#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdy s GLN 3 N 0.00 0.30 0.17 5.55 -0.21 -1.26 -2.25 119.66 121.95 1sdy s GLN 3 Ca 0.00 0.90 0.01 0.00 0.02 0.00 0.00 55.36 56.29 1sdy s GLN 3 Cb 0.00 0.12 -0.05 0.00 1.00 0.00 0.00 33.01 34.09 1sdy s GLN 3 CO 0.00 -0.33 0.00 0.00 -2.12 0.00 0.00 175.29 172.85 1sdy s ALA 4 N 2.57 1.28 -0.04 6.09 0.00 -0.69 -0.98 121.76 129.99 1sdy s ALA 4 Ca 0.01 -1.57 -0.11 0.00 0.00 0.00 0.00 51.96 50.29 1sdy s ALA 4 Cb -0.13 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1sdy s ALA 4 CO -0.13 -0.33 0.25 0.54 0.00 0.00 0.00 175.76 176.10 1sdy s VAL 5 N -3.70 0.05 -0.14 0.00 0.11 0.24 -1.45 120.40 115.51 1sdy s VAL 5 Ca 0.23 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1sdy s VAL 5 Cb 0.06 -0.50 0.02 0.00 -1.53 0.00 0.00 36.38 34.44 1sdy s VAL 5 CO 0.03 -0.21 -0.11 0.00 -3.33 0.00 0.00 175.10 171.48 1sdy s ALA 6 N -0.87 1.65 -0.40 1.54 0.00 -0.32 0.25 121.76 123.61 1sdy s ALA 6 Ca -0.10 -0.77 -0.23 0.00 0.00 0.00 0.00 51.96 50.86 1sdy s ALA 6 Cb -0.05 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1sdy s ALA 6 CO 0.02 -0.42 0.77 0.08 0.00 0.00 0.00 175.76 176.21 1sdy s VAL 7 N 1.57 4.71 -0.02 0.00 1.01 -1.26 -0.54 120.40 125.87 1sdy s VAL 7 Ca 0.05 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 1sdy s VAL 7 Cb -0.13 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1sdy s VAL 7 CO -0.10 -0.55 0.98 -0.76 0.00 0.00 0.00 175.10 174.67 1sdy s LEU 8 N 3.15 4.35 0.11 3.92 1.43 0.24 -4.23 118.68 127.65 1sdy s LEU 8 Ca 0.30 1.64 -0.05 0.00 -1.03 0.00 0.00 54.13 54.98 1sdy s LEU 8 Cb -0.13 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 1sdy s LEU 8 CO 0.19 -0.29 0.13 -0.54 0.23 0.00 0.00 176.35 176.08 1sdy s LYS 9 N 1.17 0.90 0.00 1.70 1.02 -0.16 -2.28 119.74 122.08 1sdy s LYS 9 Ca 0.51 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 55.30 1sdy s LYS 9 Cb -0.21 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 1sdy s LYS 9 CO 0.26 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 1sdy n GLY 10 N -0.07 1.18 0.01 -3.33 0.00 -1.26 -1.43 105.19 100.30 1sdy n GLY 10 Ca -0.10 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.38 1sdy n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sdy n ASP 11 N 0.00 1.87 -1.14 1.61 8.00 -1.24 -4.66 116.55 121.00 1sdy n ASP 11 Ca 0.00 -2.05 0.03 0.00 0.71 0.00 0.00 54.79 53.48 1sdy n ASP 11 Cb 0.00 -0.05 0.25 0.00 -0.02 0.00 0.00 41.12 41.30 1sdy n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sdy n ALA 12 N -0.56 3.61 -0.17 2.24 0.00 -1.26 -4.89 120.51 119.48 1sdy n ALA 12 Ca 0.02 -2.56 0.00 0.00 0.00 0.00 0.00 53.44 50.90 1sdy n ALA 12 Cb 0.31 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1sdy n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdy n GLY 13 N -0.65 2.34 3.73 0.00 0.00 -1.26 -5.00 105.19 104.35 1sdy n GLY 13 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1sdy n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sdy s VAL 14 N -3.06 4.08 0.12 1.61 0.11 -1.26 -4.39 120.40 117.60 1sdy s VAL 14 Ca 0.00 1.71 -0.23 0.00 -2.93 0.00 0.00 61.98 60.53 1sdy s VAL 14 Cb 0.00 -4.09 0.06 0.00 -1.53 0.00 0.00 36.38 30.82 1sdy s VAL 14 CO 0.00 0.25 0.56 -0.94 -3.33 0.00 0.00 175.10 171.64 1sdy s SER 15 N 0.17 -0.50 0.00 3.54 1.04 -0.36 -3.98 113.70 113.61 1sdy s SER 15 Ca 0.51 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1sdy s SER 15 Cb -0.28 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1sdy s SER 15 CO 0.33 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1sdy n GLY 16 N -0.10 -1.70 2.95 7.32 0.00 -0.97 -1.14 105.19 111.56 1sdy n GLY 16 Ca -0.17 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 1sdy n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sdy s VAL 17 N -2.44 0.56 -0.13 1.61 0.11 -0.50 0.80 120.40 120.43 1sdy s VAL 17 Ca 0.00 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 1sdy s VAL 17 Cb 0.00 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 1sdy s VAL 17 CO 0.00 0.19 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.07 1sdy s VAL 18 N 0.28 2.30 -0.15 2.04 1.01 0.29 -2.25 120.40 123.93 1sdy s VAL 18 Ca -0.04 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 1sdy s VAL 18 Cb -0.08 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1sdy s VAL 18 CO 0.00 0.54 -0.06 -0.54 0.00 0.00 0.00 175.10 175.04 1sdy s LYS 19 N 0.59 3.59 -0.11 2.72 1.02 0.56 -1.18 119.74 126.93 1sdy s LYS 19 Ca -0.12 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.32 1sdy s LYS 19 Cb -0.16 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 1sdy s LYS 19 CO 0.03 0.23 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.52 1sdy s PHE 20 N 0.36 2.81 -0.07 3.18 0.40 -0.53 -0.05 117.98 124.07 1sdy s PHE 20 Ca -0.06 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1sdy s PHE 20 Cb -0.15 -1.78 0.02 0.00 0.51 0.00 0.00 43.02 41.62 1sdy s PHE 20 CO 0.04 -0.05 -0.06 -2.00 0.70 0.00 0.00 175.22 173.85 1sdy s GLU 21 N -0.03 1.11 -0.22 0.44 2.12 0.33 -1.71 118.70 120.74 1sdy s GLU 21 Ca -0.03 -0.15 -0.03 0.00 0.36 0.00 0.00 54.97 55.12 1sdy s GLU 21 Cb -0.14 -1.15 0.11 0.00 0.26 0.00 0.00 34.13 33.21 1sdy s GLU 21 CO 0.04 -0.15 0.29 -1.14 -0.54 0.00 0.00 175.26 173.76 1sdy s GLN 22 N 1.27 0.26 0.13 4.30 0.74 -0.96 0.57 119.66 125.98 1sdy s GLN 22 Ca -0.05 0.32 -0.03 0.00 0.05 0.00 0.00 55.36 55.65 1sdy s GLN 22 Cb -0.14 -0.87 -0.10 0.00 1.10 0.00 0.00 33.01 33.00 1sdy s GLN 22 CO -0.02 -0.67 1.30 0.00 -0.55 0.00 0.00 175.29 175.35 1sdy h ALA 23 N 8.25 0.37 -2.57 1.58 0.00 -1.83 -3.44 119.26 121.62 1sdy h ALA 23 Ca -0.18 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 53.92 1sdy h ALA 23 Cb 1.15 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.76 1sdy h ALA 23 CO 0.28 0.84 -0.25 -1.54 0.00 0.00 0.00 179.25 178.58 1sdy s SER 24 N -7.06 -0.09 0.23 0.00 1.04 -1.26 -5.03 113.70 101.53 1sdy s SER 24 Ca -0.05 -0.30 -0.15 0.00 0.48 0.00 0.00 55.95 55.92 1sdy s SER 24 Cb 0.09 0.37 0.27 0.00 0.10 0.00 0.00 66.02 66.85 1sdy s SER 24 CO 0.86 -0.67 1.57 -0.08 0.98 0.00 0.00 173.24 175.91 1sdy h GLU 25 N 3.01 -0.04 0.00 4.02 4.81 -1.93 -0.54 114.58 123.91 1sdy h GLU 25 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1sdy h GLU 25 Cb 1.21 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1sdy h GLU 25 CO 0.48 -0.03 0.00 -1.13 -0.73 0.00 0.00 179.01 177.60 1sdy n SER 25 N -5.50 0.46 -4.85 1.04 3.41 -1.26 -4.91 113.62 102.01 1sdy n SER 25 Ca 0.10 0.54 -0.31 0.00 -0.26 0.00 0.00 58.87 58.94 1sdy n SER 25 Cb 0.40 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1sdy n SER 25 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1sdy s GLU 25 N -3.06 3.61 0.55 4.33 2.02 -0.21 -5.06 118.70 120.89 1sdy s GLU 25 Ca 0.12 0.85 -0.15 0.00 0.02 0.00 0.00 54.97 55.81 1sdy s GLU 25 Cb 0.15 -2.08 -0.06 0.00 0.10 0.00 0.00 34.13 32.24 1sdy s GLU 25 CO 0.57 -0.55 1.01 -1.25 0.02 0.00 0.00 175.26 175.05 1sdy s PRO 26 N -4.79 3.74 0.13 0.39 0.05 -1.26 -4.84 135.00 128.43 1sdy s PRO 26 Ca 0.57 0.97 -0.14 0.00 0.05 0.00 0.00 61.00 62.45 1sdy s PRO 26 Cb -0.11 -2.10 -0.07 0.00 0.05 0.00 0.00 34.50 32.27 1sdy s PRO 26 CO 0.47 -0.45 0.53 0.99 0.05 0.00 0.00 177.00 178.59 1sdy s THR 27 N -2.69 4.88 -0.22 1.26 2.01 -0.03 -4.63 115.64 116.21 1sdy s THR 27 Ca 0.59 0.81 -0.07 0.00 0.31 0.00 0.00 61.69 63.33 1sdy s THR 27 Cb -0.11 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1sdy s THR 27 CO 0.37 0.27 0.06 -0.89 -0.69 0.00 0.00 174.62 173.73 1sdy s THR 28 N -1.44 4.38 -0.23 -0.82 2.01 0.19 -0.73 115.64 119.01 1sdy s THR 28 Ca 0.37 -0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.13 1sdy s THR 28 Cb -0.15 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1sdy s THR 28 CO 0.19 0.39 0.08 -0.69 -0.69 0.00 0.00 174.62 173.89 1sdy s VAL 29 N 1.16 4.57 -0.07 3.82 1.01 0.13 -0.51 120.40 130.51 1sdy s VAL 29 Ca 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1sdy s VAL 29 Cb -0.14 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1sdy s VAL 29 CO 0.03 0.37 -0.07 -0.94 0.00 0.00 0.00 175.10 174.49 1sdy s SER 30 N 1.20 1.53 0.11 3.32 1.04 0.92 -1.51 113.70 120.31 1sdy s SER 30 Ca 0.05 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.30 1sdy s SER 30 Cb -0.14 -0.65 -0.04 0.00 0.10 0.00 0.00 66.02 65.28 1sdy s SER 30 CO 0.04 -0.05 -0.09 -0.72 0.98 0.00 0.00 173.24 173.39 1sdy s TYR 31 N 1.09 1.07 -0.27 5.02 1.13 -1.08 0.21 117.35 124.52 1sdy s TYR 31 Ca -0.08 -0.72 -0.01 0.00 -1.41 0.00 0.00 57.07 54.86 1sdy s TYR 31 Cb -0.14 -0.58 0.15 0.00 -1.10 0.00 0.00 41.96 40.29 1sdy s TYR 31 CO -0.01 -0.01 0.43 -2.00 -2.51 0.00 0.00 175.55 171.46 1sdy s GLU 32 N -3.17 0.41 -0.04 -3.49 2.12 -0.96 -1.81 118.70 111.76 1sdy s GLU 32 Ca 0.09 0.49 0.02 0.00 0.36 0.00 0.00 54.97 55.93 1sdy s GLU 32 Cb -0.00 -0.23 0.01 0.00 0.26 0.00 0.00 34.13 34.16 1sdy s GLU 32 CO -0.01 -0.78 -0.11 0.42 -0.54 0.00 0.00 175.26 174.25 1sdy s ILE 33 N 2.61 0.95 0.33 -3.70 1.01 0.11 -1.41 121.20 121.10 1sdy s ILE 33 Ca 0.13 -0.42 0.10 0.00 0.00 0.00 0.00 60.65 60.46 1sdy s ILE 33 Cb -0.14 -0.86 -0.06 0.00 0.01 0.00 0.00 42.46 41.41 1sdy s ILE 33 CO -0.21 0.30 -0.10 0.00 0.00 0.00 0.00 174.94 174.93 1sdy s ALA 34 N 0.41 2.96 0.00 9.38 0.00 -0.29 -0.26 121.76 133.95 1sdy s ALA 34 Ca -0.08 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 49.85 1sdy s ALA 34 Cb -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1sdy s ALA 34 CO 0.02 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1sdy n GLY 35 N -0.78 0.73 4.00 0.00 0.00 -1.12 -1.22 105.19 106.79 1sdy n GLY 35 Ca -0.05 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 1sdy n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sdy s ASN 35 N -2.24 4.45 0.49 1.61 0.01 -0.81 -4.41 114.94 114.05 1sdy s ASN 35 Ca 0.00 -0.43 -0.23 0.00 -0.71 0.00 0.00 52.86 51.50 1sdy s ASN 35 Cb 0.00 0.02 -0.06 0.00 0.41 0.00 0.00 41.25 41.62 1sdy s ASN 35 CO 0.00 -1.79 1.26 -0.44 -1.51 0.00 0.00 177.10 174.62 1sdy s SER 36 N -4.73 5.80 0.31 -1.22 0.01 -1.26 -4.28 113.70 108.32 1sdy s SER 36 Ca 0.66 2.53 -0.25 0.00 1.31 0.00 0.00 55.95 60.19 1sdy s SER 36 Cb -0.05 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.46 1sdy s SER 36 CO 0.44 -1.19 0.91 -2.16 0.41 0.00 0.00 173.24 171.65 1sdy s PRO 37 N -2.75 4.55 -1.23 12.44 0.04 -1.26 -4.00 135.00 142.79 1sdy s PRO 37 Ca 0.66 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 62.93 1sdy s PRO 37 Cb -0.34 -2.83 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 1sdy s PRO 37 CO 0.41 0.30 0.76 0.09 0.04 0.00 0.00 177.00 178.60 1sdy n ASN 38 N 0.62 -2.80 -4.25 6.66 3.02 -0.26 -4.92 115.26 113.33 1sdy n ASN 38 Ca 0.01 -0.84 -0.18 0.00 -0.03 0.00 0.00 54.58 53.54 1sdy n ASN 38 Cb 0.50 -4.12 -0.10 0.00 -0.61 0.00 0.00 39.78 35.45 1sdy n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sdy s ALA 39 N -3.58 1.93 -0.20 5.41 0.00 -1.23 -4.95 121.76 119.13 1sdy s ALA 39 Ca 0.16 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1sdy s ALA 39 Cb -0.04 1.01 0.02 0.00 0.00 0.00 0.00 23.12 24.11 1sdy s ALA 39 CO 0.81 -0.44 -0.15 -1.21 0.00 0.00 0.00 175.76 174.77 1sdy s GLU 40 N -3.95 2.94 -0.05 0.00 2.02 -1.26 -1.28 118.70 117.12 1sdy s GLU 40 Ca 0.36 -0.88 0.06 0.00 0.02 0.00 0.00 54.97 54.53 1sdy s GLU 40 Cb 0.07 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 1sdy s GLU 40 CO 0.15 -0.28 -0.22 1.03 0.02 0.00 0.00 175.26 175.97 1sdy s ARG 41 N 1.30 2.43 0.27 1.61 1.81 -0.85 -3.65 118.95 121.88 1sdy s ARG 41 Ca 0.03 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 52.90 1sdy s ARG 41 Cb -0.14 -2.21 -0.10 0.00 -0.45 0.00 0.00 34.95 32.04 1sdy s ARG 41 CO -0.09 0.51 1.47 0.20 -0.68 0.00 0.00 175.30 176.70 1sdy s GLY 42 N -0.46 2.33 -0.22 -3.53 0.00 -0.34 -0.49 107.32 104.62 1sdy s GLY 42 Ca 0.05 1.39 -0.02 0.00 0.00 0.00 0.00 44.72 46.15 1sdy s GLY 42 CO 0.01 2.33 0.03 -0.12 0.00 0.00 0.00 173.10 175.35 1sdy s PHE 43 N -0.11 1.28 0.12 1.90 5.36 -0.12 0.32 117.98 126.73 1sdy s PHE 43 Ca 0.59 -1.09 -0.04 0.00 -0.96 0.00 0.00 56.93 55.43 1sdy s PHE 43 Cb -0.43 -1.19 -0.03 0.00 -0.34 0.00 0.00 43.02 41.03 1sdy s PHE 43 CO 0.46 -0.67 0.13 -1.01 -1.46 0.00 0.00 175.22 172.66 1sdy s HIS 44 N 1.77 0.57 -0.43 10.12 3.76 -0.61 -2.09 115.29 128.39 1sdy s HIS 44 Ca 0.00 -0.98 -0.16 0.00 -0.15 0.00 0.00 55.06 53.77 1sdy s HIS 44 Cb -0.17 -0.28 0.03 0.00 1.11 0.00 0.00 32.58 33.27 1sdy s HIS 44 CO -0.11 -0.56 0.38 0.42 -0.85 0.00 0.00 174.74 174.02 1sdy s ILE 45 N -3.98 5.18 0.45 0.60 1.01 0.51 0.33 121.20 125.31 1sdy s ILE 45 Ca 0.17 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 1sdy s ILE 45 Cb 0.06 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 1sdy s ILE 45 CO -0.02 -0.42 0.85 -1.00 0.00 0.00 0.00 174.94 174.35 1sdy s HIS 46 N 1.87 3.48 0.11 3.97 3.76 0.28 -1.43 115.29 127.33 1sdy s HIS 46 Ca 0.08 1.17 -0.21 0.00 -0.15 0.00 0.00 55.06 55.95 1sdy s HIS 46 Cb -0.19 -2.56 -0.08 0.00 1.11 0.00 0.00 32.58 30.86 1sdy s HIS 46 CO 0.11 -0.23 1.74 1.49 -0.85 0.00 0.00 174.74 176.99 1sdy h GLU 47 N 1.00 0.07 -5.62 1.40 4.81 0.20 -3.03 114.58 113.41 1sdy h GLU 47 Ca -0.47 -0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.10 1sdy h GLU 47 Cb 1.19 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.46 1sdy h GLU 47 CO 0.63 0.05 -0.51 -0.06 -0.73 0.00 0.00 179.01 178.39 1sdy s PHE 48 N -6.19 3.48 -0.30 0.92 0.08 0.03 -4.58 117.98 111.42 1sdy s PHE 48 Ca -0.13 0.42 -0.04 0.00 0.12 0.00 0.00 56.93 57.29 1sdy s PHE 48 Cb 0.08 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1sdy s PHE 48 CO 0.68 0.59 2.92 0.41 -0.10 0.00 0.00 175.22 179.72 1sdy n GLY 49 N 2.32 3.90 3.30 4.36 0.00 -1.03 -3.87 105.19 114.18 1sdy n GLY 49 Ca -0.19 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 1sdy n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sdy s ASP 50 N 0.84 4.21 -0.20 1.61 -1.08 -1.26 -4.94 116.67 115.85 1sdy s ASP 50 Ca 0.57 -0.40 0.14 0.00 -0.52 0.00 0.00 52.55 52.34 1sdy s ASP 50 Cb 0.34 -1.72 0.42 0.00 -1.46 0.00 0.00 42.92 40.51 1sdy s ASP 50 CO -0.14 -0.01 1.30 0.00 0.52 0.00 0.00 175.17 176.85 1sdy n ALA 51 N 4.72 3.23 -0.25 3.66 0.00 -1.26 -3.20 120.51 127.41 1sdy n ALA 51 Ca -0.18 -2.83 0.02 0.00 0.00 0.00 0.00 53.44 50.45 1sdy n ALA 51 Cb 0.51 -0.54 0.11 0.00 0.00 0.00 0.00 19.45 19.53 1sdy n ALA 51 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1sdy h THR 52 N 0.86 0.30 -0.37 0.00 2.02 -1.93 -0.76 112.91 113.03 1sdy h THR 52 Ca 0.05 -0.01 -0.21 0.00 0.77 0.00 0.00 66.41 67.01 1sdy h THR 52 Cb 1.26 0.26 -0.13 0.00 -1.74 0.00 0.00 68.15 67.81 1sdy h THR 52 CO 0.14 0.01 -0.13 0.59 0.37 0.00 0.00 175.52 176.50 1sdy n ASN 53 N -5.43 2.68 0.00 4.18 4.13 -1.26 -5.06 115.26 114.49 1sdy n ASN 53 Ca 0.11 -3.81 0.00 0.00 1.68 0.00 0.00 54.58 52.56 1sdy n ASN 53 Cb 0.41 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 1sdy n ASN 53 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sdy n GLY 54 N -1.10 -1.80 0.34 7.41 0.00 -0.29 -4.45 105.19 105.29 1sdy n GLY 54 Ca 0.34 -1.77 0.17 0.00 0.00 0.00 0.00 46.02 44.76 1sdy n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdy h VAL 56 N 0.00 0.53 0.00 0.00 2.07 -1.89 -2.92 116.25 114.04 1sdy h VAL 56 Ca 0.08 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1sdy h VAL 56 Cb 0.47 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1sdy h VAL 56 CO -0.00 0.13 0.00 -1.20 0.02 0.00 0.00 177.57 176.52 1sdy n SER 57 N -3.56 0.00 0.00 0.57 7.64 -0.34 -4.14 113.62 113.79 1sdy n SER 57 Ca -0.01 0.33 0.14 0.00 1.01 0.00 0.00 58.87 60.33 1sdy n SER 57 Cb 0.27 -0.43 0.77 0.00 -1.01 0.00 0.00 64.21 63.81 1sdy n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sdy n ALA 58 N -1.43 2.47 -0.33 -0.43 0.00 -1.10 -4.52 120.51 115.18 1sdy n ALA 58 Ca 0.07 -0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1sdy n ALA 58 Cb 0.23 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.22 1sdy n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdy n GLY 59 N 0.97 -1.79 2.66 0.00 0.00 -1.26 -0.79 105.19 104.99 1sdy n GLY 59 Ca 0.17 -1.31 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 1sdy n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sdy n PRO 60 N -0.77 -0.62 -2.18 1.61 -0.04 -1.26 -4.60 135.00 127.13 1sdy n PRO 60 Ca 0.00 -1.54 -0.37 0.00 -0.04 0.00 0.00 63.50 61.55 1sdy n PRO 60 Cb 0.02 -0.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1sdy n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sdy s HIS 61 N -2.75 2.71 -0.13 0.54 3.76 -1.26 0.57 115.29 118.72 1sdy s HIS 61 Ca 0.50 1.52 -0.29 0.00 -0.15 0.00 0.00 55.06 56.64 1sdy s HIS 61 Cb -0.02 -3.42 -0.05 0.00 1.11 0.00 0.00 32.58 30.21 1sdy s HIS 61 CO 0.35 -1.76 1.80 0.12 -0.85 0.00 0.00 174.74 174.40 1sdy s PHE 62 N -1.58 1.75 -0.40 1.40 5.36 -0.52 -4.44 117.98 119.55 1sdy s PHE 62 Ca 0.68 0.26 0.09 0.00 -0.96 0.00 0.00 56.93 57.00 1sdy s PHE 62 Cb -0.29 -4.02 0.29 0.00 -0.34 0.00 0.00 43.02 38.67 1sdy s PHE 62 CO 0.34 -3.87 0.70 -1.71 -1.46 0.00 0.00 175.22 169.22 1sdy n ASN 63 N 8.53 -0.17 -0.31 6.13 4.05 -1.26 -2.17 115.26 130.06 1sdy n ASN 63 Ca 0.21 -2.98 0.11 0.00 0.45 0.00 0.00 54.58 52.36 1sdy n ASN 63 Cb 0.44 -0.10 0.33 0.00 1.23 0.00 0.00 39.78 41.68 1sdy n ASN 63 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1sdy h PRO 64 N 3.52 0.77 -0.57 1.20 0.13 -1.98 -2.37 132.00 132.69 1sdy h PRO 64 Ca 0.04 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1sdy h PRO 64 Cb 0.95 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1sdy h PRO 64 CO 0.43 0.51 0.00 1.19 -0.23 0.00 0.00 178.00 179.90 1sdy n PHE 65 N -4.60 0.86 -3.71 1.56 3.72 -1.26 -4.95 117.46 109.07 1sdy n PHE 65 Ca 0.19 -0.35 -0.22 0.00 -0.05 0.00 0.00 57.45 57.01 1sdy n PHE 65 Cb 0.45 -0.14 0.04 0.00 -0.94 0.00 0.00 39.48 38.88 1sdy n PHE 65 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1sdy n LYS 66 N 0.62 -5.20 -1.42 -1.08 5.02 -0.89 -4.96 118.16 110.24 1sdy n LYS 66 Ca 0.15 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 1sdy n LYS 66 Cb 0.55 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 1sdy n LYS 66 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sdy n LYS 67 N -4.34 1.77 -3.74 1.97 4.01 -1.26 -5.13 118.16 111.44 1sdy n LYS 67 Ca -0.24 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.30 1sdy n LYS 67 Cb 0.65 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 35.15 1sdy n LYS 67 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1sdy s THR 68 N 0.01 5.22 0.27 -0.18 2.01 -1.26 -4.76 115.64 116.94 1sdy s THR 68 Ca 0.00 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1sdy s THR 68 Cb 0.00 -3.76 -0.10 0.00 0.01 0.00 0.00 72.50 68.65 1sdy s THR 68 CO 0.00 -0.22 1.37 -2.28 -0.69 0.00 0.00 174.62 172.80 1sdy s HIS 69 N -1.91 3.07 0.00 4.92 2.46 -0.45 -2.73 115.29 120.66 1sdy s HIS 69 Ca 0.37 1.20 0.00 0.00 0.47 0.00 0.00 55.06 57.10 1sdy s HIS 69 Cb -0.11 -3.73 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 1sdy s HIS 69 CO 0.30 -2.23 0.00 0.41 -2.47 0.00 0.00 174.74 170.75 1sdy n GLY 70 N 1.73 3.82 3.91 1.59 0.00 -1.26 -4.36 105.19 110.63 1sdy n GLY 70 Ca 0.04 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 1sdy n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdy s ALA 71 N -1.37 3.66 0.37 4.61 0.00 -1.25 -4.74 121.76 123.04 1sdy s ALA 71 Ca 0.00 -0.66 0.11 0.00 0.00 0.00 0.00 51.96 51.42 1sdy s ALA 71 Cb 0.00 -2.23 0.90 0.00 0.00 0.00 0.00 23.12 21.79 1sdy s ALA 71 CO 0.00 0.21 1.86 -1.35 0.00 0.00 0.00 175.76 176.48 1sdy h PRO 72 N 1.53 0.58 0.00 0.00 0.11 -1.90 0.33 132.00 132.66 1sdy h PRO 72 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1sdy h PRO 72 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1sdy h PRO 72 CO 0.65 0.39 0.00 1.79 -0.21 0.00 0.00 178.00 180.62 1sdy h THR 73 N 0.60 0.00 -4.25 -1.15 1.35 -1.92 -3.46 112.91 104.08 1sdy h THR 73 Ca 0.47 -0.76 -0.51 0.00 -0.55 0.00 0.00 66.41 65.06 1sdy h THR 73 Cb 0.88 1.74 0.11 0.00 -1.73 0.00 0.00 68.15 69.15 1sdy h THR 73 CO -0.21 0.00 0.36 -1.81 -0.25 0.00 0.00 175.52 173.60 1sdy s ASP 74 N -5.64 5.02 0.24 5.36 1.01 0.10 -4.96 116.67 117.80 1sdy s ASP 74 Ca 0.07 1.89 0.17 0.00 0.71 0.00 0.00 52.55 55.38 1sdy s ASP 74 Cb 0.07 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.51 1sdy s ASP 74 CO 0.62 -1.69 1.27 -0.33 0.21 0.00 0.00 175.17 175.25 1sdy h GLU 75 N -0.36 0.00 -4.24 8.23 5.08 -1.89 -3.39 114.58 118.00 1sdy h GLU 75 Ca -0.45 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.19 1sdy h GLU 75 Cb 1.23 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.17 1sdy h GLU 75 CO 0.54 0.35 -0.41 0.08 -1.00 0.00 0.00 179.01 178.57 1sdy s VAL 76 N -3.02 3.96 0.22 3.13 1.01 -1.26 -5.03 120.40 119.41 1sdy s VAL 76 Ca 0.02 -2.03 -0.16 0.00 0.00 0.00 0.00 61.98 59.82 1sdy s VAL 76 Cb 0.08 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1sdy s VAL 76 CO 0.76 -0.78 0.51 0.00 0.00 0.00 0.00 175.10 175.59 1sdy s ARG 77 N 1.08 1.45 0.33 2.72 1.70 -1.19 -4.05 118.95 120.99 1sdy s ARG 77 Ca 0.08 -1.02 -0.26 0.00 -0.47 0.00 0.00 55.73 54.07 1sdy s ARG 77 Cb -0.24 0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 34.54 1sdy s ARG 77 CO -0.02 -0.61 0.95 -1.01 -1.08 0.00 0.00 175.30 173.52 1sdy s HIS 78 N -3.93 3.66 0.51 5.89 3.76 -1.10 -4.64 115.29 119.43 1sdy s HIS 78 Ca 0.14 1.77 0.24 0.00 -0.15 0.00 0.00 55.06 57.06 1sdy s HIS 78 Cb -0.01 -2.92 1.33 0.00 1.11 0.00 0.00 32.58 32.09 1sdy s HIS 78 CO 0.02 0.18 1.96 0.28 -0.85 0.00 0.00 174.74 176.33 1sdy h VAL 79 N 2.55 0.71 -0.12 -0.90 2.07 -1.89 -0.12 116.25 118.54 1sdy h VAL 79 Ca -0.47 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1sdy h VAL 79 Cb 1.19 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1sdy h VAL 79 CO 0.65 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.86 1sdy n GLY 80 N -1.63 -0.23 3.55 2.17 0.00 -0.92 -4.53 105.19 103.59 1sdy n GLY 80 Ca 0.12 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1sdy n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sdy s ASP 81 N -1.40 5.86 -0.04 1.61 1.01 -0.06 -0.36 116.67 123.28 1sdy s ASP 81 Ca 0.25 -0.40 0.19 0.00 0.71 0.00 0.00 52.55 53.30 1sdy s ASP 81 Cb 0.13 -2.55 0.59 0.00 1.01 0.00 0.00 42.92 42.10 1sdy s ASP 81 CO 0.20 -2.03 1.50 0.23 0.21 0.00 0.00 175.17 175.27 1sdy n MET 82 N 9.20 3.03 0.00 8.23 2.81 -0.89 -4.00 117.12 135.50 1sdy n MET 82 Ca 0.16 -2.61 0.00 0.00 -1.81 0.00 0.00 57.70 53.45 1sdy n MET 82 Cb 0.50 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1sdy n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sdy n GLY 83 N 1.21 0.14 3.62 3.03 0.00 -1.23 -4.76 105.19 107.19 1sdy n GLY 83 Ca 0.22 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 1sdy n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sdy s ASN 84 N -4.00 4.63 0.01 1.61 0.01 -1.26 -0.94 114.94 114.99 1sdy s ASN 84 Ca 0.00 -0.29 0.03 0.00 -0.71 0.00 0.00 52.86 51.89 1sdy s ASN 84 Cb 0.00 -0.98 -0.03 0.00 0.41 0.00 0.00 41.25 40.64 1sdy s ASN 84 CO 0.00 0.19 -0.06 0.54 -1.51 0.00 0.00 177.10 176.26 1sdy s VAL 85 N -1.22 3.69 -0.15 1.60 0.11 0.36 -4.90 120.40 119.89 1sdy s VAL 85 Ca 0.22 -0.78 -0.06 0.00 -2.93 0.00 0.00 61.98 58.44 1sdy s VAL 85 Cb -0.11 -2.61 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 1sdy s VAL 85 CO 0.14 0.38 0.05 -0.54 -3.33 0.00 0.00 175.10 171.80 1sdy s LYS 86 N -1.47 3.69 0.17 1.54 1.02 -1.26 -2.00 119.74 121.42 1sdy s LYS 86 Ca 0.18 -0.35 -0.02 0.00 0.02 0.00 0.00 55.97 55.80 1sdy s LYS 86 Cb -0.11 -3.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.06 1sdy s LYS 86 CO 0.08 0.41 0.36 0.95 -0.92 0.00 0.00 175.35 176.24 1sdy s THR 87 N -0.04 5.22 0.39 2.17 -4.23 -0.41 -4.42 115.64 114.31 1sdy s THR 87 Ca 0.06 -0.25 -0.01 0.00 -1.18 0.00 0.00 61.69 60.30 1sdy s THR 87 Cb -0.12 -3.69 0.08 0.00 1.34 0.00 0.00 72.50 70.11 1sdy s THR 87 CO 0.01 -0.07 0.53 -0.90 -0.54 0.00 0.00 174.62 173.65 1sdy n ASP 88 N -0.33 0.59 0.33 3.99 5.68 0.66 -2.94 116.55 124.52 1sdy n ASP 88 Ca -0.04 -1.52 0.22 0.00 -0.50 0.00 0.00 54.79 52.95 1sdy n ASP 88 Cb 0.53 -0.36 1.17 0.00 -1.14 0.00 0.00 41.12 41.33 1sdy n ASP 88 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1sdy h GLU 89 N 0.00 0.00 -0.39 0.11 4.11 -1.92 0.44 114.58 116.92 1sdy h GLU 89 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.26 1sdy h GLU 89 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1sdy h GLU 89 CO 0.18 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.35 1sdy n ASN 90 N -3.04 3.33 -0.33 3.06 3.02 -1.26 -4.80 115.26 115.24 1sdy n ASN 90 Ca -0.03 -2.20 -0.04 0.00 -0.03 0.00 0.00 54.58 52.28 1sdy n ASN 90 Cb 0.10 -0.33 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 1sdy n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sdy n GLY 91 N 0.50 0.71 3.60 7.41 0.00 0.14 -4.67 105.19 112.88 1sdy n GLY 91 Ca 0.16 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1sdy n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sdy s VAL 92 N -2.13 4.76 -0.19 1.61 1.01 -1.26 -1.93 120.40 122.26 1sdy s VAL 92 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1sdy s VAL 92 Cb 0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1sdy s VAL 92 CO 0.00 0.42 -0.06 0.00 0.00 0.00 0.00 175.10 175.46 1sdy s ALA 93 N 0.74 2.82 -0.02 5.51 0.00 0.64 -0.25 121.76 131.20 1sdy s ALA 93 Ca 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1sdy s ALA 93 Cb -0.13 -1.60 0.03 0.00 0.00 0.00 0.00 23.12 21.42 1sdy s ALA 93 CO 0.02 -0.20 0.03 0.21 0.00 0.00 0.00 175.76 175.82 1sdy s LYS 94 N 1.09 -0.04 0.00 0.00 2.20 -1.26 -0.71 119.74 121.02 1sdy s LYS 94 Ca 0.01 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1sdy s LYS 94 Cb -0.15 -0.23 0.00 0.00 -1.51 0.00 0.00 37.83 35.94 1sdy s LYS 94 CO -0.00 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 1sdy n GLY 95 N 4.11 0.69 3.49 5.54 0.00 -0.75 -5.00 105.19 113.27 1sdy n GLY 95 Ca -0.27 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 1sdy n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sdy s SER 96 N -0.16 -0.55 0.07 1.61 0.15 -1.26 -2.64 113.70 110.92 1sdy s SER 96 Ca 0.00 0.35 -0.27 0.00 0.70 0.00 0.00 55.95 56.73 1sdy s SER 96 Cb 0.00 0.51 0.09 0.00 -1.71 0.00 0.00 66.02 64.90 1sdy s SER 96 CO 0.00 -0.69 0.99 0.72 1.20 0.00 0.00 173.24 175.46 1sdy s PHE 97 N -2.25 -0.19 0.02 3.44 -0.71 -0.57 -4.99 117.98 112.74 1sdy s PHE 97 Ca -0.04 -0.03 0.03 0.00 -1.04 0.00 0.00 56.93 55.86 1sdy s PHE 97 Cb -0.01 0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 42.36 1sdy s PHE 97 CO -0.01 -0.64 -0.04 0.15 -1.34 0.00 0.00 175.22 173.33 1sdy s LYS 98 N -3.09 2.57 -0.01 1.99 1.02 -1.26 -0.70 119.74 120.26 1sdy s LYS 98 Ca 0.10 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 1sdy s LYS 98 Cb -0.00 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1sdy s LYS 98 CO -0.02 0.59 0.06 0.34 -0.92 0.00 0.00 175.35 175.40 1sdy s ASP 99 N -1.65 0.01 0.05 2.83 -1.08 0.09 -4.96 116.67 111.96 1sdy s ASP 99 Ca 0.19 -0.04 0.22 0.00 -0.52 0.00 0.00 52.55 52.40 1sdy s ASP 99 Cb -0.11 0.15 -0.13 0.00 -1.46 0.00 0.00 42.92 41.37 1sdy s ASP 99 CO 0.10 -0.14 0.81 -1.20 0.52 0.00 0.00 175.17 175.26 1sdy n SER 100 N 2.46 0.46 -0.02 -0.34 7.64 -1.26 -0.85 113.62 121.71 1sdy n SER 100 Ca -0.16 -0.05 -0.21 0.00 1.01 0.00 0.00 58.87 59.45 1sdy n SER 100 Cb 0.58 1.19 -0.13 0.00 -1.01 0.00 0.00 64.21 64.83 1sdy n SER 100 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sdy n LEU 101 N -2.22 2.64 -4.71 -3.43 4.32 -1.26 -4.89 117.00 107.45 1sdy n LEU 101 Ca -0.01 0.17 -0.42 0.00 -0.02 0.00 0.00 56.01 55.73 1sdy n LEU 101 Cb 0.51 -1.08 -0.03 0.00 -1.62 0.00 0.00 43.42 41.20 1sdy n LEU 101 CO 0.43 0.83 0.90 -0.63 -1.22 0.00 0.00 177.39 177.70 1sdy s ILE 102 N -2.54 4.04 0.06 -0.08 1.01 -1.26 -5.00 121.20 117.43 1sdy s ILE 102 Ca -0.25 1.46 0.02 0.00 0.00 0.00 0.00 60.65 61.88 1sdy s ILE 102 Cb 0.07 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1sdy s ILE 102 CO 0.73 0.10 -0.08 -0.54 0.00 0.00 0.00 174.94 175.15 1sdy s LYS 103 N 1.22 0.65 -0.05 2.79 1.02 -1.26 -4.13 119.74 119.98 1sdy s LYS 103 Ca 0.59 -0.97 0.19 0.00 0.02 0.00 0.00 55.97 55.80 1sdy s LYS 103 Cb -0.29 -0.30 -0.29 0.00 -0.52 0.00 0.00 37.83 36.43 1sdy s LYS 103 CO 0.28 0.03 0.37 1.28 -0.92 0.00 0.00 175.35 176.39 1sdy n LEU 104 N 0.93 0.00 -4.37 3.17 4.77 -1.26 -0.19 117.00 120.05 1sdy n LEU 104 Ca -0.19 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.47 1sdy n LEU 104 Cb 0.57 0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 41.59 1sdy n LEU 104 CO 0.24 0.08 -0.48 -0.63 -1.33 0.00 0.00 177.39 175.26 1sdy s ILE 105 N -3.20 2.77 0.00 -0.08 1.01 -1.26 -4.73 121.20 115.71 1sdy s ILE 105 Ca -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1sdy s ILE 105 Cb 0.11 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1sdy s ILE 105 CO 0.80 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.90 1sdy n GLY 106 N 3.05 -3.38 0.47 6.18 0.00 -1.26 -4.41 105.19 105.85 1sdy n GLY 106 Ca -0.18 -1.91 0.29 0.00 0.00 0.00 0.00 46.02 44.22 1sdy n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sdy h PRO 107 N 0.00 0.00 -0.58 1.61 0.13 -2.00 0.09 132.00 131.25 1sdy h PRO 107 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1sdy h PRO 107 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1sdy h PRO 107 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1sdy n THR 108 N -4.10 1.88 -1.47 1.56 -2.24 -1.26 -5.00 114.28 103.64 1sdy n THR 108 Ca 0.19 -1.27 -0.41 0.00 -2.27 0.00 0.00 64.05 60.29 1sdy n THR 108 Cb 1.00 0.09 0.01 0.00 -2.10 0.00 0.00 70.33 69.34 1sdy n THR 108 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1sdy n SER 109 N 0.88 -0.63 -0.93 3.42 2.88 0.02 -4.55 113.62 114.70 1sdy n SER 109 Ca 0.24 0.91 0.12 0.00 -1.33 0.00 0.00 58.87 58.81 1sdy n SER 109 Cb 0.88 -1.15 0.10 0.00 -0.75 0.00 0.00 64.21 63.29 1sdy n SER 109 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1sdy n VAL 110 N -0.89 0.00 -1.79 2.46 0.24 0.73 -4.94 118.33 114.14 1sdy n VAL 110 Ca 0.11 -0.49 -0.41 0.00 -2.04 0.00 0.00 64.34 61.51 1sdy n VAL 110 Cb 0.40 1.47 -0.01 0.00 -1.47 0.00 0.00 33.84 34.23 1sdy n VAL 110 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1sdy s VAL 111 N -2.02 2.07 0.00 3.34 1.01 -1.26 -0.85 120.40 122.68 1sdy s VAL 111 Ca 0.28 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1sdy s VAL 111 Cb 0.20 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1sdy s VAL 111 CO 0.31 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1sdy n GLY 112 N 1.54 0.79 2.50 4.51 0.00 -0.35 -4.99 105.19 109.19 1sdy n GLY 112 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1sdy n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sdy n ARG 113 N -2.16 0.88 -4.84 1.61 1.74 -0.03 -2.46 116.66 111.39 1sdy n ARG 113 Ca 0.00 -2.16 -0.29 0.00 -0.77 0.00 0.00 57.85 54.63 1sdy n ARG 113 Cb 0.00 0.09 -0.15 0.00 -1.02 0.00 0.00 32.46 31.38 1sdy n ARG 113 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1sdy s SER 114 N -3.19 3.05 -0.13 0.55 0.01 -1.15 0.85 113.70 113.69 1sdy s SER 114 Ca 0.28 -0.59 -0.13 0.00 1.31 0.00 0.00 55.95 56.82 1sdy s SER 114 Cb -0.02 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 1sdy s SER 114 CO 0.18 0.24 0.28 -0.69 0.41 0.00 0.00 173.24 173.66 1sdy s VAL 115 N -0.82 5.29 -0.03 3.43 1.01 -0.50 0.10 120.40 128.89 1sdy s VAL 115 Ca 0.11 0.53 0.07 0.00 0.00 0.00 0.00 61.98 62.69 1sdy s VAL 115 Cb -0.10 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1sdy s VAL 115 CO 0.02 0.46 -0.25 0.54 0.00 0.00 0.00 175.10 175.87 1sdy s VAL 116 N -0.03 1.99 -0.22 2.92 0.11 0.15 -1.90 120.40 123.42 1sdy s VAL 116 Ca 0.17 -1.06 -0.06 0.00 -2.93 0.00 0.00 61.98 58.10 1sdy s VAL 116 Cb -0.13 -1.66 -0.03 0.00 -1.53 0.00 0.00 36.38 33.03 1sdy s VAL 116 CO 0.05 0.56 0.03 -0.51 -3.33 0.00 0.00 175.10 171.90 1sdy s ILE 117 N -0.47 4.16 0.62 7.04 1.10 -0.81 -1.57 121.20 131.27 1sdy s ILE 117 Ca 0.06 -0.24 -0.05 0.00 -0.51 0.00 0.00 60.65 59.91 1sdy s ILE 117 Cb -0.11 -2.91 0.03 0.00 0.15 0.00 0.00 42.46 39.62 1sdy s ILE 117 CO 0.00 0.40 0.91 -1.00 -2.11 0.00 0.00 174.94 173.15 1sdy s HIS 118 N 1.15 3.11 -0.26 3.50 3.76 0.15 -3.38 115.29 123.32 1sdy s HIS 118 Ca 0.03 0.50 0.18 0.00 -0.15 0.00 0.00 55.06 55.62 1sdy s HIS 118 Cb -0.14 -2.86 0.16 0.00 1.11 0.00 0.00 32.58 30.85 1sdy s HIS 118 CO 0.02 -0.99 1.50 0.00 -0.85 0.00 0.00 174.74 174.42 1sdy h ALA 119 N -0.26 0.79 -4.53 -1.40 0.00 -0.47 -3.41 119.26 109.98 1sdy h ALA 119 Ca -0.45 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 53.90 1sdy h ALA 119 Cb 1.28 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1sdy h ALA 119 CO 0.60 0.40 -0.18 0.41 0.00 0.00 0.00 179.25 180.47 1sdy n GLY 120 N 1.18 3.69 3.87 0.00 0.00 0.15 -4.96 105.19 109.12 1sdy n GLY 120 Ca 0.03 -2.27 -0.37 0.00 0.00 0.00 0.00 46.02 43.41 1sdy n GLY 120 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sdy s GLN 121 N -2.82 3.47 -0.09 1.61 0.74 -1.24 -1.19 119.66 120.13 1sdy s GLN 121 Ca 0.03 -0.14 -0.30 0.00 0.05 0.00 0.00 55.36 55.00 1sdy s GLN 121 Cb -0.00 -3.19 -0.02 0.00 1.10 0.00 0.00 33.01 30.89 1sdy s GLN 121 CO 0.02 0.75 1.17 0.34 -0.55 0.00 0.00 175.29 177.02 1sdy s ASP 122 N -0.96 7.07 -0.11 6.67 -1.08 -1.26 -3.88 116.67 123.12 1sdy s ASP 122 Ca 0.15 1.72 0.14 0.00 -0.52 0.00 0.00 52.55 54.04 1sdy s ASP 122 Cb -0.12 -2.55 0.60 0.00 -1.46 0.00 0.00 42.92 39.39 1sdy s ASP 122 CO 0.04 -0.60 1.47 -0.90 0.52 0.00 0.00 175.17 175.70 1sdy n ASP 123 N 5.49 4.07 -1.55 -0.34 5.68 -0.90 -4.87 116.55 124.14 1sdy n ASP 123 Ca 0.11 -2.42 -0.05 0.00 -0.50 0.00 0.00 54.79 51.93 1sdy n ASP 123 Cb 0.46 -0.54 -0.02 0.00 -1.14 0.00 0.00 41.12 39.89 1sdy n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sdy n LEU 124 N 0.82 -0.41 0.00 -2.12 4.77 -1.26 -0.46 117.00 118.34 1sdy n LEU 124 Ca 0.21 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1sdy n LEU 124 Cb 0.78 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1sdy n LEU 124 CO 0.21 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1sdy n GLY 125 N -0.25 0.50 1.49 -0.72 0.00 -1.25 -3.81 105.19 101.14 1sdy n GLY 125 Ca -0.05 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1sdy n GLY 125 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1sdy n LYS 126 N -2.89 2.66 -1.77 1.61 2.85 0.39 -4.75 118.16 116.26 1sdy n LYS 126 Ca 0.00 -3.69 -0.14 0.00 -1.05 0.00 0.00 58.31 53.43 1sdy n LYS 126 Cb 0.00 -2.01 0.07 0.00 -0.65 0.00 0.00 35.03 32.44 1sdy n LYS 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1sdy n GLY 127 N -0.91 0.65 0.45 2.58 0.00 -1.26 -4.99 105.19 101.71 1sdy n GLY 127 Ca 0.36 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 44.46 1sdy n GLY 127 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sdy n ASP 128 N -2.96 2.95 -4.71 1.61 5.68 -1.26 -4.97 116.55 112.89 1sdy n ASP 128 Ca 0.10 -2.74 -0.26 0.00 -0.50 0.00 0.00 54.79 51.39 1sdy n ASP 128 Cb 0.35 -0.38 -0.07 0.00 -1.14 0.00 0.00 41.12 39.88 1sdy n ASP 128 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1sdy s THR 129 N -2.30 3.93 0.15 2.12 -4.23 -1.26 -5.02 115.64 109.04 1sdy s THR 129 Ca 0.30 -1.39 0.27 0.00 -1.18 0.00 0.00 61.69 59.69 1sdy s THR 129 Cb 0.24 -3.01 0.28 0.00 1.34 0.00 0.00 72.50 71.35 1sdy s THR 129 CO 0.07 -0.16 1.89 1.05 -0.54 0.00 0.00 174.62 176.93 1sdy h GLU 130 N 2.46 0.00 0.00 3.99 4.11 -2.03 -2.47 114.58 120.64 1sdy h GLU 130 Ca -0.47 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.90 1sdy h GLU 130 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1sdy h GLU 130 CO 0.60 0.15 -0.29 1.49 0.07 0.00 0.00 179.01 181.03 1sdy h GLU 131 N 0.00 0.00 -0.88 1.06 4.81 -1.99 -2.80 114.58 114.78 1sdy h GLU 131 Ca -0.00 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.44 1sdy h GLU 131 Cb 0.64 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 1sdy h GLU 131 CO 0.02 0.29 0.59 1.03 -0.73 0.00 0.00 179.01 180.21 1sdy h SER 132 N 0.00 0.34 0.34 1.04 0.87 -1.79 0.28 113.55 114.63 1sdy h SER 132 Ca -0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1sdy h SER 132 Cb 0.86 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1sdy h SER 132 CO 0.04 0.14 -0.12 0.18 -0.53 0.00 0.00 176.83 176.53 1sdy n LEU 133 N -4.48 0.54 -0.08 2.23 4.77 -1.05 -1.71 117.00 117.22 1sdy n LEU 133 Ca 0.19 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1sdy n LEU 133 Cb 0.72 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1sdy n LEU 133 CO 0.32 0.10 -0.76 0.29 -1.33 0.00 0.00 177.39 176.01 1sdy n LYS 134 N -0.90 0.47 0.00 3.23 5.02 0.75 -1.34 118.16 125.40 1sdy n LYS 134 Ca 0.14 0.19 0.01 0.00 -2.02 0.00 0.00 58.31 56.63 1sdy n LYS 134 Cb 0.28 -1.32 -0.01 0.00 -0.02 0.00 0.00 35.03 33.96 1sdy n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sdy n THR 135 N -4.28 0.00 -1.29 -0.18 -2.24 0.09 -4.58 114.28 101.80 1sdy n THR 135 Ca -0.20 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 1sdy n THR 135 Cb 0.54 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.73 1sdy n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sdy n GLY 136 N 0.92 1.12 2.41 3.38 0.00 -0.69 -3.06 105.19 109.27 1sdy n GLY 136 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 1sdy n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sdy n ASN 137 N -0.06 -3.65 0.00 1.61 3.02 -1.26 -2.12 115.26 112.79 1sdy n ASN 137 Ca -0.10 0.22 0.07 0.00 -0.03 0.00 0.00 54.58 54.75 1sdy n ASN 137 Cb 0.38 -3.14 0.40 0.00 -0.61 0.00 0.00 39.78 36.82 1sdy n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sdy n ALA 138 N -2.08 1.93 -0.18 5.41 0.00 -1.17 -4.58 120.51 119.83 1sdy n ALA 138 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1sdy n ALA 138 Cb 0.59 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1sdy n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdy n GLY 139 N -0.05 -0.97 3.34 0.00 0.00 -1.26 0.33 105.19 106.58 1sdy n GLY 139 Ca 0.09 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 1sdy n GLY 139 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sdy n PRO 140 N 0.00 -4.10 -3.80 1.61 -0.04 -1.26 -4.59 135.00 122.82 1sdy n PRO 140 Ca 0.00 -1.60 -0.29 0.00 -0.04 0.00 0.00 63.50 61.56 1sdy n PRO 140 Cb 0.00 -1.78 -0.11 0.00 -0.04 0.00 0.00 33.50 31.57 1sdy n PRO 140 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sdy n ARG 141 N -5.38 2.08 -0.17 0.54 1.74 -1.26 0.03 116.66 114.23 1sdy n ARG 141 Ca 0.14 -4.51 0.04 0.00 -0.77 0.00 0.00 57.85 52.75 1sdy n ARG 141 Cb 0.60 -2.31 0.32 0.00 -1.02 0.00 0.00 32.46 30.05 1sdy n ARG 141 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1sdy h PRO 142 N 5.36 0.80 -3.32 5.56 0.13 -1.85 -3.44 132.00 135.24 1sdy h PRO 142 Ca 0.16 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 65.12 1sdy h PRO 142 Cb 0.75 -0.18 -0.19 0.00 0.13 0.00 0.00 31.00 31.51 1sdy h PRO 142 CO 0.76 0.53 -0.34 0.00 -0.23 0.00 0.00 178.00 178.72 1sdy s ALA 143 N -5.71 -0.56 0.24 -0.56 0.00 -1.24 -3.59 121.76 110.34 1sdy s ALA 143 Ca -0.10 0.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.69 1sdy s ALA 143 Cb 0.18 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1sdy s ALA 143 CO 0.77 -0.31 0.59 0.00 0.00 0.00 0.00 175.76 176.80 1sdy s GLY 145 N -2.93 -0.48 0.31 0.00 0.00 -0.80 -0.99 107.32 102.43 1sdy s GLY 145 Ca 0.14 1.80 -0.28 0.00 0.00 0.00 0.00 44.72 46.38 1sdy s GLY 145 CO 0.04 1.34 1.11 0.14 0.00 0.00 0.00 173.10 175.74 1sdy s VAL 146 N -0.48 3.43 -0.34 1.40 1.01 -1.26 -1.42 120.40 122.74 1sdy s VAL 146 Ca -0.05 1.36 -0.25 0.00 0.00 0.00 0.00 61.98 63.04 1sdy s VAL 146 Cb -0.02 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1sdy s VAL 146 CO 0.04 0.26 0.89 -0.63 0.00 0.00 0.00 175.10 175.66 1sdy s ILE 147 N -1.26 4.66 0.22 2.22 1.01 0.25 -4.23 121.20 124.06 1sdy s ILE 147 Ca 0.48 1.23 0.09 0.00 0.00 0.00 0.00 60.65 62.46 1sdy s ILE 147 Cb -0.31 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 1sdy s ILE 147 CO 0.40 -0.43 -0.08 -0.83 0.00 0.00 0.00 174.94 174.00 1sdy s GLY 148 N 1.76 1.72 0.18 6.18 0.00 0.14 -1.21 107.32 116.08 1sdy s GLY 148 Ca 0.37 -1.57 -0.30 0.00 0.00 0.00 0.00 44.72 43.21 1sdy s GLY 148 CO 0.16 -1.62 1.10 1.08 0.00 0.00 0.00 173.10 173.82 1sdy s LEU 149 N -3.16 4.49 0.41 0.66 1.02 -1.26 0.81 118.68 121.64 1sdy s LEU 149 Ca 0.27 2.09 0.04 0.00 0.02 0.00 0.00 54.13 56.55 1sdy s LEU 149 Cb -0.08 -3.60 -0.03 0.00 0.02 0.00 0.00 46.19 42.50 1sdy s LEU 149 CO 0.17 -0.22 0.12 0.28 0.02 0.00 0.00 176.35 176.71 1sdy s THR 150 N -0.23 0.68 -1.01 5.49 -1.32 -0.15 -4.85 115.64 114.25 1sdy s THR 150 Ca 0.49 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 1sdy s THR 150 Cb -0.29 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 1sdy s THR 150 CO 0.35 0.00 0.25 -0.46 -2.21 0.00 0.00 174.62 172.55