#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gty s LEU 2 N 0.00 4.30 0.00 -3.43 2.96 -1.26 -4.98 118.68 116.27 2gty s LEU 2 Ca 0.00 1.79 -0.05 0.00 -0.22 0.00 0.00 54.13 55.65 2gty s LEU 2 Cb 0.00 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.15 2gty s LEU 2 CO 0.00 -0.52 0.47 1.07 -1.32 0.00 0.00 176.35 176.06 2gty n THR 3 N 4.43 0.00 -3.76 3.68 5.66 -1.26 -5.18 114.28 117.85 2gty n THR 3 Ca 0.10 -1.22 -0.09 0.00 -3.05 0.00 0.00 64.05 59.78 2gty n THR 3 Cb 0.47 0.85 -0.06 0.00 -1.55 0.00 0.00 70.33 70.04 2gty n THR 3 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 2gty s HIS 4 N -3.42 -0.00 -0.06 1.09 -3.43 -1.26 -5.17 115.29 103.05 2gty s HIS 4 Ca 0.20 -0.38 -0.08 0.00 -0.80 0.00 0.00 55.06 54.01 2gty s HIS 4 Cb -0.02 0.08 0.02 0.00 -1.43 0.00 0.00 32.58 31.23 2gty s HIS 4 CO 0.14 -0.61 0.20 0.50 -2.00 0.00 0.00 174.74 172.97 2gty s ARG 5 N -3.82 0.30 -0.05 -0.38 3.52 -1.26 -5.16 118.95 112.11 2gty s ARG 5 Ca 0.04 0.14 -0.03 0.00 -0.13 0.00 0.00 55.73 55.75 2gty s ARG 5 Cb 0.04 0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.53 2gty s ARG 5 CO -0.11 -0.05 0.10 0.15 -0.81 0.00 0.00 175.30 174.57 2gty s LYS 6 N -0.23 3.21 0.02 5.12 1.02 -1.26 -5.11 119.74 122.51 2gty s LYS 6 Ca -0.03 -0.35 0.02 0.00 0.02 0.00 0.00 55.97 55.63 2gty s LYS 6 Cb -0.03 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 2gty s LYS 6 CO 0.01 0.70 -0.07 -0.06 -0.92 0.00 0.00 175.35 175.00 2gty s PHE 7 N -1.12 0.64 0.00 3.18 0.08 -1.26 -5.11 117.98 114.39 2gty s PHE 7 Ca 0.20 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.98 2gty s PHE 7 Cb -0.12 -0.39 0.00 0.00 -0.57 0.00 0.00 43.02 41.94 2gty s PHE 7 CO 0.10 -0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.60 2gty n GLY 8 N 2.30 -1.34 0.86 4.36 0.00 -1.26 -5.06 105.19 105.04 2gty n GLY 8 Ca -0.17 -2.08 -0.07 0.00 0.00 0.00 0.00 46.02 43.70 2gty n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gty n GLY 9 N 0.00 3.41 3.92 -0.02 0.00 -1.26 -5.13 105.19 106.10 2gty n GLY 9 Ca 0.00 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 2gty n GLY 9 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gty s SER 10 N -1.70 5.39 0.00 1.61 1.04 -1.26 -5.01 113.70 113.77 2gty s SER 10 Ca 0.04 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2gty s SER 10 Cb -0.00 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.55 2gty s SER 10 CO 0.03 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.64 2gty n GLY 11 N -2.70 2.03 0.00 7.32 0.00 -1.26 -5.13 105.19 105.45 2gty n GLY 11 Ca 0.06 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2gty n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gty n GLY 12 N 0.67 -1.63 3.76 -0.02 0.00 -1.26 -4.88 105.19 101.83 2gty n GLY 12 Ca 0.00 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 2gty n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gty s SER 13 N -3.61 6.23 0.53 1.61 0.01 -1.26 -5.08 113.70 112.13 2gty s SER 13 Ca 0.00 0.27 -0.23 0.00 1.31 0.00 0.00 55.95 57.31 2gty s SER 13 Cb 0.00 -2.08 -0.06 0.00 0.21 0.00 0.00 66.02 64.09 2gty s SER 13 CO 0.00 0.23 1.39 -2.65 0.41 0.00 0.00 173.24 172.61 2gty n PRO 14 N 3.20 1.83 -4.19 12.44 -0.02 -1.26 -5.03 135.00 141.98 2gty n PRO 14 Ca -0.17 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 61.87 2gty n PRO 14 Cb 0.53 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 2gty n PRO 14 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2gty s PHE 15 N -1.26 1.01 0.09 6.00 -0.12 -1.26 -4.29 117.98 118.14 2gty s PHE 15 Ca 0.69 -1.08 0.10 0.00 -0.05 0.00 0.00 56.93 56.59 2gty s PHE 15 Cb -0.42 -0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 41.35 2gty s PHE 15 CO 0.51 -0.32 -0.26 0.45 -0.05 0.00 0.00 175.22 175.55 2gty s SER 16 N -3.10 3.15 0.53 1.98 0.15 -1.26 -5.01 113.70 110.14 2gty s SER 16 Ca 0.21 -0.67 0.27 0.00 0.70 0.00 0.00 55.95 56.46 2gty s SER 16 Cb 0.07 -0.24 1.48 0.00 -1.71 0.00 0.00 66.02 65.62 2gty s SER 16 CO 0.01 0.20 2.09 1.23 1.20 0.00 0.00 173.24 177.97 2gty h GLY 17 N 4.28 0.00 -7.25 9.45 0.00 -2.01 -3.39 103.07 104.15 2gty h GLY 17 Ca -0.48 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.21 2gty h GLY 17 CO 0.41 0.00 0.54 -2.27 0.00 0.00 0.00 176.54 175.21 2gty s LEU 18 N -7.38 4.42 -0.18 3.11 2.96 -1.26 -4.86 118.68 115.49 2gty s LEU 18 Ca -0.03 -1.02 0.12 0.00 -0.22 0.00 0.00 54.13 52.98 2gty s LEU 18 Cb 0.13 -2.42 -0.20 0.00 0.50 0.00 0.00 46.19 44.21 2gty s LEU 18 CO 0.58 -1.43 -0.01 -0.24 -1.32 0.00 0.00 176.35 173.94 2gty n SER 19 N 7.66 1.14 -3.66 3.68 2.88 -1.26 -4.85 113.62 119.20 2gty n SER 19 Ca -0.04 -0.03 -0.12 0.00 -1.33 0.00 0.00 58.87 57.35 2gty n SER 19 Cb 0.45 0.60 -0.06 0.00 -0.75 0.00 0.00 64.21 64.45 2gty n SER 19 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2gty s SER 20 N -5.38 -0.25 -0.02 -3.46 1.04 -1.26 -1.28 113.70 103.09 2gty s SER 20 Ca -0.14 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.16 2gty s SER 20 Cb 0.06 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.62 2gty s SER 20 CO 0.66 -0.72 0.06 -0.63 0.98 0.00 0.00 173.24 173.58 2gty s ILE 21 N -2.89 -0.00 0.18 -1.02 1.01 -0.13 -1.17 121.20 117.17 2gty s ILE 21 Ca -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 2gty s ILE 21 Cb 0.00 -0.09 -0.04 0.00 0.01 0.00 0.00 42.46 42.34 2gty s ILE 21 CO -0.05 0.01 0.12 0.00 0.00 0.00 0.00 174.94 175.02 2gty s ALA 22 N 0.12 1.03 0.07 9.38 0.00 -0.32 -0.41 121.76 131.64 2gty s ALA 22 Ca -0.01 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 50.35 2gty s ALA 22 Cb -0.01 1.24 -0.04 0.00 0.00 0.00 0.00 23.12 24.30 2gty s ALA 22 CO -0.00 -0.57 -0.05 0.14 0.00 0.00 0.00 175.76 175.27 2gty s VAL 23 N -4.12 0.48 -0.17 0.00 -7.23 -1.26 -0.18 120.40 107.91 2gty s VAL 23 Ca 0.34 -1.79 -0.06 0.00 -1.81 0.00 0.00 61.98 58.66 2gty s VAL 23 Cb 0.07 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 2gty s VAL 23 CO 0.09 -0.88 0.03 -0.13 -0.31 0.00 0.00 175.10 173.91 2gty s ARG 24 N -3.62 3.82 0.04 4.82 0.52 -0.35 -0.23 118.95 123.94 2gty s ARG 24 Ca 0.07 -0.39 -0.15 0.00 -0.52 0.00 0.00 55.73 54.74 2gty s ARG 24 Cb 0.05 -3.10 0.03 0.00 0.52 0.00 0.00 34.95 32.44 2gty s ARG 24 CO -0.06 0.31 0.34 -1.54 0.02 0.00 0.00 175.30 174.36 2gty s SER 25 N 0.25 -0.18 0.00 0.23 1.04 -0.42 -0.42 113.70 114.20 2gty s SER 25 Ca 0.02 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2gty s SER 25 Cb -0.13 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2gty s SER 25 CO 0.01 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2gty n GLY 26 N 0.59 2.74 0.05 7.32 0.00 -1.26 -0.90 105.19 113.73 2gty n GLY 26 Ca -0.19 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.64 2gty n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gty n SER 27 N 0.00 0.43 -3.66 1.61 3.41 -1.26 -3.50 113.62 110.65 2gty n SER 27 Ca 0.00 0.40 -0.17 0.00 -0.26 0.00 0.00 58.87 58.84 2gty n SER 27 Cb 0.00 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.42 2gty n SER 27 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2gty s TYR 28 N -3.06 1.58 -0.34 7.33 4.12 -1.26 -1.41 117.35 124.32 2gty s TYR 28 Ca 0.12 -1.56 -0.24 0.00 0.02 0.00 0.00 57.07 55.41 2gty s TYR 28 Cb 0.16 -0.69 0.01 0.00 -1.52 0.00 0.00 41.96 39.91 2gty s TYR 28 CO 0.59 -0.77 0.84 -0.51 0.02 0.00 0.00 175.55 175.73 2gty s LEU 29 N -3.32 4.07 0.09 -1.29 1.02 -0.25 -4.39 118.68 114.61 2gty s LEU 29 Ca 0.40 0.60 0.01 0.00 0.02 0.00 0.00 54.13 55.15 2gty s LEU 29 Cb 0.04 -3.14 -0.25 0.00 0.02 0.00 0.00 46.19 42.86 2gty s LEU 29 CO 0.22 -0.72 1.19 0.44 0.02 0.00 0.00 176.35 177.50 2gty h ASP 30 N 8.28 0.24 -4.93 2.29 3.32 -1.04 -1.16 116.42 123.42 2gty h ASP 30 Ca -0.24 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 2gty h ASP 30 Cb 1.09 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.41 2gty h ASP 30 CO 0.92 1.20 0.24 0.00 -1.72 0.00 0.00 179.24 179.89 2gty s ALA 31 N -2.68 -1.69 0.04 3.45 0.00 -1.03 -0.95 121.76 118.90 2gty s ALA 31 Ca -0.02 0.87 0.09 0.00 0.00 0.00 0.00 51.96 52.90 2gty s ALA 31 Cb 0.08 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 2gty s ALA 31 CO 0.86 -0.60 -0.26 -1.50 0.00 0.00 0.00 175.76 174.25 2gty s ILE 32 N -2.69 2.11 -0.19 0.00 2.07 -0.06 -1.21 121.20 121.23 2gty s ILE 32 Ca -0.03 -1.37 0.01 0.00 -1.41 0.00 0.00 60.65 57.85 2gty s ILE 32 Cb -0.01 -1.81 0.03 0.00 0.13 0.00 0.00 42.46 40.81 2gty s ILE 32 CO -0.04 0.37 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.59 2gty s ILE 33 N -0.80 1.79 -0.19 2.00 -1.09 0.74 -0.93 121.20 122.72 2gty s ILE 33 Ca 0.11 -0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 57.58 2gty s ILE 33 Cb -0.10 -1.75 0.01 0.00 -1.58 0.00 0.00 42.46 39.05 2gty s ILE 33 CO 0.02 0.32 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.27 2gty s ILE 34 N 1.36 2.42 -1.56 2.92 -1.09 -0.38 -1.17 121.20 123.70 2gty s ILE 34 Ca 0.01 -0.82 -0.15 0.00 -2.23 0.00 0.00 60.65 57.46 2gty s ILE 34 Cb -0.15 -2.04 0.11 0.00 -1.58 0.00 0.00 42.46 38.80 2gty s ILE 34 CO -0.10 0.51 0.87 0.47 -1.23 0.00 0.00 174.94 175.46 2gty n ASP 35 N 4.62 -4.31 0.00 3.58 8.00 -0.32 -0.89 116.55 127.23 2gty n ASP 35 Ca -0.20 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.51 2gty n ASP 35 Cb 0.50 -3.47 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 2gty n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gty n GLY 36 N -1.54 2.13 3.68 0.44 0.00 -1.26 -5.00 105.19 103.63 2gty n GLY 36 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2gty n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gty s VAL 37 N -3.28 5.08 -0.02 1.61 1.01 -0.07 -5.03 120.40 119.70 2gty s VAL 37 Ca 0.00 1.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.81 2gty s VAL 37 Cb 0.00 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2gty s VAL 37 CO 0.00 0.19 0.81 -2.28 0.00 0.00 0.00 175.10 173.82 2gty s HIS 38 N 1.47 3.64 -0.28 5.22 2.46 -1.26 -1.25 115.29 125.29 2gty s HIS 38 Ca 0.28 1.45 -0.02 0.00 0.47 0.00 0.00 55.06 57.24 2gty s HIS 38 Cb -0.16 -2.92 0.09 0.00 -0.13 0.00 0.00 32.58 29.46 2gty s HIS 38 CO 0.11 0.09 0.08 -1.01 -2.47 0.00 0.00 174.74 171.54 2gty s HIS 39 N 0.70 1.38 -3.03 3.88 3.76 -0.11 -5.01 115.29 116.86 2gty s HIS 39 Ca 0.43 -1.41 0.00 0.00 -0.15 0.00 0.00 55.06 53.93 2gty s HIS 39 Cb -0.19 -1.43 0.00 0.00 1.11 0.00 0.00 32.58 32.06 2gty s HIS 39 CO 0.22 -0.80 0.00 0.41 -0.85 0.00 0.00 174.74 173.72 2gty n GLY 40 N 4.94 0.68 0.00 -2.22 0.00 -1.26 -0.88 105.19 106.45 2gty n GLY 40 Ca -0.05 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2gty n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gty n GLY 41 N 0.00 2.48 0.43 -0.02 0.00 -0.12 -4.80 105.19 103.16 2gty n GLY 41 Ca 0.00 -2.07 0.06 0.00 0.00 0.00 0.00 46.02 44.01 2gty n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gty n SER 42 N -0.96 1.83 -4.19 1.61 3.41 -1.26 -4.56 113.62 109.50 2gty n SER 42 Ca 0.00 -1.42 -0.29 0.00 -0.26 0.00 0.00 58.87 56.90 2gty n SER 42 Cb 0.00 0.15 0.21 0.00 -0.26 0.00 0.00 64.21 64.31 2gty n SER 42 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2gty s GLY 43 N -1.20 1.57 0.00 5.00 0.00 -1.26 -4.90 107.32 106.53 2gty s GLY 43 Ca 0.13 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.15 2gty s GLY 43 CO 0.20 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.98 2gty n GLY 44 N -1.00 -1.22 3.49 0.20 0.00 -1.26 -4.48 105.19 100.91 2gty n GLY 44 Ca 0.10 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 2gty n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gty s ASN 45 N -4.00 4.03 -0.04 1.61 0.01 -0.08 -4.76 114.94 111.71 2gty s ASN 45 Ca 0.00 -0.26 -0.30 0.00 -0.71 0.00 0.00 52.86 51.59 2gty s ASN 45 Cb 0.00 -0.80 -0.04 0.00 0.41 0.00 0.00 41.25 40.82 2gty s ASN 45 CO 0.00 0.31 1.22 -0.22 -1.51 0.00 0.00 177.10 176.90 2gty s LEU 46 N -1.05 4.29 0.75 0.60 2.96 -1.26 -1.30 118.68 123.67 2gty s LEU 46 Ca 0.13 1.87 -0.11 0.00 -0.22 0.00 0.00 54.13 55.79 2gty s LEU 46 Cb -0.11 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.06 2gty s LEU 46 CO 0.03 -0.59 1.09 -0.94 -1.32 0.00 0.00 176.35 174.62 2gty s SER 47 N 1.49 4.95 0.85 3.68 1.04 0.68 -5.00 113.70 121.39 2gty s SER 47 Ca 0.57 1.35 -0.12 0.00 0.48 0.00 0.00 55.95 58.23 2gty s SER 47 Cb -0.26 -2.14 0.11 0.00 0.10 0.00 0.00 66.02 63.83 2gty s SER 47 CO 0.23 -1.68 1.17 -2.84 0.98 0.00 0.00 173.24 171.10 2gty s PRO 48 N -5.17 1.37 -0.02 4.02 0.02 -1.26 -4.63 135.00 129.33 2gty s PRO 48 Ca 0.59 1.64 -0.26 0.00 0.02 0.00 0.00 61.00 62.99 2gty s PRO 48 Cb -0.13 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 2gty s PRO 48 CO 0.54 -2.39 0.81 0.99 -0.33 0.00 0.00 177.00 176.62 2gty s THR 49 N -2.41 4.91 -0.31 0.99 2.01 -1.26 -4.60 115.64 114.97 2gty s THR 49 Ca 0.70 1.69 -0.14 0.00 0.31 0.00 0.00 61.69 64.25 2gty s THR 49 Cb -0.25 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 2gty s THR 49 CO 0.54 0.25 0.30 0.12 -0.69 0.00 0.00 174.62 175.13 2gty s PHE 50 N 0.68 3.22 -0.19 4.92 5.36 0.45 -4.96 117.98 127.45 2gty s PHE 50 Ca 0.43 0.07 -0.04 0.00 -0.96 0.00 0.00 56.93 56.43 2gty s PHE 50 Cb -0.19 -2.54 -0.02 0.00 -0.34 0.00 0.00 43.02 39.93 2gty s PHE 50 CO 0.22 -0.31 -0.04 0.99 -1.46 0.00 0.00 175.22 174.63 2gty s THR 51 N 1.90 3.54 0.27 0.12 2.01 -1.26 -0.96 115.64 121.27 2gty s THR 51 Ca 0.10 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 2gty s THR 51 Cb -0.16 -2.58 -0.10 0.00 0.01 0.00 0.00 72.50 69.67 2gty s THR 51 CO 0.11 0.45 1.30 -0.36 -0.69 0.00 0.00 174.62 175.43 2gty s PHE 52 N 1.06 3.17 0.92 4.92 0.08 -0.41 -5.01 117.98 122.72 2gty s PHE 52 Ca 0.01 1.34 -0.12 0.00 0.12 0.00 0.00 56.93 58.28 2gty s PHE 52 Cb -0.15 -3.63 0.14 0.00 -0.57 0.00 0.00 43.02 38.82 2gty s PHE 52 CO 0.00 -1.81 1.10 0.20 -0.10 0.00 0.00 175.22 174.61 2gty s GLY 53 N -0.16 1.60 0.26 4.36 0.00 -1.26 -4.93 107.32 107.19 2gty s GLY 53 Ca 0.52 -0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.73 2gty s GLY 53 CO 0.46 0.32 1.55 -0.45 0.00 0.00 0.00 173.10 174.97 2gty s SER 54 N -3.54 6.48 0.00 1.64 0.15 -1.26 -1.60 113.70 115.57 2gty s SER 54 Ca 0.64 2.83 0.00 0.00 0.70 0.00 0.00 55.95 60.12 2gty s SER 54 Cb -0.17 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 2gty s SER 54 CO 0.56 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2gty n GLY 55 N 2.39 0.46 3.79 9.45 0.00 -1.26 -5.01 105.19 115.01 2gty n GLY 55 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2gty n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gty s GLU 56 N -0.52 3.71 0.15 1.61 2.12 -0.63 -4.96 118.70 120.18 2gty s GLU 56 Ca 0.00 -0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.05 2gty s GLU 56 Cb 0.00 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 2gty s GLU 56 CO 0.00 0.56 0.25 1.52 -0.54 0.00 0.00 175.26 177.05 2gty s TYR 57 N -0.41 0.40 0.01 5.30 -0.85 -1.26 -4.71 117.35 115.82 2gty s TYR 57 Ca 0.11 -0.77 -0.30 0.00 -0.52 0.00 0.00 57.07 55.59 2gty s TYR 57 Cb -0.12 -0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.08 2gty s TYR 57 CO 0.01 -0.67 1.31 0.42 -1.52 0.00 0.00 175.55 175.10 2gty s ILE 58 N -3.96 3.88 -0.17 -3.49 1.01 -1.26 -1.15 121.20 116.07 2gty s ILE 58 Ca 0.16 1.28 0.06 0.00 0.00 0.00 0.00 60.65 62.14 2gty s ILE 58 Cb 0.04 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.61 2gty s ILE 58 CO -0.02 0.02 0.20 -1.54 0.00 0.00 0.00 174.94 173.61 2gty n SER 59 N 4.95 1.56 -3.76 3.58 3.41 -0.11 -1.51 113.62 121.74 2gty n SER 59 Ca 0.12 -0.39 -0.13 0.00 -0.26 0.00 0.00 58.87 58.21 2gty n SER 59 Cb 0.45 1.10 -0.11 0.00 -0.26 0.00 0.00 64.21 65.39 2gty n SER 59 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2gty s ASN 60 N -1.97 -0.33 -0.10 4.04 3.84 -0.96 -1.63 114.94 117.82 2gty s ASN 60 Ca 0.01 0.63 -0.08 0.00 0.21 0.00 0.00 52.86 53.63 2gty s ASN 60 Cb 0.04 0.62 0.03 0.00 -0.55 0.00 0.00 41.25 41.39 2gty s ASN 60 CO 0.24 -0.12 0.26 -0.32 -2.79 0.00 0.00 177.10 174.37 2gty s MET 61 N 0.39 0.28 -0.15 0.43 -2.45 -0.24 -0.90 119.30 116.66 2gty s MET 61 Ca -0.02 0.42 0.01 0.00 -1.25 0.00 0.00 55.69 54.85 2gty s MET 61 Cb -0.04 0.07 0.01 0.00 1.25 0.00 0.00 34.83 36.12 2gty s MET 61 CO -0.02 -0.07 -0.19 0.99 1.05 0.00 0.00 175.02 176.78 2gty s THR 62 N 0.47 2.31 -0.14 10.11 2.01 -0.30 -0.61 115.64 129.49 2gty s THR 62 Ca -0.03 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.10 2gty s THR 62 Cb -0.04 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.53 2gty s THR 62 CO -0.02 0.53 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.62 2gty s ILE 63 N 0.88 1.86 -0.16 1.82 1.01 -0.04 -1.36 121.20 125.20 2gty s ILE 63 Ca -0.05 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 2gty s ILE 63 Cb -0.15 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 2gty s ILE 63 CO -0.02 0.51 0.25 -0.13 0.00 0.00 0.00 174.94 175.55 2gty s ARG 64 N 1.05 4.20 0.01 2.79 0.52 -0.30 -0.81 118.95 126.41 2gty s ARG 64 Ca -0.03 0.02 -0.22 0.00 -0.52 0.00 0.00 55.73 54.97 2gty s ARG 64 Cb -0.14 -3.41 0.05 0.00 0.52 0.00 0.00 34.95 31.96 2gty s ARG 64 CO -0.05 0.28 0.50 -1.54 0.02 0.00 0.00 175.30 174.51 2gty s SER 65 N 0.35 -0.42 0.00 0.23 1.04 -0.33 0.03 113.70 114.59 2gty s SER 65 Ca 0.15 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2gty s SER 65 Cb -0.13 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2gty s SER 65 CO 0.03 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2gty n GLY 66 N 0.72 2.87 0.20 7.32 0.00 -1.26 -0.28 105.19 114.75 2gty n GLY 66 Ca -0.19 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.63 2gty n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gty h ASP 67 N 0.00 0.00 -4.16 1.61 3.32 -2.00 -3.46 116.42 111.73 2gty h ASP 67 Ca 0.00 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.64 2gty h ASP 67 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 2gty h ASP 67 CO 0.00 0.00 -0.59 -0.31 -1.72 0.00 0.00 179.24 176.62 2gty s TYR 68 N -3.33 1.66 -0.18 4.55 2.02 -1.26 -4.80 117.35 116.02 2gty s TYR 68 Ca 0.06 -1.19 -0.28 0.00 -0.37 0.00 0.00 57.07 55.28 2gty s TYR 68 Cb 0.08 -0.99 -0.00 0.00 -0.40 0.00 0.00 41.96 40.65 2gty s TYR 68 CO 0.58 -0.31 0.97 0.42 -1.57 0.00 0.00 175.55 175.64 2gty s ILE 69 N -3.57 4.77 -0.18 2.71 -1.09 -0.23 -4.39 121.20 119.22 2gty s ILE 69 Ca 0.36 1.92 0.18 0.00 -2.23 0.00 0.00 60.65 60.88 2gty s ILE 69 Cb 0.07 -4.26 -0.25 0.00 -1.58 0.00 0.00 42.46 36.43 2gty s ILE 69 CO 0.15 -0.07 0.15 0.47 -1.23 0.00 0.00 174.94 174.42 2gty n ASP 70 N 5.62 0.09 -3.60 3.58 8.00 0.10 -1.09 116.55 129.25 2gty n ASP 70 Ca 0.09 0.04 -0.15 0.00 0.71 0.00 0.00 54.79 55.48 2gty n ASP 70 Cb 0.48 0.95 -0.07 0.00 -0.02 0.00 0.00 41.12 42.46 2gty n ASP 70 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2gty s ASN 71 N -5.49 -0.70 -0.01 -2.24 3.84 -0.98 -0.53 114.94 108.83 2gty s ASN 71 Ca -0.09 1.18 0.03 0.00 0.21 0.00 0.00 52.86 54.18 2gty s ASN 71 Cb 0.07 1.13 -0.00 0.00 -0.55 0.00 0.00 41.25 41.89 2gty s ASN 71 CO 0.83 -0.35 -0.09 -0.63 -2.79 0.00 0.00 177.10 174.07 2gty s ILE 72 N -0.13 0.74 0.03 -5.21 1.01 -0.54 -1.15 121.20 115.95 2gty s ILE 72 Ca -0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.14 2gty s ILE 72 Cb -0.03 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.81 2gty s ILE 72 CO 0.03 0.21 0.19 -0.94 0.00 0.00 0.00 174.94 174.43 2gty s SER 73 N -0.12 0.03 0.16 3.58 1.04 -0.47 -1.52 113.70 116.41 2gty s SER 73 Ca 0.02 -0.35 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 2gty s SER 73 Cb -0.05 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.37 2gty s SER 73 CO -0.00 -0.53 0.43 0.72 0.98 0.00 0.00 173.24 174.83 2gty s PHE 74 N -2.41 -0.03 0.05 5.02 -0.12 -0.55 -1.16 117.98 118.78 2gty s PHE 74 Ca -0.06 -0.31 0.07 0.00 -0.05 0.00 0.00 56.93 56.57 2gty s PHE 74 Cb -0.02 0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.59 2gty s PHE 74 CO -0.03 -0.80 -0.19 -2.00 -0.05 0.00 0.00 175.22 172.15 2gty s GLU 75 N -3.87 1.23 0.51 1.99 2.12 -0.08 -1.12 118.70 119.47 2gty s GLU 75 Ca 0.09 -0.93 0.04 0.00 0.36 0.00 0.00 54.97 54.53 2gty s GLU 75 Cb 0.01 -1.33 0.03 0.00 0.26 0.00 0.00 34.13 33.09 2gty s GLU 75 CO -0.05 0.33 0.70 0.95 -0.54 0.00 0.00 175.26 176.66 2gty s THR 76 N -0.87 2.78 -0.48 -1.70 -4.23 0.10 -0.94 115.64 110.29 2gty s THR 76 Ca 0.06 -0.78 0.19 0.00 -1.18 0.00 0.00 61.69 59.97 2gty s THR 76 Cb -0.09 -2.99 0.19 0.00 1.34 0.00 0.00 72.50 70.95 2gty s THR 76 CO 0.02 0.00 1.58 -0.46 -0.54 0.00 0.00 174.62 175.22 2gty n ASN 77 N -2.17 0.47 -1.19 3.99 6.94 -0.30 -1.11 115.26 121.89 2gty n ASN 77 Ca 0.08 0.67 0.12 0.00 -0.02 0.00 0.00 54.58 55.43 2gty n ASN 77 Cb 0.59 -0.75 0.24 0.00 -2.36 0.00 0.00 39.78 37.51 2gty n ASN 77 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2gty n MET 78 N -2.08 2.56 -0.78 -3.83 2.81 -1.26 -4.96 117.12 109.57 2gty n MET 78 Ca 0.01 -2.39 0.00 0.00 -1.81 0.00 0.00 57.70 53.50 2gty n MET 78 Cb 0.11 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 2gty n MET 78 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gty n GLY 79 N 1.51 0.68 3.84 3.03 0.00 -0.26 -5.04 105.19 108.93 2gty n GLY 79 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2gty n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gty s ARG 80 N -0.22 3.86 0.06 1.61 0.52 -1.26 -4.79 118.95 118.74 2gty s ARG 80 Ca 0.00 1.00 0.04 0.00 -0.52 0.00 0.00 55.73 56.25 2gty s ARG 80 Cb 0.00 -2.12 -0.03 0.00 0.52 0.00 0.00 34.95 33.32 2gty s ARG 80 CO 0.00 -0.35 -0.12 1.03 0.02 0.00 0.00 175.30 175.88 2gty s ARG 81 N -4.04 0.74 -0.03 3.54 0.52 -1.26 -0.72 118.95 117.69 2gty s ARG 81 Ca 0.60 -0.87 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 2gty s ARG 81 Cb -0.11 -0.69 -0.00 0.00 0.52 0.00 0.00 34.95 34.68 2gty s ARG 81 CO 0.32 0.15 -0.13 0.12 0.02 0.00 0.00 175.30 175.77 2gty s PHE 82 N -1.24 1.33 0.00 -0.53 5.36 -0.28 -5.00 117.98 117.62 2gty s PHE 82 Ca -0.04 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 2gty s PHE 82 Cb -0.10 -0.91 0.00 0.00 -0.34 0.00 0.00 43.02 41.68 2gty s PHE 82 CO 0.02 -0.12 0.00 0.41 -1.46 0.00 0.00 175.22 174.07 2gty n GLY 83 N 3.16 -1.55 3.77 13.12 0.00 -1.26 -1.49 105.19 120.94 2gty n GLY 83 Ca -0.18 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 2gty n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gty s PRO 84 N 0.00 4.03 -0.06 1.61 0.04 -1.26 -4.90 135.00 134.46 2gty s PRO 84 Ca 0.00 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.11 2gty s PRO 84 Cb 0.00 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2gty s PRO 84 CO 0.00 -0.40 -0.17 0.71 0.04 0.00 0.00 177.00 177.18 2gty s TYR 85 N -1.31 1.76 -1.01 0.56 2.02 -0.58 -4.98 117.35 113.81 2gty s TYR 85 Ca 0.56 -0.57 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 2gty s TYR 85 Cb -0.35 -1.21 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 2gty s TYR 85 CO 0.45 -0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.61 2gty n GLY 86 N 3.36 0.59 0.00 0.71 0.00 -1.26 -1.46 105.19 107.13 2gty n GLY 86 Ca -0.19 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.66 2gty n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gty n GLY 87 N 0.00 3.67 0.85 -0.02 0.00 0.32 -4.71 105.19 105.30 2gty n GLY 87 Ca 0.00 -2.10 0.09 0.00 0.00 0.00 0.00 46.02 44.01 2gty n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gty n SER 88 N -1.09 2.92 -3.64 1.61 3.41 -1.26 -4.55 113.62 111.01 2gty n SER 88 Ca 0.00 -1.85 -0.28 0.00 -0.26 0.00 0.00 58.87 56.48 2gty n SER 88 Cb 0.00 -0.16 0.21 0.00 -0.26 0.00 0.00 64.21 64.01 2gty n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gty n GLY 89 N 1.06 -2.10 0.24 5.00 0.00 -1.26 -4.99 105.19 103.15 2gty n GLY 89 Ca 0.14 -1.60 0.03 0.00 0.00 0.00 0.00 46.02 44.59 2gty n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gty n GLY 90 N -3.73 -1.80 3.75 -0.02 0.00 -1.26 -4.51 105.19 97.62 2gty n GLY 90 Ca 0.15 -1.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 2gty n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gty s SER 91 N -4.42 6.83 -0.06 1.61 0.15 0.61 -4.69 113.70 113.73 2gty s SER 91 Ca 0.00 0.99 -0.27 0.00 0.70 0.00 0.00 55.95 57.37 2gty s SER 91 Cb 0.00 -2.32 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 2gty s SER 91 CO 0.00 0.06 0.86 0.00 1.20 0.00 0.00 173.24 175.35 2gty s ALA 92 N 0.18 3.30 -0.03 5.45 0.00 -1.26 -1.18 121.76 128.21 2gty s ALA 92 Ca 0.29 0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.58 2gty s ALA 92 Cb -0.17 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 2gty s ALA 92 CO 0.14 -0.28 -0.15 -0.80 0.00 0.00 0.00 175.76 174.66 2gty s ASN 93 N 0.96 1.89 0.04 0.00 0.01 0.01 -4.99 114.94 112.86 2gty s ASN 93 Ca 0.44 -0.30 0.08 0.00 -0.71 0.00 0.00 52.86 52.37 2gty s ASN 93 Cb -0.19 -0.46 -0.03 0.00 0.41 0.00 0.00 41.25 40.98 2gty s ASN 93 CO 0.21 0.14 -0.24 -0.89 -1.51 0.00 0.00 177.10 174.81 2gty s THR 94 N -0.00 1.97 -0.12 1.60 2.01 -1.26 -0.86 115.64 118.98 2gty s THR 94 Ca -0.02 -1.29 -0.01 0.00 0.31 0.00 0.00 61.69 60.69 2gty s THR 94 Cb -0.10 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 2gty s THR 94 CO 0.01 0.34 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.44 2gty s LEU 95 N -1.13 3.03 0.03 4.42 1.43 0.22 -4.98 118.68 121.70 2gty s LEU 95 Ca 0.10 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2gty s LEU 95 Cb -0.10 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 2gty s LEU 95 CO 0.02 0.23 -0.07 -0.44 0.23 0.00 0.00 176.35 176.32 2gty s SER 96 N -0.02 0.79 -1.32 2.29 0.01 -1.26 -1.07 113.70 113.11 2gty s SER 96 Ca -0.01 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 56.82 2gty s SER 96 Cb -0.14 0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.11 2gty s SER 96 CO 0.03 -0.12 0.87 0.59 0.41 0.00 0.00 173.24 175.02 2gty n ASN 97 N 1.94 -2.46 -4.80 2.44 5.03 -0.73 -4.79 115.26 111.88 2gty n ASN 97 Ca -0.20 -0.74 -0.27 0.00 0.87 0.00 0.00 54.58 54.25 2gty n ASN 97 Cb 0.56 -4.39 -0.05 0.00 -1.02 0.00 0.00 39.78 34.87 2gty n ASN 97 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2gty s VAL 98 N -3.50 1.82 -0.20 2.41 -7.23 -0.65 -1.05 120.40 112.00 2gty s VAL 98 Ca 0.16 -1.69 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2gty s VAL 98 Cb -0.08 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.41 2gty s VAL 98 CO 0.79 0.00 -0.01 -0.75 -0.31 0.00 0.00 175.10 174.81 2gty s LYS 99 N -4.03 1.14 0.02 4.82 2.20 0.23 -4.00 119.74 120.11 2gty s LYS 99 Ca 0.31 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 2gty s LYS 99 Cb 0.01 -2.26 -0.05 0.00 -1.51 0.00 0.00 37.83 34.03 2gty s LYS 99 CO 0.18 -0.59 1.19 0.08 -0.36 0.00 0.00 175.35 175.85 2gty s VAL 100 N 1.65 4.15 -0.23 4.02 1.01 -0.57 -0.94 120.40 129.50 2gty s VAL 100 Ca -0.02 1.53 -0.07 0.00 0.00 0.00 0.00 61.98 63.41 2gty s VAL 100 Cb -0.17 -3.98 -0.18 0.00 0.00 0.00 0.00 36.38 32.05 2gty s VAL 100 CO -0.07 0.07 -0.07 -0.38 0.00 0.00 0.00 175.10 174.65 2gty n ILE 101 N 4.18 1.57 -3.68 2.22 2.08 0.72 -4.60 119.36 121.85 2gty n ILE 101 Ca 0.10 -0.47 -0.13 0.00 0.56 0.00 0.00 62.75 62.80 2gty n ILE 101 Cb 0.47 -1.69 -0.07 0.00 -0.75 0.00 0.00 39.64 37.60 2gty n ILE 101 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2gty s GLN 102 N -2.50 0.88 -0.25 0.38 2.00 -0.94 -4.64 119.66 114.58 2gty s GLN 102 Ca -0.32 -0.31 0.02 0.00 -2.00 0.00 0.00 55.36 52.74 2gty s GLN 102 Cb 0.10 0.39 0.06 0.00 0.80 0.00 0.00 33.01 34.36 2gty s GLN 102 CO 0.61 -0.29 -0.08 0.42 -0.50 0.00 0.00 175.29 175.45 2gty s ILE 103 N -2.23 1.91 0.57 -2.34 1.01 -1.26 -1.02 121.20 117.84 2gty s ILE 103 Ca -0.07 -1.50 0.06 0.00 0.00 0.00 0.00 60.65 59.14 2gty s ILE 103 Cb -0.01 -2.10 0.06 0.00 0.01 0.00 0.00 42.46 40.41 2gty s ILE 103 CO -0.01 -0.09 0.47 0.20 0.00 0.00 0.00 174.94 175.52 2gty s ASN 104 N 1.21 4.66 0.00 3.58 0.01 -0.27 -4.98 114.94 119.15 2gty s ASN 104 Ca -0.07 -1.25 0.00 0.00 -0.71 0.00 0.00 52.86 50.84 2gty s ASN 104 Cb -0.19 0.54 0.00 0.00 0.41 0.00 0.00 41.25 42.00 2gty s ASN 104 CO -0.06 -1.21 0.00 0.61 -1.51 0.00 0.00 177.10 174.93 2gty n GLY 105 N -1.88 -0.74 2.94 0.66 0.00 -1.26 -0.55 105.19 104.36 2gty n GLY 105 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 2gty n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gty s SER 106 N -4.00 -0.06 0.05 1.61 0.15 -0.50 -4.90 113.70 106.05 2gty s SER 106 Ca 0.00 0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.65 2gty s SER 106 Cb 0.00 0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.45 2gty s SER 106 CO 0.00 -0.03 0.25 0.00 1.20 0.00 0.00 173.24 174.66 2gty s ALA 107 N -0.02 -0.50 0.00 5.45 0.00 -1.26 -1.68 121.76 123.75 2gty s ALA 107 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2gty s ALA 107 Cb -0.01 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2gty s ALA 107 CO 0.00 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2gty n GLY 108 N 0.50 2.52 0.22 0.00 0.00 -1.26 -4.85 105.19 102.32 2gty n GLY 108 Ca -0.18 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.68 2gty n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gty h ASP 109 N 0.00 0.00 -3.72 1.61 3.32 -1.90 -3.23 116.42 112.51 2gty h ASP 109 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 2gty h ASP 109 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 2gty h ASP 109 CO 0.00 0.06 -0.57 -0.31 -1.72 0.00 0.00 179.24 176.70 2gty s TYR 110 N -3.28 1.76 -0.61 4.55 2.02 -1.26 -2.08 117.35 118.46 2gty s TYR 110 Ca 0.05 -1.17 -0.23 0.00 -0.37 0.00 0.00 57.07 55.36 2gty s TYR 110 Cb 0.06 -1.10 0.06 0.00 -0.40 0.00 0.00 41.96 40.58 2gty s TYR 110 CO 0.66 -0.24 0.95 -1.17 -1.57 0.00 0.00 175.55 174.18 2gty s LEU 111 N -3.47 4.24 -0.00 -1.29 2.96 -0.44 -4.45 118.68 116.24 2gty s LEU 111 Ca 0.33 -0.70 -0.20 0.00 -0.22 0.00 0.00 54.13 53.34 2gty s LEU 111 Cb 0.06 -2.60 -0.23 0.00 0.50 0.00 0.00 46.19 43.92 2gty s LEU 111 CO 0.15 -1.34 1.10 0.44 -1.32 0.00 0.00 176.35 175.38 2gty h ASP 112 N 9.45 0.49 -5.09 3.68 3.32 -1.64 -0.58 116.42 126.05 2gty h ASP 112 Ca -0.28 -0.75 -0.05 0.00 0.02 0.00 0.00 57.03 55.97 2gty h ASP 112 Cb 1.07 -0.15 -0.12 0.00 0.22 0.00 0.00 39.33 40.35 2gty h ASP 112 CO 1.14 1.18 -0.07 -0.94 -1.72 0.00 0.00 179.24 178.82 2gty s SER 113 N -6.68 -0.22 0.02 6.45 1.04 -0.86 -3.66 113.70 109.80 2gty s SER 113 Ca -0.14 -0.38 0.05 0.00 0.48 0.00 0.00 55.95 55.97 2gty s SER 113 Cb 0.03 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 2gty s SER 113 CO 0.81 -0.89 -0.16 -0.76 0.98 0.00 0.00 173.24 173.22 2gty s LEU 114 N -2.83 2.12 -0.29 2.42 1.43 -1.26 -1.41 118.68 118.85 2gty s LEU 114 Ca 0.05 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2gty s LEU 114 Cb 0.01 -0.76 0.08 0.00 0.03 0.00 0.00 46.19 45.55 2gty s LEU 114 CO -0.10 0.12 -0.02 -0.62 0.23 0.00 0.00 176.35 175.96 2gty s ASP 115 N -0.85 4.44 -0.25 2.29 -1.08 0.28 -4.90 116.67 116.60 2gty s ASP 115 Ca 0.05 -1.68 -0.12 0.00 -0.52 0.00 0.00 52.55 50.28 2gty s ASP 115 Cb -0.07 -1.47 -0.05 0.00 -1.46 0.00 0.00 42.92 39.87 2gty s ASP 115 CO 0.01 -0.29 0.22 -0.63 0.52 0.00 0.00 175.17 174.99 2gty s ILE 116 N 1.11 5.31 -0.20 4.11 1.01 -1.26 -1.11 121.20 130.16 2gty s ILE 116 Ca 0.01 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 2gty s ILE 116 Cb -0.19 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 2gty s ILE 116 CO -0.08 0.28 0.17 -0.31 0.00 0.00 0.00 174.94 175.00 2gty s TYR 117 N 1.46 3.40 0.13 3.97 2.02 -0.19 -5.00 117.35 123.15 2gty s TYR 117 Ca 0.09 0.37 -0.19 0.00 -0.37 0.00 0.00 57.07 56.97 2gty s TYR 117 Cb -0.15 -2.22 0.05 0.00 -0.40 0.00 0.00 41.96 39.24 2gty s TYR 117 CO 0.08 0.24 0.48 1.52 -1.57 0.00 0.00 175.55 176.30 2gty s TYR 118 N 0.50 -0.34 -0.17 2.71 -0.85 -1.26 -0.20 117.35 117.75 2gty s TYR 118 Ca 0.10 0.08 -0.12 0.00 -0.52 0.00 0.00 57.07 56.61 2gty s TYR 118 Cb -0.12 0.37 -0.05 0.00 0.38 0.00 0.00 41.96 42.54 2gty s TYR 118 CO 0.00 -0.75 0.23 -1.21 -1.52 0.00 0.00 175.55 172.31 2gty s GLU 119 N -3.67 4.18 -0.27 -3.49 2.02 -0.11 -4.92 118.70 112.44 2gty s GLU 119 Ca 0.02 -0.01 -0.16 0.00 0.02 0.00 0.00 54.97 54.83 2gty s GLU 119 Cb 0.01 -3.41 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 2gty s GLU 119 CO -0.12 0.30 0.42 -1.14 0.02 0.00 0.00 175.26 174.74 2gty s GLN 120 N 0.32 4.03 0.00 1.61 2.00 -1.26 -0.60 119.66 125.75 2gty s GLN 120 Ca 0.14 0.13 0.24 0.00 -2.00 0.00 0.00 55.36 53.87 2gty s GLN 120 Cb -0.12 -3.66 0.26 0.00 0.80 0.00 0.00 33.01 30.29 2gty s GLN 120 CO 0.02 -0.31 1.30 0.66 -0.50 0.00 0.00 175.29 176.46