74 1orm n GLY 81 N 0.61 -0.06 3.78 5.49 0.00 -1.24 -4.89 105.19 108.88 1orm n GLY 81 Ca 0.01 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1orm n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1orm s VAL 82 N 0.00 3.74 -0.31 1.61 -7.23 -1.26 -5.02 120.40 111.93 1orm s VAL 82 Ca 0.00 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 1orm s VAL 82 Cb 0.00 -3.16 0.09 0.00 0.56 0.00 0.00 36.38 33.87 1orm s VAL 82 CO 0.00 -0.27 0.04 -0.69 -0.31 0.00 0.00 175.10 173.86 1orm s VAL 83 N -2.27 1.82 -0.56 1.32 1.01 -1.26 -4.80 120.40 115.65 1orm s VAL 83 Ca 0.36 -1.91 0.02 0.00 0.00 0.00 0.00 61.98 60.45 1orm s VAL 83 Cb -0.06 -2.29 0.14 0.00 0.00 0.00 0.00 36.38 34.18 1orm s VAL 83 CO 0.24 -0.52 0.33 -0.83 0.00 0.00 0.00 175.10 174.32 1orm s GLY 84 N 1.16 2.51 -1.16 4.51 0.00 -1.25 -4.12 107.32 108.97 1orm s GLY 84 Ca 0.07 -3.33 -0.11 0.00 0.00 0.00 0.00 44.72 41.35 1orm s GLY 84 CO -0.12 1.04 1.26 3.33 0.00 0.00 0.00 173.10 178.61 1orm n VAL 85 N 3.09 4.45 -2.63 1.40 0.24 -1.26 -3.71 118.33 119.91 1orm n VAL 85 Ca 0.07 -5.11 -0.34 0.00 -2.04 0.00 0.00 64.34 56.91 1orm n VAL 85 Cb 0.34 -2.53 -0.05 0.00 -1.47 0.00 0.00 33.84 30.13 1orm n VAL 85 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1orm s GLY 86 N 1.90 2.54 -0.32 7.63 0.00 -1.23 -4.57 107.32 113.27 1orm s GLY 86 Ca 0.36 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1orm s GLY 86 CO -0.04 0.90 0.03 -0.19 0.00 0.00 0.00 173.10 173.80 1orm s TYR 87 N -1.95 3.45 -0.72 1.90 1.51 -1.26 -3.31 117.35 116.97 1orm s TYR 87 Ca 0.63 -2.34 0.04 0.00 -1.01 0.00 0.00 57.07 54.39 1orm s TYR 87 Cb -0.16 -2.49 0.28 0.00 -0.11 0.00 0.00 41.96 39.48 1orm s TYR 87 CO 0.20 -0.89 0.96 0.41 -1.11 0.00 0.00 175.55 175.12 1orm n GLY 88 N 4.49 5.09 2.43 0.71 0.00 -1.26 -4.70 105.19 111.95 1orm n GLY 88 Ca -0.07 -2.75 -0.36 0.00 0.00 0.00 0.00 46.02 42.83 1orm n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1orm n LYS 89 N 0.69 3.93 -3.51 1.61 3.00 -1.26 -4.21 118.16 118.42 1orm n LYS 89 Ca 0.30 -2.93 -0.37 0.00 -0.00 0.00 0.00 58.31 55.32 1orm n LYS 89 Cb 0.39 -2.54 -0.07 0.00 0.00 0.00 0.00 35.03 32.81 1orm n LYS 89 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1orm s PHE 90 N -0.59 3.54 0.57 5.64 -0.71 -1.26 -4.63 117.98 120.56 1orm s PHE 90 Ca 0.58 0.74 0.02 0.00 -1.04 0.00 0.00 56.93 57.23 1orm s PHE 90 Cb 0.23 -2.35 0.05 0.00 -1.21 0.00 0.00 43.02 39.74 1orm s PHE 90 CO -0.11 0.35 0.80 -0.65 -1.34 0.00 0.00 175.22 174.27 1orm s GLN 91 N 0.05 2.41 -0.22 1.99 -0.21 -1.26 -4.77 119.66 117.65 1orm s GLN 91 Ca 0.20 -0.89 -0.28 0.00 0.02 0.00 0.00 55.36 54.41 1orm s GLN 91 Cb -0.14 -2.48 0.13 0.00 1.00 0.00 0.00 33.01 31.51 1orm s GLN 91 CO 0.07 -0.81 1.03 -0.08 -2.12 0.00 0.00 175.29 173.38 1orm s THR 92 N -2.80 0.00 0.00 -0.19 -1.32 -1.26 -4.50 115.64 105.57 1orm s THR 92 Ca 0.59 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.07 1orm s THR 92 Cb -0.09 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 1orm s THR 92 CO 0.39 0.00 0.00 0.41 -2.21 0.00 0.00 174.62 173.21 1orm n THR 93 N 1.38 0.00 0.00 5.08 -1.04 -1.26 -1.97 114.28 116.46 1orm n THR 93 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1orm n THR 93 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 1orm n THR 93 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1orm n GLU 94 N 0.00 0.00 -1.99 -2.82 2.13 -1.26 -5.01 120.64 111.69 1orm n GLU 94 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1orm n GLU 94 Cb 0.00 -0.42 0.06 0.00 0.27 0.00 0.00 31.44 31.35 1orm n GLU 94 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1orm s TYR 95 N -1.75 3.18 -0.66 4.31 2.02 -1.26 -4.87 117.35 118.32 1orm s TYR 95 Ca 0.00 0.86 -0.06 0.00 -0.37 0.00 0.00 57.07 57.49 1orm s TYR 95 Cb 0.00 -3.15 -0.13 0.00 -0.40 0.00 0.00 41.96 38.28 1orm s TYR 95 CO 0.00 -1.31 2.64 -0.35 -1.57 0.00 0.00 175.55 174.96 1orm n PRO 96 N -3.02 2.19 0.05 -1.71 -0.04 -1.26 -3.12 135.00 128.10 1orm n PRO 96 Ca 0.07 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 1orm n PRO 96 Cb 0.59 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 1orm n PRO 96 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1orm n THR 97 N 3.34 0.92 -1.76 0.52 -1.04 -1.26 -4.95 114.28 110.05 1orm n THR 97 Ca 0.47 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.78 1orm n THR 97 Cb 0.41 -1.36 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1orm n THR 97 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1orm n TYR 98 N -3.35 0.00 0.00 -1.42 9.36 -1.25 -5.13 117.16 115.37 1orm n TYR 98 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1orm n TYR 98 Cb 0.00 0.04 0.00 0.00 -0.63 0.00 0.00 39.34 38.75 1orm n TYR 98 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1orm n LYS 99 N 0.00 0.00 -0.06 2.98 4.81 -1.18 -3.80 118.16 120.91 1orm n LYS 99 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1orm n LYS 99 Cb 0.59 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.53 1orm n LYS 99 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1orm h ASN 100 N 0.00 -0.01 0.00 3.14 -1.07 -1.75 -3.36 115.58 112.53 1orm h ASN 100 Ca 0.00 -0.84 0.00 0.00 0.07 0.00 0.00 56.30 55.53 1orm h ASN 100 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1orm h ASN 100 CO 0.00 0.90 0.00 0.47 0.07 0.00 0.00 177.43 178.87 1orm n ASP 101 N -4.65 0.00 -3.63 6.14 8.00 -1.25 -4.37 116.55 116.79 1orm n ASP 101 Ca -0.09 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.17 1orm n ASP 101 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 1orm n ASP 101 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1orm n THR 102 N 0.00 0.00 -1.16 -3.53 5.66 -1.26 -4.13 114.28 109.86 1orm n THR 102 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1orm n THR 102 Cb 0.00 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 1orm n THR 102 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1orm n SER 103 N -2.00 -6.39 -4.26 1.09 7.64 -1.26 -5.06 113.62 103.38 1orm n SER 103 Ca 0.07 1.10 -0.22 0.00 1.01 0.00 0.00 58.87 60.82 1orm n SER 103 Cb 0.46 -3.32 -0.09 0.00 -1.01 0.00 0.00 64.21 60.24 1orm n SER 103 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1orm s ASP 104 N -3.76 2.35 0.00 6.43 -1.08 -1.26 -5.15 116.67 114.21 1orm s ASP 104 Ca 0.00 -1.52 0.00 0.00 -0.52 0.00 0.00 52.55 50.51 1orm s ASP 104 Cb 0.00 0.24 0.00 0.00 -1.46 0.00 0.00 42.92 41.70 1orm s ASP 104 CO 0.00 -0.78 0.00 -1.22 0.52 0.00 0.00 175.17 173.69 1orm n TYR 105 N -0.75 -0.56 -3.69 -5.34 4.02 -1.26 -4.52 117.16 105.06 1orm n TYR 105 Ca -0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.62 1orm n TYR 105 Cb 0.66 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.80 1orm n TYR 105 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1orm s GLY 106 N -0.93 0.37 -0.38 2.72 0.00 -1.21 -4.76 107.32 103.14 1orm s GLY 106 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.62 1orm s GLY 106 CO 0.00 1.42 0.11 -0.12 0.00 0.00 0.00 173.10 174.51 1orm s PHE 107 N 2.07 3.33 -0.15 1.90 2.19 -1.26 -3.54 117.98 122.52 1orm s PHE 107 Ca 0.03 -2.87 -0.01 0.00 0.33 0.00 0.00 56.93 54.42 1orm s PHE 107 Cb -0.14 -2.72 -0.01 0.00 -1.31 0.00 0.00 43.02 38.84 1orm s PHE 107 CO -0.06 -0.89 -0.12 -1.12 1.83 0.00 0.00 175.22 174.86 1orm s SER 108 N 0.71 4.00 -0.36 6.13 0.01 -1.24 -4.11 113.70 118.83 1orm s SER 108 Ca 0.12 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.04 1orm s SER 108 Cb -0.20 -1.63 0.16 0.00 0.21 0.00 0.00 66.02 64.55 1orm s SER 108 CO -0.08 0.11 0.38 -0.31 0.41 0.00 0.00 173.24 173.75 1orm s TYR 109 N 0.68 -0.42 0.00 2.43 2.02 -1.25 -3.80 117.35 117.01 1orm s TYR 109 Ca -0.06 -0.66 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 1orm s TYR 109 Cb -0.15 -0.36 0.00 0.00 -0.40 0.00 0.00 41.96 41.04 1orm s TYR 109 CO 0.02 -0.98 0.00 0.41 -1.57 0.00 0.00 175.55 173.43 1orm n GLY 110 N 4.40 2.91 3.17 0.71 0.00 -1.26 -4.57 105.19 110.55 1orm n GLY 110 Ca 0.09 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 1orm n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1orm s ALA 111 N -2.69 1.03 -0.14 4.61 0.00 -1.13 -3.71 121.76 119.72 1orm s ALA 111 Ca 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 1orm s ALA 111 Cb 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1orm s ALA 111 CO 0.00 -0.15 -0.03 0.20 0.00 0.00 0.00 175.76 175.78 1orm s GLY 112 N -2.76 1.74 -0.12 0.00 0.00 -1.23 -4.50 107.32 100.46 1orm s GLY 112 Ca 0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 44.72 43.94 1orm s GLY 112 CO -0.02 -0.17 0.24 -2.27 0.00 0.00 0.00 173.10 170.87 1orm s LEU 113 N 0.12 -0.18 -0.26 0.66 0.20 -1.26 -4.01 118.68 113.95 1orm s LEU 113 Ca -0.01 0.53 -0.08 0.00 0.69 0.00 0.00 54.13 55.26 1orm s LEU 113 Cb -0.14 0.60 0.12 0.00 -0.43 0.00 0.00 46.19 46.35 1orm s LEU 113 CO 0.03 -0.23 0.55 0.00 -0.29 0.00 0.00 176.35 176.40 1orm s GLN 114 N 2.28 0.47 -0.30 1.98 -2.07 -1.26 -3.92 119.66 116.84 1orm s GLN 114 Ca 0.01 1.21 -0.12 0.00 -1.82 0.00 0.00 55.36 54.63 1orm s GLN 114 Cb -0.12 0.57 0.18 0.00 -1.09 0.00 0.00 33.01 32.55 1orm s GLN 114 CO -0.08 -0.29 1.08 0.12 -1.32 0.00 0.00 175.29 174.80 1orm s PHE 115 N 2.77 -0.35 0.00 9.60 5.36 -1.26 -4.66 117.98 129.44 1orm s PHE 115 Ca -0.01 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 1orm s PHE 115 Cb -0.13 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.62 1orm s PHE 115 CO -0.17 -0.21 0.00 0.09 -1.46 0.00 0.00 175.22 173.47 1orm n ASN 116 N 4.92 0.00 -4.52 6.13 3.02 -1.26 -5.09 115.26 118.46 1orm n ASN 116 Ca 0.09 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.35 1orm n ASN 116 Cb 0.59 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.92 1orm n ASN 116 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1orm s PRO 117 N 0.00 0.67 0.18 3.52 0.04 -1.26 -4.77 135.00 133.38 1orm s PRO 117 Ca 0.00 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1orm s PRO 117 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1orm s PRO 117 CO 0.00 -2.48 0.00 -0.12 0.04 0.00 0.00 177.00 174.44 1orm n MET 118 N -3.93 0.00 0.00 4.56 1.56 -1.26 -5.05 117.12 113.00 1orm n MET 118 Ca 0.09 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.51 1orm n MET 118 Cb 0.59 0.00 -0.00 0.00 2.15 0.00 0.00 33.22 35.96 1orm n MET 118 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1orm n GLU 119 N -2.89 0.03 0.00 2.12 -0.58 -1.26 -5.04 120.64 113.03 1orm n GLU 119 Ca 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1orm n GLU 119 Cb 0.00 -0.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.58 1orm n GLU 119 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1orm n ASN 120 N -2.77 0.00 -3.90 1.62 0.23 -1.26 -5.17 115.26 104.01 1orm n ASN 120 Ca -0.01 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.89 1orm n ASN 120 Cb 0.03 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.64 1orm n ASN 120 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1orm s VAL 121 N 0.00 0.00 0.06 3.53 0.11 -1.26 -4.84 120.40 117.99 1orm s VAL 121 Ca 0.00 -2.00 0.09 0.00 -2.93 0.00 0.00 61.98 57.14 1orm s VAL 121 Cb 0.00 -2.50 -0.03 0.00 -1.53 0.00 0.00 36.38 32.32 1orm s VAL 121 CO 0.00 0.00 -0.26 0.00 -3.33 0.00 0.00 175.10 171.51 1orm s ALA 122 N -3.91 2.31 -0.03 1.54 0.00 -1.26 -4.81 121.76 115.60 1orm s ALA 122 Ca 0.40 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 51.08 1orm s ALA 122 Cb 0.05 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1orm s ALA 122 CO 0.18 0.54 -0.08 -1.17 0.00 0.00 0.00 175.76 175.23 1orm s LEU 123 N -1.38 1.65 0.06 0.00 2.96 -1.26 -4.39 118.68 116.32 1orm s LEU 123 Ca 0.12 -0.18 -0.14 0.00 -0.22 0.00 0.00 54.13 53.72 1orm s LEU 123 Cb -0.10 -0.53 0.02 0.00 0.50 0.00 0.00 46.19 46.08 1orm s LEU 123 CO 0.03 0.03 0.31 1.51 -1.32 0.00 0.00 176.35 176.91 1orm s ASP 124 N 0.43 -0.12 -0.44 3.68 -4.77 -1.26 -4.14 116.67 110.06 1orm s ASP 124 Ca -0.07 -0.25 0.04 0.00 -3.30 0.00 0.00 52.55 48.97 1orm s ASP 124 Cb -0.11 0.37 0.12 0.00 -1.09 0.00 0.00 42.92 42.21 1orm s ASP 124 CO 0.01 -0.66 0.17 0.12 0.70 0.00 0.00 175.17 175.50 1orm s PHE 125 N -2.87 3.30 -0.27 2.11 2.19 -1.25 -4.43 117.98 116.76 1orm s PHE 125 Ca -0.03 -3.02 -0.38 0.00 0.33 0.00 0.00 56.93 53.83 1orm s PHE 125 Cb 0.00 -2.78 -0.14 0.00 -1.31 0.00 0.00 43.02 38.79 1orm s PHE 125 CO -0.05 -0.83 1.90 -1.13 1.83 0.00 0.00 175.22 176.94 1orm n SER 126 N 3.64 2.46 -3.62 6.13 3.41 -1.26 -4.85 113.62 119.52 1orm n SER 126 Ca 0.05 0.87 -0.28 0.00 -0.26 0.00 0.00 58.87 59.24 1orm n SER 126 Cb 0.36 -1.20 -0.16 0.00 -0.26 0.00 0.00 64.21 62.95 1orm n SER 126 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1orm s TYR 127 N 4.73 0.68 0.23 7.33 6.14 -1.26 -4.34 117.35 130.87 1orm s TYR 127 Ca 1.01 -0.93 0.03 0.00 0.64 0.00 0.00 57.07 57.82 1orm s TYR 127 Cb -0.96 -1.04 -0.01 0.00 0.42 0.00 0.00 41.96 40.37 1orm s TYR 127 CO 0.59 -0.74 0.10 0.39 0.64 0.00 0.00 175.55 176.53 1orm n GLU 128 N 5.14 0.65 -3.64 4.97 1.02 -1.26 -2.84 120.64 124.68 1orm n GLU 128 Ca -0.06 -2.03 -0.07 0.00 -0.02 0.00 0.00 57.16 54.99 1orm n GLU 128 Cb 0.44 1.19 -0.07 0.00 -0.02 0.00 0.00 31.44 32.98 1orm n GLU 128 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1orm s GLN 129 N -2.90 0.67 0.04 3.49 -0.21 -1.26 -4.69 119.66 114.80 1orm s GLN 129 Ca 0.14 1.14 -0.00 0.00 0.02 0.00 0.00 55.36 56.66 1orm s GLN 129 Cb 0.01 0.14 0.01 0.00 1.00 0.00 0.00 33.01 34.17 1orm s GLN 129 CO 0.10 -0.14 0.06 -1.13 -2.12 0.00 0.00 175.29 172.06 1orm n SER 130 N 4.18 0.03 -2.58 5.90 3.41 -1.25 -3.79 113.62 119.51 1orm n SER 130 Ca -0.20 -1.04 -0.03 0.00 -0.26 0.00 0.00 58.87 57.35 1orm n SER 130 Cb 0.59 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 1orm n SER 130 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1orm n ARG 131 N -1.11 0.04 -3.89 4.33 0.63 -1.26 -4.70 116.66 110.70 1orm n ARG 131 Ca 0.01 -0.52 -0.28 0.00 -0.92 0.00 0.00 57.85 56.14 1orm n ARG 131 Cb 0.03 -0.00 -0.12 0.00 0.45 0.00 0.00 32.46 32.81 1orm n ARG 131 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1orm s ILE 132 N 0.01 2.75 -0.16 5.15 -1.09 -1.25 -4.71 121.20 121.89 1orm s ILE 132 Ca 0.01 -4.04 -0.01 0.00 -2.23 0.00 0.00 60.65 54.37 1orm s ILE 132 Cb 0.01 -2.82 0.00 0.00 -1.58 0.00 0.00 42.46 38.07 1orm s ILE 132 CO -0.00 -0.97 0.13 -1.14 -1.23 0.00 0.00 174.94 171.72 1orm n ARG 133 N 2.22 -0.89 -1.92 2.79 0.63 -1.26 -4.61 116.66 113.61 1orm n ARG 133 Ca 0.17 0.10 -0.02 0.00 -0.92 0.00 0.00 57.85 57.18 1orm n ARG 133 Cb 0.35 -2.94 -0.01 0.00 0.45 0.00 0.00 32.46 30.31 1orm n ARG 133 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1orm n SER 134 N 1.00 -2.09 -0.88 6.15 7.64 -1.26 -4.96 113.62 119.22 1orm n SER 134 Ca -0.00 0.52 0.11 0.00 1.01 0.00 0.00 58.87 60.51 1orm n SER 134 Cb 0.51 -2.62 -0.05 0.00 -1.01 0.00 0.00 64.21 61.04 1orm n SER 134 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1orm n VAL 135 N 0.55 -0.19 0.00 0.44 0.31 -1.26 -4.97 118.33 113.20 1orm n VAL 135 Ca -0.12 0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 1orm n VAL 135 Cb 0.19 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 1orm n VAL 135 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1orm n ASP 136 N -3.55 0.00 -3.65 4.52 2.03 -1.26 -3.81 116.55 110.83 1orm n ASP 136 Ca -0.04 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.25 1orm n ASP 136 Cb 0.41 0.19 -0.07 0.00 -0.72 0.00 0.00 41.12 40.93 1orm n ASP 136 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1orm s VAL 137 N -1.82 0.00 0.00 5.18 0.11 -1.25 -2.03 120.40 120.59 1orm s VAL 137 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1orm s VAL 137 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1orm s VAL 137 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1orm n GLY 138 N 2.05 2.79 3.12 6.54 0.00 -1.19 -3.92 105.19 114.58 1orm n GLY 138 Ca -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 46.02 43.86 1orm n GLY 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1orm s THR 139 N 2.05 -0.79 -0.27 2.61 -4.23 -1.26 -4.84 115.64 108.91 1orm s THR 139 Ca 0.00 -0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.49 1orm s THR 139 Cb 0.00 -0.88 0.13 0.00 1.34 0.00 0.00 72.50 73.09 1orm s THR 139 CO 0.00 -0.04 0.29 0.86 -0.54 0.00 0.00 174.62 175.19 1orm s TRP 140 N 2.70 -0.48 0.12 3.99 -0.00 -1.02 -4.24 118.94 120.02 1orm s TRP 140 Ca 0.12 0.04 -0.16 0.00 -0.00 0.00 0.00 56.10 56.10 1orm s TRP 140 Cb -0.14 -0.38 0.04 0.00 -0.00 0.00 0.00 33.47 32.99 1orm s TRP 140 CO -0.17 -0.83 0.40 -1.50 -0.00 0.00 0.00 176.95 174.84 1orm s ILE 141 N 2.38 0.07 -0.28 5.86 1.10 -1.26 -3.92 121.20 125.15 1orm s ILE 141 Ca 0.09 -0.57 -0.06 0.00 -0.51 0.00 0.00 60.65 59.61 1orm s ILE 141 Cb -0.14 -1.16 0.01 0.00 0.15 0.00 0.00 42.46 41.32 1orm s ILE 141 CO -0.26 -0.31 0.05 0.00 -2.11 0.00 0.00 174.94 172.30 1orm s ALA 142 N -3.77 2.99 -0.27 1.50 0.00 -1.26 -4.37 121.76 116.57 1orm s ALA 142 Ca 0.03 -1.42 -0.12 0.00 0.00 0.00 0.00 51.96 50.45 1orm s ALA 142 Cb 0.02 -2.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 1orm s ALA 142 CO -0.12 -0.86 0.23 0.20 0.00 0.00 0.00 175.76 175.22 1orm s GLY 143 N 1.47 1.93 -0.26 0.00 0.00 -1.26 -4.30 107.32 104.90 1orm s GLY 143 Ca 0.02 -0.99 -0.13 0.00 0.00 0.00 0.00 44.72 43.62 1orm s GLY 143 CO 0.01 0.69 0.62 0.54 0.00 0.00 0.00 173.10 174.96 1orm s VAL 144 N 1.73 -0.25 0.41 1.40 0.11 -1.24 -4.42 120.40 118.13 1orm s VAL 144 Ca 0.09 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.24 1orm s VAL 144 Cb -0.16 -0.91 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 1orm s VAL 144 CO 0.10 0.01 0.19 -0.83 -3.33 0.00 0.00 175.10 171.24 1orm s GLY 145 N 1.92 2.30 0.33 6.54 0.00 -1.26 -4.20 107.32 112.94 1orm s GLY 145 Ca -0.09 -2.08 0.04 0.00 0.00 0.00 0.00 44.72 42.59 1orm s GLY 145 CO -0.18 -1.89 0.31 -1.72 0.00 0.00 0.00 173.10 169.62 1orm n TYR 146 N -1.25 -1.41 -4.04 1.90 4.02 -1.16 -4.78 117.16 110.43 1orm n TYR 146 Ca -0.01 -1.34 -0.30 0.00 -0.01 0.00 0.00 57.90 56.24 1orm n TYR 146 Cb 0.64 -0.28 -0.06 0.00 -0.02 0.00 0.00 39.34 39.62 1orm n TYR 146 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1orm s ARG 147 N -3.39 2.92 0.00 -0.72 1.70 -1.26 0.19 118.95 118.38 1orm s ARG 147 Ca 0.23 -0.70 0.23 0.00 -0.47 0.00 0.00 55.73 55.03 1orm s ARG 147 Cb -0.02 -2.74 1.38 0.00 -0.57 0.00 0.00 34.95 33.00 1orm s ARG 147 CO 0.15 0.56 1.75 0.34 -1.08 0.00 0.00 175.30 177.01