#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 0.16 0.17 5.55 0.74 -1.26 -0.96 119.66 124.06 1sdy s GLN 3 Ca 0.00 0.43 -0.13 0.00 0.05 0.00 0.00 55.36 55.71 1sdy s GLN 3 Cb 0.00 -0.11 0.01 0.00 1.10 0.00 0.00 33.01 34.01 1sdy s GLN 3 CO 0.00 -0.14 0.39 0.00 -0.55 0.00 0.00 175.29 174.99 1sdy s ALA 4 N 1.06 -0.50 -0.01 1.58 0.00 0.93 -2.35 121.76 122.46 1sdy s ALA 4 Ca -0.08 -0.51 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 1sdy s ALA 4 Cb -0.10 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1sdy s ALA 4 CO -0.06 -0.70 0.26 0.54 0.00 0.00 0.00 175.76 175.80 1sdy s VAL 5 N -3.90 0.06 -0.07 0.00 0.11 -0.32 0.28 120.40 116.56 1sdy s VAL 5 Ca 0.12 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 58.67 1sdy s VAL 5 Cb 0.01 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1sdy s VAL 5 CO -0.03 -0.28 -0.12 0.00 -3.33 0.00 0.00 175.10 171.34 1sdy s ALA 6 N -1.28 1.25 -0.34 1.54 0.00 0.46 0.92 121.76 124.30 1sdy s ALA 6 Ca -0.13 -0.42 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 1sdy s ALA 6 Cb -0.06 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.49 1sdy s ALA 6 CO 0.03 0.06 0.15 0.08 0.00 0.00 0.00 175.76 176.09 1sdy s VAL 7 N 0.76 4.24 -0.17 0.00 1.01 -1.26 -0.28 120.40 124.70 1sdy s VAL 7 Ca -0.13 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 60.70 1sdy s VAL 7 Cb -0.15 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1sdy s VAL 7 CO 0.03 -0.14 0.94 -0.76 0.00 0.00 0.00 175.10 175.17 1sdy s LEU 8 N 1.50 4.17 0.21 3.92 1.02 0.97 -4.05 118.68 126.42 1sdy s LEU 8 Ca 0.01 1.33 -0.07 0.00 0.02 0.00 0.00 54.13 55.42 1sdy s LEU 8 Cb -0.19 -3.41 -0.02 0.00 0.02 0.00 0.00 46.19 42.59 1sdy s LEU 8 CO 0.05 -0.50 0.29 -0.54 0.02 0.00 0.00 176.35 175.67 1sdy s LYS 9 N 2.46 1.31 0.00 1.70 1.02 -0.97 -1.25 119.74 124.01 1sdy s LYS 9 Ca 0.43 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 55.03 1sdy s LYS 9 Cb -0.17 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 1sdy s LYS 9 CO 0.12 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.47 1sdy n GLY 10 N -0.29 -0.58 1.47 -3.33 0.00 -1.26 -1.59 105.19 99.61 1sdy n GLY 10 Ca -0.02 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 3.52 -0.79 1.61 8.00 -1.25 -4.62 116.55 123.01 1sdy n ASP 11 Ca 0.00 -3.79 0.05 0.00 0.71 0.00 0.00 54.79 51.76 1sdy n ASP 11 Cb 0.00 -0.62 0.09 0.00 -0.02 0.00 0.00 41.12 40.57 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 -1.02 2.60 0.00 2.24 0.00 -1.26 -4.97 120.51 118.09 1sdy n ALA 12 Ca 0.39 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.49 1sdy n ALA 12 Cb 0.99 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.37 2.91 3.69 0.00 0.00 -1.26 -4.96 105.19 105.20 1sdy n GLY 13 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1sdy n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sdy s VAL 14 N -1.98 4.93 0.11 1.61 1.01 -1.26 -4.16 120.40 120.65 1sdy s VAL 14 Ca 0.00 1.63 -0.10 0.00 0.00 0.00 0.00 61.98 63.51 1sdy s VAL 14 Cb 0.00 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1sdy s VAL 14 CO 0.00 0.12 0.23 -0.94 0.00 0.00 0.00 175.10 174.51 1sdy s SER 15 N 1.02 0.06 0.00 3.32 1.04 0.15 -4.12 113.70 115.17 1sdy s SER 15 Ca 0.40 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1sdy s SER 15 Cb -0.18 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1sdy s SER 15 CO 0.16 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1sdy n GLY 16 N -0.11 -1.57 2.98 7.32 0.00 -0.38 0.12 105.19 113.55 1sdy n GLY 16 Ca -0.14 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.17 0.83 -0.10 1.61 0.11 -0.50 -0.02 120.40 120.16 1sdy s VAL 17 Ca 0.00 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 1sdy s VAL 17 Cb 0.00 -0.78 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1sdy s VAL 17 CO 0.00 0.28 -0.16 0.68 -3.33 0.00 0.00 175.10 172.57 1sdy s VAL 18 N 0.57 1.49 -0.10 2.04 -7.23 0.62 -2.35 120.40 115.44 1sdy s VAL 18 Ca -0.10 -0.66 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 1sdy s VAL 18 Cb -0.13 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 1sdy s VAL 18 CO 0.02 0.44 0.01 -0.54 -0.31 0.00 0.00 175.10 174.71 1sdy s LYS 19 N 0.84 3.18 0.05 4.82 1.02 -0.21 -0.41 119.74 129.02 1sdy s LYS 19 Ca -0.10 -0.41 0.06 0.00 0.02 0.00 0.00 55.97 55.54 1sdy s LYS 19 Cb -0.15 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 1sdy s LYS 19 CO 0.01 0.60 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.82 1sdy s PHE 20 N -0.60 1.45 -0.06 3.18 0.40 0.14 -1.36 117.98 121.13 1sdy s PHE 20 Ca 0.10 -0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1sdy s PHE 20 Cb -0.12 -0.85 0.04 0.00 0.51 0.00 0.00 43.02 42.60 1sdy s PHE 20 CO 0.02 0.07 0.11 -2.00 0.70 0.00 0.00 175.22 174.12 1sdy s GLU 21 N -1.25 0.00 -0.11 0.44 2.12 -0.77 -0.05 118.70 119.09 1sdy s GLU 21 Ca 0.03 0.43 -0.02 0.00 0.36 0.00 0.00 54.97 55.77 1sdy s GLU 21 Cb -0.08 -0.31 0.04 0.00 0.26 0.00 0.00 34.13 34.03 1sdy s GLU 21 CO 0.02 -0.27 0.01 -1.14 -0.54 0.00 0.00 175.26 173.34 1sdy s GLN 22 N 1.88 0.60 0.11 4.30 0.74 -0.13 -0.56 119.66 126.60 1sdy s GLN 22 Ca -0.00 -0.04 -0.11 0.00 0.05 0.00 0.00 55.36 55.26 1sdy s GLN 22 Cb -0.12 -1.31 -0.13 0.00 1.10 0.00 0.00 33.01 32.55 1sdy s GLN 22 CO -0.05 -0.41 1.31 0.00 -0.55 0.00 0.00 175.29 175.60 1sdy h ALA 23 N 8.31 0.33 -2.67 1.58 0.00 -1.84 -3.40 119.26 121.58 1sdy h ALA 23 Ca -0.19 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.04 1sdy h ALA 23 Cb 1.12 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 1sdy h ALA 23 CO 0.28 0.70 -0.19 -1.54 0.00 0.00 0.00 179.25 178.50 1sdy s SER 24 N -7.11 -0.09 0.45 0.00 1.04 -1.26 -5.01 113.70 101.72 1sdy s SER 24 Ca -0.09 -0.49 0.21 0.00 0.48 0.00 0.00 55.95 56.06 1sdy s SER 24 Cb 0.09 0.43 1.20 0.00 0.10 0.00 0.00 66.02 67.84 1sdy s SER 24 CO 0.90 -0.83 1.87 -0.08 0.98 0.00 0.00 173.24 176.08 1sdy h GLU 25 N 2.50 0.28 0.00 4.02 4.81 -1.91 0.27 114.58 124.54 1sdy h GLU 25 Ca -0.33 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 58.73 1sdy h GLU 25 Cb 1.24 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1sdy h GLU 25 CO 0.49 0.18 -0.84 0.66 -0.73 0.00 0.00 179.01 178.78 1sdy h SER 25 N 0.28 0.00 -4.25 1.04 4.64 -1.96 -3.46 113.55 109.84 1sdy h SER 25 Ca 0.45 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.26 1sdy h SER 25 Cb 1.29 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.53 1sdy h SER 25 CO -0.13 0.66 0.28 -1.61 -0.87 0.00 0.00 176.83 175.16 1sdy s GLU 25 N -2.88 1.77 0.65 4.77 0.41 0.08 -5.03 118.70 118.47 1sdy s GLU 25 Ca 0.02 1.20 -0.09 0.00 -0.41 0.00 0.00 54.97 55.69 1sdy s GLU 25 Cb 0.08 -1.84 0.01 0.00 -1.78 0.00 0.00 34.13 30.60 1sdy s GLU 25 CO 0.78 -2.00 1.00 -1.25 -0.49 0.00 0.00 175.26 173.30 1sdy s PRO 26 N -4.84 2.94 -0.08 0.39 0.04 -1.26 -4.87 135.00 127.32 1sdy s PRO 26 Ca 0.63 0.27 -0.10 0.00 0.04 0.00 0.00 61.00 61.84 1sdy s PRO 26 Cb -0.19 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1sdy s PRO 26 CO 0.57 -0.85 0.23 0.99 0.04 0.00 0.00 177.00 177.98 1sdy s THR 27 N -3.18 5.34 -0.12 1.26 2.01 0.25 -4.69 115.64 116.51 1sdy s THR 27 Ca 0.56 0.43 -0.13 0.00 0.31 0.00 0.00 61.69 62.86 1sdy s THR 27 Cb -0.11 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1sdy s THR 27 CO 0.49 0.60 0.28 -0.89 -0.69 0.00 0.00 174.62 174.41 1sdy s THR 28 N -1.02 5.29 -0.10 -0.82 2.01 0.28 -0.54 115.64 120.73 1sdy s THR 28 Ca 0.18 0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.75 1sdy s THR 28 Cb -0.14 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 1sdy s THR 28 CO 0.07 0.47 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.57 1sdy s VAL 29 N -0.11 2.30 0.01 3.82 1.01 0.23 -1.85 120.40 125.81 1sdy s VAL 29 Ca 0.17 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1sdy s VAL 29 Cb -0.13 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1sdy s VAL 29 CO 0.06 0.55 -0.14 -0.44 0.00 0.00 0.00 175.10 175.13 1sdy s SER 30 N 0.29 1.60 0.08 3.32 0.01 -0.46 -0.29 113.70 118.25 1sdy s SER 30 Ca -0.16 -0.35 -0.11 0.00 1.31 0.00 0.00 55.95 56.65 1sdy s SER 30 Cb -0.17 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 65.93 1sdy s SER 30 CO 0.08 0.10 0.25 -0.72 0.41 0.00 0.00 173.24 173.35 1sdy s TYR 31 N -0.58 0.03 -0.18 2.43 -0.85 0.22 -1.05 117.35 117.37 1sdy s TYR 31 Ca 0.03 -0.37 -0.04 0.00 -0.52 0.00 0.00 57.07 56.17 1sdy s TYR 31 Cb -0.06 0.03 0.08 0.00 0.38 0.00 0.00 41.96 42.39 1sdy s TYR 31 CO 0.00 -0.56 0.22 -2.00 -1.52 0.00 0.00 175.55 171.70 1sdy s GLU 32 N -3.51 0.17 -0.04 -3.49 2.12 -0.99 -0.93 118.70 112.03 1sdy s GLU 32 Ca 0.02 0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.72 1sdy s GLU 32 Cb 0.03 -0.91 -0.00 0.00 0.26 0.00 0.00 34.13 33.51 1sdy s GLU 32 CO -0.09 -0.56 -0.14 0.42 -0.54 0.00 0.00 175.26 174.35 1sdy s ILE 33 N 2.34 1.17 0.19 -3.70 1.01 0.40 -1.41 121.20 121.21 1sdy s ILE 33 Ca 0.06 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.21 1sdy s ILE 33 Cb -0.15 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 1sdy s ILE 33 CO -0.11 0.35 -0.15 0.00 0.00 0.00 0.00 174.94 175.03 1sdy s ALA 34 N 0.11 1.94 0.00 9.38 0.00 0.12 -0.78 121.76 132.52 1sdy s ALA 34 Ca -0.04 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1sdy s ALA 34 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1sdy s ALA 34 CO 0.01 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1sdy n GLY 35 N -0.20 0.81 3.93 0.00 0.00 -1.23 -0.67 105.19 107.83 1sdy n GLY 35 Ca -0.09 -0.16 -0.28 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 -2.15 3.85 0.61 1.61 0.01 -0.81 -4.27 114.94 113.80 1sdy s ASN 35 Ca 0.00 0.36 -0.18 0.00 -0.71 0.00 0.00 52.86 52.33 1sdy s ASN 35 Cb 0.00 -0.64 -0.02 0.00 0.41 0.00 0.00 41.25 41.00 1sdy s ASN 35 CO 0.00 -2.26 1.16 -0.44 -1.51 0.00 0.00 177.10 174.05 1sdy s SER 36 N -4.74 5.21 0.56 -1.22 0.01 -1.26 -4.34 113.70 107.92 1sdy s SER 36 Ca 0.68 2.22 -0.08 0.00 1.31 0.00 0.00 55.95 60.08 1sdy s SER 36 Cb -0.07 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1sdy s SER 36 CO 0.50 -1.57 0.92 -2.16 0.41 0.00 0.00 173.24 171.34 1sdy s PRO 37 N -3.58 3.56 -1.31 12.44 0.05 -1.26 -4.25 135.00 140.64 1sdy s PRO 37 Ca 0.73 0.49 -0.20 0.00 0.05 0.00 0.00 61.00 62.07 1sdy s PRO 37 Cb -0.26 -2.21 0.02 0.00 0.05 0.00 0.00 34.50 32.10 1sdy s PRO 37 CO 0.35 -0.42 0.49 0.09 0.05 0.00 0.00 177.00 177.56 1sdy n ASN 38 N -2.54 -2.54 -3.10 6.66 3.02 -0.16 -4.92 115.26 111.68 1sdy n ASN 38 Ca 0.04 -1.23 -0.18 0.00 -0.03 0.00 0.00 54.58 53.18 1sdy n ASN 38 Cb 0.55 -2.04 -0.07 0.00 -0.61 0.00 0.00 39.78 37.61 1sdy n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sdy n ALA 39 N -4.75 0.65 -3.60 5.41 0.00 -1.21 -4.91 120.51 112.10 1sdy n ALA 39 Ca -0.19 -1.80 -0.28 0.00 0.00 0.00 0.00 53.44 51.17 1sdy n ALA 39 Cb 0.62 1.44 -0.17 0.00 0.00 0.00 0.00 19.45 21.34 1sdy n ALA 39 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1sdy s GLU 40 N -3.26 2.25 0.02 0.00 2.02 -1.26 0.85 118.70 119.32 1sdy s GLU 40 Ca 0.35 -0.58 0.05 0.00 0.02 0.00 0.00 54.97 54.81 1sdy s GLU 40 Cb 0.02 -1.88 -0.02 0.00 0.10 0.00 0.00 34.13 32.35 1sdy s GLU 40 CO 0.25 -0.03 -0.15 1.03 0.02 0.00 0.00 175.26 176.38 1sdy s ARG 41 N 0.89 1.11 0.22 1.61 1.81 -0.31 -2.98 118.95 121.30 1sdy s ARG 41 Ca -0.09 -0.68 -0.30 0.00 -1.72 0.00 0.00 55.73 52.95 1sdy s ARG 41 Cb -0.15 -1.11 -0.09 0.00 -0.45 0.00 0.00 34.95 33.14 1sdy s ARG 41 CO -0.00 0.29 1.37 0.20 -0.68 0.00 0.00 175.30 176.48 1sdy s GLY 42 N -0.78 2.38 -0.26 -3.53 0.00 -0.66 -1.21 107.32 103.26 1sdy s GLY 42 Ca 0.04 1.21 -0.01 0.00 0.00 0.00 0.00 44.72 45.97 1sdy s GLY 42 CO 0.00 2.18 0.03 -0.12 0.00 0.00 0.00 173.10 175.20 1sdy s PHE 43 N 0.07 1.84 0.06 1.90 5.36 0.20 -1.17 117.98 126.24 1sdy s PHE 43 Ca 0.58 -1.58 -0.01 0.00 -0.96 0.00 0.00 56.93 54.97 1sdy s PHE 43 Cb -0.39 -1.56 -0.04 0.00 -0.34 0.00 0.00 43.02 40.69 1sdy s PHE 43 CO 0.40 -0.78 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.34 1sdy s HIS 44 N 1.58 0.58 -0.29 10.12 3.76 -0.81 -1.95 115.29 128.29 1sdy s HIS 44 Ca 0.02 -1.05 -0.14 0.00 -0.15 0.00 0.00 55.06 53.74 1sdy s HIS 44 Cb -0.18 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.07 1sdy s HIS 44 CO -0.14 -0.35 0.33 0.42 -0.85 0.00 0.00 174.74 174.15 1sdy s ILE 45 N -3.88 5.20 0.23 0.60 1.01 0.04 -0.32 121.20 124.08 1sdy s ILE 45 Ca 0.08 0.38 -0.01 0.00 0.00 0.00 0.00 60.65 61.10 1sdy s ILE 45 Cb 0.08 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1sdy s ILE 45 CO -0.09 0.12 0.43 -1.00 0.00 0.00 0.00 174.94 174.40 1sdy s HIS 46 N 2.00 3.48 0.23 3.97 3.76 0.28 -1.28 115.29 127.72 1sdy s HIS 46 Ca 0.13 0.35 -0.09 0.00 -0.15 0.00 0.00 55.06 55.29 1sdy s HIS 46 Cb -0.16 -1.86 0.35 0.00 1.11 0.00 0.00 32.58 32.02 1sdy s HIS 46 CO 0.11 0.33 1.66 1.49 -0.85 0.00 0.00 174.74 177.48 1sdy h GLU 47 N 1.76 0.14 -5.82 1.40 4.81 -0.52 -1.58 114.58 114.77 1sdy h GLU 47 Ca -0.48 -0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.07 1sdy h GLU 47 Cb 1.20 -0.03 -0.17 0.00 0.63 0.00 0.00 28.75 30.37 1sdy h GLU 47 CO 0.66 0.09 -0.64 -0.06 -0.73 0.00 0.00 179.01 178.33 1sdy s PHE 48 N -6.12 3.09 -0.81 0.92 0.08 -0.21 -4.68 117.98 110.25 1sdy s PHE 48 Ca -0.13 0.04 -0.03 0.00 0.12 0.00 0.00 56.93 56.93 1sdy s PHE 48 Cb 0.20 -1.83 0.26 0.00 -0.57 0.00 0.00 43.02 41.08 1sdy s PHE 48 CO 0.74 0.31 2.20 0.41 -0.10 0.00 0.00 175.22 178.78 1sdy n GLY 49 N 2.55 5.31 3.28 4.36 0.00 -1.03 -3.17 105.19 116.49 1sdy n GLY 49 Ca -0.18 -2.32 -0.38 0.00 0.00 0.00 0.00 46.02 43.13 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 -0.68 5.40 -0.13 1.61 -1.08 -1.26 -4.93 116.67 115.60 1sdy s ASP 50 Ca 0.52 -1.18 0.15 0.00 -0.52 0.00 0.00 52.55 51.52 1sdy s ASP 50 Cb 0.37 -1.90 0.52 0.00 -1.46 0.00 0.00 42.92 40.45 1sdy s ASP 50 CO -0.31 -0.36 1.43 0.00 0.52 0.00 0.00 175.17 176.45 1sdy n ALA 51 N 4.84 2.88 -0.31 3.66 0.00 -1.26 -3.39 120.51 126.92 1sdy n ALA 51 Ca -0.12 -1.93 -0.04 0.00 0.00 0.00 0.00 53.44 51.36 1sdy n ALA 51 Cb 0.45 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 1sdy n ALA 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1sdy n THR 52 N -0.02 -0.46 -1.11 0.00 -1.04 -1.26 -0.50 114.28 109.89 1sdy n THR 52 Ca 0.20 1.87 0.03 0.00 -2.04 0.00 0.00 64.05 64.11 1sdy n THR 52 Cb 0.80 -2.41 0.25 0.00 -1.82 0.00 0.00 70.33 67.15 1sdy n THR 52 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1sdy n ASN 53 N -5.10 3.71 0.00 8.00 4.13 -1.26 -5.09 115.26 119.65 1sdy n ASN 53 Ca 0.06 -3.22 0.00 0.00 1.68 0.00 0.00 54.58 53.09 1sdy n ASN 53 Cb 0.28 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 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 -0.60 -1.81 0.29 7.41 0.00 0.34 -4.41 105.19 106.41 1sdy n GLY 54 Ca 0.27 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.65 1sdy n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdy n VAL 56 N -3.99 1.21 1.32 0.00 0.24 -1.26 -1.64 118.33 114.21 1sdy n VAL 56 Ca -0.03 0.33 0.14 0.00 -2.04 0.00 0.00 64.34 62.74 1sdy n VAL 56 Cb 0.10 -1.17 0.52 0.00 -1.47 0.00 0.00 33.84 31.82 1sdy n VAL 56 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1sdy n SER 57 N -1.63 0.65 0.02 -1.34 7.64 0.18 -4.01 113.62 115.15 1sdy n SER 57 Ca 0.02 -0.64 0.10 0.00 1.01 0.00 0.00 58.87 59.36 1sdy n SER 57 Cb 0.13 -0.00 0.42 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.88 1.89 0.00 -0.43 0.00 -0.65 -4.50 120.51 115.94 1sdy n ALA 58 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1sdy n ALA 58 Cb 0.31 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.50 -2.06 3.04 0.00 0.00 -1.26 -1.04 105.19 104.37 1sdy n GLY 59 Ca 0.04 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 -1.33 -2.25 1.61 -0.04 -1.26 -4.59 135.00 127.15 1sdy n PRO 60 Ca 0.00 -1.60 -0.38 0.00 -0.04 0.00 0.00 63.50 61.47 1sdy n PRO 60 Cb 0.00 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 -3.20 3.02 -0.01 0.54 3.76 -1.26 -0.11 115.29 118.02 1sdy s HIS 61 Ca 0.60 1.53 -0.30 0.00 -0.15 0.00 0.00 55.06 56.74 1sdy s HIS 61 Cb -0.02 -3.44 -0.07 0.00 1.11 0.00 0.00 32.58 30.16 1sdy s HIS 61 CO 0.42 -1.46 1.73 0.12 -0.85 0.00 0.00 174.74 174.71 1sdy s PHE 62 N -1.39 1.86 -0.45 1.40 5.36 -0.41 -4.48 117.98 119.88 1sdy s PHE 62 Ca 0.57 0.04 0.07 0.00 -0.96 0.00 0.00 56.93 56.65 1sdy s PHE 62 Cb -0.32 -4.01 0.25 0.00 -0.34 0.00 0.00 43.02 38.61 1sdy s PHE 62 CO 0.40 -4.30 0.76 -1.71 -1.46 0.00 0.00 175.22 168.92 1sdy n ASN 63 N 7.03 -1.55 0.12 6.13 4.05 -1.26 -1.76 115.26 128.02 1sdy n ASN 63 Ca 0.18 -3.09 0.02 0.00 0.45 0.00 0.00 54.58 52.13 1sdy n ASN 63 Cb 0.42 0.81 0.36 0.00 1.23 0.00 0.00 39.78 42.59 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 3.88 0.22 -0.90 1.20 0.13 -1.98 -2.87 132.00 131.68 1sdy h PRO 64 Ca -0.05 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1sdy h PRO 64 Cb 0.98 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1sdy h PRO 64 CO 0.37 0.42 0.01 1.19 -0.23 0.00 0.00 178.00 179.77 1sdy n PHE 65 N -4.21 0.58 -4.35 1.56 3.72 -1.26 -4.94 117.46 108.56 1sdy n PHE 65 Ca -0.01 -0.24 -0.38 0.00 -0.05 0.00 0.00 57.45 56.77 1sdy n PHE 65 Cb 0.32 -0.23 -0.08 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.16 -0.77 -1.22 -1.08 4.76 -1.08 -4.95 118.16 113.98 1sdy n LYS 66 Ca 0.08 0.12 -0.06 0.00 -2.87 0.00 0.00 58.31 55.59 1sdy n LYS 66 Cb 0.53 -4.24 0.03 0.00 -1.84 0.00 0.00 35.03 29.51 1sdy n LYS 66 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1sdy n LYS 67 N -3.96 0.55 -4.09 1.97 4.76 -1.26 -5.11 118.16 111.02 1sdy n LYS 67 Ca 0.03 -0.72 -0.28 0.00 -2.87 0.00 0.00 58.31 54.47 1sdy n LYS 67 Cb 0.47 -0.14 -0.06 0.00 -1.84 0.00 0.00 35.03 33.46 1sdy n LYS 67 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1sdy s THR 68 N -0.43 4.37 0.41 -0.18 2.01 -1.26 -4.78 115.64 115.78 1sdy s THR 68 Ca 0.17 -1.01 -0.26 0.00 0.31 0.00 0.00 61.69 60.90 1sdy s THR 68 Cb -0.01 -3.17 -0.09 0.00 0.01 0.00 0.00 72.50 69.24 1sdy s THR 68 CO 0.11 -0.01 1.35 -2.28 -0.69 0.00 0.00 174.62 173.09 1sdy s HIS 69 N -1.59 2.72 0.00 4.92 2.46 0.29 -3.28 115.29 120.81 1sdy s HIS 69 Ca 0.29 1.36 0.00 0.00 0.47 0.00 0.00 55.06 57.18 1sdy s HIS 69 Cb -0.11 -3.76 0.00 0.00 -0.13 0.00 0.00 32.58 28.58 1sdy s HIS 69 CO 0.22 -2.36 0.00 0.41 -2.47 0.00 0.00 174.74 170.54 1sdy n GLY 70 N 0.64 2.50 3.92 1.59 0.00 -1.26 -4.51 105.19 108.06 1sdy n GLY 70 Ca 0.04 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.04 3.59 0.64 4.61 0.00 -1.22 -4.76 121.76 123.58 1sdy s ALA 71 Ca 0.00 -0.66 0.33 0.00 0.00 0.00 0.00 51.96 51.63 1sdy s ALA 71 Cb 0.00 -2.31 1.79 0.00 0.00 0.00 0.00 23.12 22.60 1sdy s ALA 71 CO 0.00 0.02 2.07 -1.35 0.00 0.00 0.00 175.76 176.50 1sdy h PRO 72 N 1.05 0.00 -0.01 0.00 0.11 -1.90 0.19 132.00 131.43 1sdy h PRO 72 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1sdy h PRO 72 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sdy h PRO 72 CO 0.63 0.00 -0.69 0.25 -0.21 0.00 0.00 178.00 177.99 1sdy n THR 73 N -3.29 0.00 -1.93 -1.15 -2.24 -1.26 -4.96 114.28 99.45 1sdy n THR 73 Ca -0.00 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.37 1sdy n THR 73 Cb 0.33 0.99 0.07 0.00 -2.10 0.00 0.00 70.33 69.62 1sdy n THR 73 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sdy s ASP 74 N -2.75 4.89 0.06 3.42 1.01 0.66 -4.98 116.67 118.97 1sdy s ASP 74 Ca 0.14 0.88 -0.11 0.00 0.71 0.00 0.00 52.55 54.16 1sdy s ASP 74 Cb 0.17 -1.50 -0.28 0.00 1.01 0.00 0.00 42.92 42.33 1sdy s ASP 74 CO 0.71 -1.66 1.12 -0.08 0.21 0.00 0.00 175.17 175.46 1sdy h GLU 75 N -0.86 0.51 -4.54 8.23 4.57 -1.93 -3.41 114.58 117.14 1sdy h GLU 75 Ca -0.45 -0.73 -0.72 0.00 -1.18 0.00 0.00 59.36 56.28 1sdy h GLU 75 Cb 1.30 0.25 -0.21 0.00 -0.16 0.00 0.00 28.75 29.93 1sdy h GLU 75 CO 0.65 1.32 -0.19 0.08 -1.18 0.00 0.00 179.01 179.69 1sdy s VAL 76 N -2.87 5.10 0.05 0.32 1.01 -1.26 -4.98 120.40 117.76 1sdy s VAL 76 Ca -0.08 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 1sdy s VAL 76 Cb 0.06 -4.19 0.09 0.00 0.00 0.00 0.00 36.38 32.34 1sdy s VAL 76 CO 0.92 -0.66 0.75 0.00 0.00 0.00 0.00 175.10 176.11 1sdy s ARG 77 N 2.00 1.02 0.50 2.72 1.70 -1.21 -4.06 118.95 121.63 1sdy s ARG 77 Ca 0.08 -0.27 -0.20 0.00 -0.47 0.00 0.00 55.73 54.87 1sdy s ARG 77 Cb -0.22 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.56 1sdy s ARG 77 CO 0.09 -0.43 1.08 -1.01 -1.08 0.00 0.00 175.30 173.95 1sdy s HIS 78 N -2.99 2.89 0.33 5.89 3.76 -1.21 -4.68 115.29 119.27 1sdy s HIS 78 Ca 0.01 1.57 0.37 0.00 -0.15 0.00 0.00 55.06 56.85 1sdy s HIS 78 Cb -0.01 -3.18 1.73 0.00 1.11 0.00 0.00 32.58 32.24 1sdy s HIS 78 CO -0.08 -1.14 2.12 -0.39 -0.85 0.00 0.00 174.74 174.41 1sdy h VAL 79 N 1.50 0.08 -0.01 -0.90 -1.51 -1.86 -2.62 116.25 110.93 1sdy h VAL 79 Ca -0.50 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 1sdy h VAL 79 Cb 1.24 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1sdy h VAL 79 CO 0.59 0.02 0.00 0.61 -1.23 0.00 0.00 177.57 177.55 1sdy n GLY 80 N -0.42 -0.91 3.55 5.19 0.00 -0.72 -4.49 105.19 107.40 1sdy n GLY 80 Ca -0.01 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.46 6.38 -0.08 1.61 1.01 -0.99 -0.78 116.67 122.37 1sdy s ASP 81 Ca 0.23 -0.12 0.16 0.00 0.71 0.00 0.00 52.55 53.52 1sdy s ASP 81 Cb 0.10 -2.51 0.54 0.00 1.01 0.00 0.00 42.92 42.06 1sdy s ASP 81 CO 0.17 -1.43 1.46 0.23 0.21 0.00 0.00 175.17 175.81 1sdy n MET 82 N 8.19 3.19 0.00 8.23 2.81 -0.82 -4.16 117.12 134.56 1sdy n MET 82 Ca 0.05 -2.58 0.00 0.00 -1.81 0.00 0.00 57.70 53.37 1sdy n MET 82 Cb 0.48 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.66 3.06 3.65 3.03 0.00 -1.24 -4.75 105.19 109.60 1sdy n GLY 83 Ca 0.20 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 4.84 0.01 1.61 0.01 -1.26 -0.63 114.94 115.52 1sdy s ASN 84 Ca 0.00 -0.23 0.02 0.00 -0.71 0.00 0.00 52.86 51.93 1sdy s ASN 84 Cb 0.00 -1.10 -0.04 0.00 0.41 0.00 0.00 41.25 40.53 1sdy s ASN 84 CO 0.00 0.18 0.01 0.68 -1.51 0.00 0.00 177.10 176.46 1sdy s VAL 85 N -1.27 4.20 -0.19 1.60 -7.23 -0.35 -4.90 120.40 112.27 1sdy s VAL 85 Ca 0.24 -0.61 -0.08 0.00 -1.81 0.00 0.00 61.98 59.72 1sdy s VAL 85 Cb -0.11 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 1sdy s VAL 85 CO 0.17 0.35 0.08 -0.54 -0.31 0.00 0.00 175.10 174.85 1sdy s LYS 86 N -1.63 4.04 0.18 4.82 1.02 -1.26 -1.16 119.74 125.75 1sdy s LYS 86 Ca 0.20 -0.31 -0.00 0.00 0.02 0.00 0.00 55.97 55.88 1sdy s LYS 86 Cb -0.12 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1sdy s LYS 86 CO 0.11 0.28 0.36 0.95 -0.92 0.00 0.00 175.35 176.14 1sdy s THR 87 N 0.36 5.24 0.00 2.17 -4.23 0.25 -4.46 115.64 114.97 1sdy s THR 87 Ca 0.04 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 1sdy s THR 87 Cb -0.12 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1sdy s THR 87 CO -0.00 -0.14 0.00 -0.90 -0.54 0.00 0.00 174.62 173.04 1sdy n ASP 88 N -0.58 0.00 0.28 3.99 5.68 0.20 -2.56 116.55 123.56 1sdy n ASP 88 Ca -0.05 -0.80 0.14 0.00 -0.50 0.00 0.00 54.79 53.58 1sdy n ASP 88 Cb 0.54 0.00 0.85 0.00 -1.14 0.00 0.00 41.12 41.36 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 -0.67 0.11 9.09 -1.92 0.15 114.58 121.34 1sdy h GLU 89 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1sdy h GLU 89 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1sdy h GLU 89 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 1sdy n ASN 90 N -4.02 4.80 -0.03 3.06 3.02 -1.26 -4.75 115.26 116.09 1sdy n ASN 90 Ca -0.03 -2.43 -0.00 0.00 -0.03 0.00 0.00 54.58 52.09 1sdy n ASN 90 Cb 0.10 -0.59 -0.00 0.00 -0.61 0.00 0.00 39.78 38.68 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 1.19 0.47 3.73 7.41 0.00 -0.14 -4.67 105.19 113.19 1sdy n GLY 91 Ca 0.26 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.98 5.08 -0.19 1.61 1.01 -1.26 -1.92 120.40 122.76 1sdy s VAL 92 Ca 0.00 1.17 -0.03 0.00 0.00 0.00 0.00 61.98 63.12 1sdy s VAL 92 Cb 0.00 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1sdy s VAL 92 CO 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 175.10 175.36 1sdy s ALA 93 N 0.44 2.78 -0.01 5.51 0.00 0.04 -0.63 121.76 129.89 1sdy s ALA 93 Ca 0.31 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 1sdy s ALA 93 Cb -0.17 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1sdy s ALA 93 CO 0.14 -0.14 0.01 0.21 0.00 0.00 0.00 175.76 175.98 1sdy s LYS 94 N 1.00 0.01 0.00 0.00 2.20 -1.26 -0.45 119.74 121.23 1sdy s LYS 94 Ca -0.00 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1sdy s LYS 94 Cb -0.15 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.15 1sdy s LYS 94 CO -0.00 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 1sdy n GLY 95 N 3.22 -2.05 3.14 5.54 0.00 -0.10 -4.96 105.19 109.97 1sdy n GLY 95 Ca -0.14 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 1sdy n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sdy s SER 96 N -1.33 -0.08 0.26 1.61 0.01 -1.25 0.70 113.70 113.61 1sdy s SER 96 Ca 0.00 0.00 -0.11 0.00 1.31 0.00 0.00 55.95 57.15 1sdy s SER 96 Cb 0.00 0.28 -0.00 0.00 0.21 0.00 0.00 66.02 66.51 1sdy s SER 96 CO 0.00 -0.32 0.46 0.72 0.41 0.00 0.00 173.24 174.51 1sdy s PHE 97 N -1.04 0.48 -0.03 2.43 -0.12 0.60 -4.97 117.98 115.32 1sdy s PHE 97 Ca -0.11 -0.83 0.06 0.00 -0.05 0.00 0.00 56.93 56.00 1sdy s PHE 97 Cb -0.06 0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.45 1sdy s PHE 97 CO 0.02 -1.00 -0.22 0.15 -0.05 0.00 0.00 175.22 174.12 1sdy s LYS 98 N -3.90 2.04 0.02 1.99 1.02 -1.26 0.77 119.74 120.42 1sdy s LYS 98 Ca 0.24 -0.80 -0.00 0.00 0.02 0.00 0.00 55.97 55.43 1sdy s LYS 98 Cb -0.00 -1.85 -0.02 0.00 -0.52 0.00 0.00 37.83 35.44 1sdy s LYS 98 CO 0.10 0.41 -0.03 0.34 -0.92 0.00 0.00 175.35 175.26 1sdy s ASP 99 N -0.31 0.25 -0.11 2.83 2.15 0.29 -4.91 116.67 116.86 1sdy s ASP 99 Ca 0.03 -0.52 0.16 0.00 0.43 0.00 0.00 52.55 52.64 1sdy s ASP 99 Cb -0.11 0.11 -0.23 0.00 -0.30 0.00 0.00 42.92 42.39 1sdy s ASP 99 CO 0.01 -0.32 0.19 -1.20 -0.17 0.00 0.00 175.17 173.68 1sdy n SER 100 N 1.51 0.92 -0.03 -0.34 7.64 -1.26 0.87 113.62 122.93 1sdy n SER 100 Ca -0.23 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.50 1sdy n SER 100 Cb 0.55 1.26 -0.11 0.00 -1.01 0.00 0.00 64.21 64.91 1sdy n SER 100 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1sdy h LEU 101 N 0.00 0.19 -9.40 -3.43 3.38 -1.96 -3.46 115.31 100.64 1sdy h LEU 101 Ca -0.27 -0.73 -0.54 0.00 0.09 0.00 0.00 57.88 56.43 1sdy h LEU 101 Cb 1.55 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 42.24 1sdy h LEU 101 CO 0.01 0.89 0.89 -0.63 0.09 0.00 0.00 178.44 179.69 1sdy s ILE 102 N -3.31 3.50 0.16 1.22 1.01 -1.26 -5.00 121.20 117.51 1sdy s ILE 102 Ca -0.16 0.90 0.04 0.00 0.00 0.00 0.00 60.65 61.43 1sdy s ILE 102 Cb 0.01 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1sdy s ILE 102 CO 0.73 -0.00 -0.08 -0.54 0.00 0.00 0.00 174.94 175.05 1sdy s LYS 103 N 2.48 1.09 -0.02 2.79 1.02 -1.26 -4.14 119.74 121.69 1sdy s LYS 103 Ca 0.67 -1.48 0.19 0.00 0.02 0.00 0.00 55.97 55.36 1sdy s LYS 103 Cb -0.34 -0.57 -0.28 0.00 -0.52 0.00 0.00 37.83 36.12 1sdy s LYS 103 CO 0.28 0.03 0.45 1.28 -0.92 0.00 0.00 175.35 176.47 1sdy n LEU 104 N -0.22 0.09 -4.32 3.17 4.32 -1.26 -0.14 117.00 118.64 1sdy n LEU 104 Ca -0.09 -0.05 -0.25 0.00 -0.02 0.00 0.00 56.01 55.60 1sdy n LEU 104 Cb 0.61 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.29 1sdy n LEU 104 CO 0.33 0.02 -0.52 -0.63 -1.22 0.00 0.00 177.39 175.37 1sdy s ILE 105 N -3.24 1.85 0.00 -0.08 1.01 -1.26 -4.67 121.20 114.81 1sdy s ILE 105 Ca -0.05 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 58.95 1sdy s ILE 105 Cb 0.12 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1sdy s ILE 105 CO 0.78 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 176.26 1sdy n GLY 106 N 0.92 -2.80 0.33 6.18 0.00 -1.26 -4.26 105.19 104.31 1sdy n GLY 106 Ca -0.18 -1.69 0.21 0.00 0.00 0.00 0.00 46.02 44.36 1sdy n GLY 106 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sdy h PRO 107 N 0.00 0.00 -0.40 1.61 0.11 -1.99 -0.72 132.00 130.61 1sdy h PRO 107 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1sdy h PRO 107 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1sdy h PRO 107 CO 0.00 0.00 0.03 0.25 -0.21 0.00 0.00 178.00 178.07 1sdy n THR 108 N -3.24 2.50 -1.66 -1.15 -2.24 -1.26 -5.02 114.28 102.20 1sdy n THR 108 Ca -0.03 -1.81 -0.41 0.00 -2.27 0.00 0.00 64.05 59.53 1sdy n THR 108 Cb 0.08 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.26 1.98 -0.26 3.42 2.88 -0.28 -4.36 113.62 116.75 1sdy n SER 109 Ca 0.26 1.06 0.12 0.00 -1.33 0.00 0.00 58.87 58.98 1sdy n SER 109 Cb 1.04 -1.44 0.23 0.00 -0.75 0.00 0.00 64.21 63.28 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 -0.43 0.00 -1.67 2.46 0.24 0.80 -4.93 118.33 114.81 1sdy n VAL 110 Ca 0.08 -0.13 -0.46 0.00 -2.04 0.00 0.00 64.34 61.79 1sdy n VAL 110 Cb 0.40 0.63 -0.04 0.00 -1.47 0.00 0.00 33.84 33.37 1sdy n VAL 110 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1sdy n VAL 111 N -0.67 0.39 -0.89 3.34 0.31 -1.26 -0.87 118.33 118.68 1sdy n VAL 111 Ca 0.10 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1sdy n VAL 111 Cb 0.37 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1sdy n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sdy n GLY 112 N 2.87 0.63 1.23 2.92 0.00 0.56 -4.99 105.19 108.40 1sdy n GLY 112 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.72 1.17 -4.46 1.61 1.74 -0.05 -2.47 116.66 111.49 1sdy n ARG 113 Ca 0.00 -1.10 -0.30 0.00 -0.77 0.00 0.00 57.85 55.68 1sdy n ARG 113 Cb 0.00 0.09 -0.12 0.00 -1.02 0.00 0.00 32.46 31.41 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 -2.06 3.97 -0.15 0.55 0.01 -0.60 -1.22 113.70 114.20 1sdy s SER 114 Ca 0.12 -0.45 -0.12 0.00 1.31 0.00 0.00 55.95 56.80 1sdy s SER 114 Cb -0.01 -0.65 -0.05 0.00 0.21 0.00 0.00 66.02 65.52 1sdy s SER 114 CO 0.07 0.22 0.25 -0.69 0.41 0.00 0.00 173.24 173.50 1sdy s VAL 115 N -1.05 5.33 -0.04 3.43 1.01 0.02 0.10 120.40 129.20 1sdy s VAL 115 Ca 0.17 0.46 0.06 0.00 0.00 0.00 0.00 61.98 62.67 1sdy s VAL 115 Cb -0.11 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1sdy s VAL 115 CO 0.08 0.43 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 1sdy s VAL 116 N 0.21 1.70 -0.18 2.92 1.01 0.56 -1.47 120.40 125.15 1sdy s VAL 116 Ca 0.15 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1sdy s VAL 116 Cb -0.13 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1sdy s VAL 116 CO 0.03 0.48 -0.10 -0.51 0.00 0.00 0.00 175.10 175.01 1sdy s ILE 117 N -0.24 3.10 0.80 2.22 1.10 -0.43 -1.92 121.20 125.84 1sdy s ILE 117 Ca 0.01 -0.61 -0.09 0.00 -0.51 0.00 0.00 60.65 59.45 1sdy s ILE 117 Cb -0.11 -2.36 0.12 0.00 0.15 0.00 0.00 42.46 40.27 1sdy s ILE 117 CO 0.01 0.48 1.13 -1.00 -2.11 0.00 0.00 174.94 173.45 1sdy s HIS 118 N 0.98 2.23 -0.47 3.50 3.76 -0.32 -2.52 115.29 122.45 1sdy s HIS 118 Ca -0.01 0.30 0.22 0.00 -0.15 0.00 0.00 55.06 55.42 1sdy s HIS 118 Cb -0.15 -3.50 -0.09 0.00 1.11 0.00 0.00 32.58 29.95 1sdy s HIS 118 CO -0.01 -1.92 0.87 0.00 -0.85 0.00 0.00 174.74 172.83 1sdy n ALA 119 N -3.23 3.32 -4.19 -1.40 0.00 -0.54 -4.57 120.51 109.90 1sdy n ALA 119 Ca 0.12 -0.44 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 1sdy n ALA 119 Cb 0.60 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 19.09 1sdy n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdy n GLY 120 N 1.34 3.28 3.79 0.00 0.00 -0.66 -4.98 105.19 107.96 1sdy n GLY 120 Ca 0.00 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 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 -3.21 4.45 -0.11 1.61 0.74 -1.16 -1.65 119.66 120.32 1sdy s GLN 121 Ca 0.23 1.08 -0.27 0.00 0.05 0.00 0.00 55.36 56.45 1sdy s GLN 121 Cb 0.01 -3.02 -0.02 0.00 1.10 0.00 0.00 33.01 31.08 1sdy s GLN 121 CO 0.16 0.44 0.87 0.34 -0.55 0.00 0.00 175.29 176.56 1sdy s ASP 122 N -1.44 7.09 -0.01 6.67 -1.08 -1.26 -3.90 116.67 122.74 1sdy s ASP 122 Ca 0.42 1.33 0.05 0.00 -0.52 0.00 0.00 52.55 53.83 1sdy s ASP 122 Cb -0.20 -2.49 0.16 0.00 -1.46 0.00 0.00 42.92 38.94 1sdy s ASP 122 CO 0.24 -0.34 1.09 -0.90 0.52 0.00 0.00 175.17 175.77 1sdy n ASP 123 N 4.72 1.12 -0.89 -0.34 5.68 0.73 -4.84 116.55 122.73 1sdy n ASP 123 Ca 0.05 -2.03 -0.10 0.00 -0.50 0.00 0.00 54.79 52.21 1sdy n ASP 123 Cb 0.50 -0.18 -0.04 0.00 -1.14 0.00 0.00 41.12 40.26 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 0.04 -0.40 0.00 -2.12 4.77 -1.26 -1.19 117.00 116.84 1sdy n LEU 124 Ca 0.06 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1sdy n LEU 124 Cb 0.20 -2.19 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 1sdy n LEU 124 CO 0.05 -0.81 0.00 0.61 -1.33 0.00 0.00 177.39 175.91 1sdy n GLY 125 N 0.12 0.69 1.76 -0.72 0.00 -1.25 -3.43 105.19 102.37 1sdy n GLY 125 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1sdy n GLY 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sdy n LYS 126 N -2.05 4.51 -2.25 1.61 4.76 -0.33 -4.71 118.16 119.70 1sdy n LYS 126 Ca 0.00 -3.08 -0.27 0.00 -2.87 0.00 0.00 58.31 52.09 1sdy n LYS 126 Cb 0.00 -2.15 0.14 0.00 -1.84 0.00 0.00 35.03 31.18 1sdy n LYS 126 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1sdy s GLY 127 N -0.89 1.76 -0.00 0.72 0.00 -1.26 -5.00 107.32 102.66 1sdy s GLY 127 Ca 0.53 -1.43 0.18 0.00 0.00 0.00 0.00 44.72 44.01 1sdy s GLY 127 CO 0.18 -0.77 0.76 2.09 0.00 0.00 0.00 173.10 175.35 1sdy n ASP 128 N -3.29 0.86 -4.64 1.64 5.68 -1.26 -4.94 116.55 110.60 1sdy n ASP 128 Ca 0.15 -0.87 -0.29 0.00 -0.50 0.00 0.00 54.79 53.28 1sdy n ASP 128 Cb 0.60 1.06 0.16 0.00 -1.14 0.00 0.00 41.12 41.80 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 -2.79 1.96 0.00 2.12 -4.23 -1.26 -4.99 115.64 106.46 1sdy s THR 129 Ca 0.06 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.38 1sdy s THR 129 Cb 0.14 -2.69 -0.31 0.00 1.34 0.00 0.00 72.50 70.98 1sdy s THR 129 CO 0.76 0.00 1.00 -0.33 -0.54 0.00 0.00 174.62 175.51 1sdy h GLU 130 N -1.68 0.45 -0.42 3.99 5.08 -2.02 -3.28 114.58 116.70 1sdy h GLU 130 Ca -0.50 -0.68 0.12 0.00 -1.00 0.00 0.00 59.36 57.30 1sdy h GLU 130 Cb 1.32 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.80 1sdy h GLU 130 CO 0.57 1.31 0.32 0.93 -1.00 0.00 0.00 179.01 181.14 1sdy h GLU 131 N -0.06 0.00 -0.86 2.33 4.39 -1.99 -1.25 114.58 117.14 1sdy h GLU 131 Ca -0.17 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.55 1sdy h GLU 131 Cb 1.79 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.39 1sdy h GLU 131 CO 0.20 0.00 0.57 1.03 -1.16 0.00 0.00 179.01 179.65 1sdy h SER 132 N 0.00 0.95 1.04 1.42 0.87 -1.92 0.47 113.55 116.38 1sdy h SER 132 Ca 0.20 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1sdy h SER 132 Cb 0.84 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1sdy h SER 132 CO -0.00 0.67 0.00 0.18 -0.53 0.00 0.00 176.83 177.15 1sdy n LEU 133 N -4.43 0.35 -0.10 2.23 4.77 -0.48 -2.08 117.00 117.27 1sdy n LEU 133 Ca 0.11 0.55 -0.18 0.00 -0.03 0.00 0.00 56.01 56.46 1sdy n LEU 133 Cb 0.07 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1sdy n LEU 133 CO 0.36 -0.17 -0.99 0.29 -1.33 0.00 0.00 177.39 175.55 1sdy n LYS 134 N -1.84 0.51 0.00 3.23 5.02 0.09 -0.55 118.16 124.61 1sdy n LYS 134 Ca 0.05 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1sdy n LYS 134 Cb 0.33 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 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 -4.25 0.00 -1.23 -0.18 -2.24 0.14 -4.63 114.28 101.90 1sdy n THR 135 Ca -0.31 -0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.15 1sdy n THR 135 Cb 0.66 1.52 -0.03 0.00 -2.10 0.00 0.00 70.33 70.38 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 -0.00 0.94 3.08 3.38 0.00 -0.88 -3.21 105.19 108.49 1sdy n GLY 136 Ca 0.00 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.16 -5.67 0.00 1.61 3.02 -1.26 0.26 115.26 113.06 1sdy n ASN 137 Ca -0.08 -0.30 0.12 0.00 -0.03 0.00 0.00 54.58 54.29 1sdy n ASN 137 Cb 0.36 -4.60 0.72 0.00 -0.61 0.00 0.00 39.78 35.65 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 -3.54 2.47 -0.66 5.41 0.00 -1.20 -4.70 120.51 118.30 1sdy n ALA 138 Ca -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1sdy n ALA 138 Cb 0.61 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.63 0.14 3.32 0.00 0.00 -1.26 -1.65 105.19 106.36 1sdy n GLY 139 Ca 0.18 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.31 -3.76 1.61 -0.04 -1.26 -4.66 135.00 123.58 1sdy n PRO 140 Ca 0.00 -0.96 -0.34 0.00 -0.04 0.00 0.00 63.50 62.16 1sdy n PRO 140 Cb 0.00 -1.97 -0.10 0.00 -0.04 0.00 0.00 33.50 31.39 1sdy n PRO 140 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1sdy s ARG 141 N -4.43 2.57 0.51 0.54 0.52 -1.26 -1.47 118.95 115.93 1sdy s ARG 141 Ca 0.64 -2.76 0.18 0.00 -0.52 0.00 0.00 55.73 53.27 1sdy s ARG 141 Cb -0.18 -3.67 1.28 0.00 0.52 0.00 0.00 34.95 32.90 1sdy s ARG 141 CO 0.60 -1.19 2.11 -1.00 0.02 0.00 0.00 175.30 175.85 1sdy h PRO 142 N 6.59 0.00 -2.84 3.54 0.13 -1.78 -3.45 132.00 134.20 1sdy h PRO 142 Ca 0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.11 1sdy h PRO 142 Cb 0.90 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.89 1sdy h PRO 142 CO 0.73 0.06 0.12 0.00 -0.23 0.00 0.00 178.00 178.68 1sdy s ALA 143 N -4.84 -1.46 0.07 -0.56 0.00 -1.22 -3.97 121.76 109.78 1sdy s ALA 143 Ca -0.05 0.57 -0.26 0.00 0.00 0.00 0.00 51.96 52.22 1sdy s ALA 143 Cb 0.16 0.59 0.09 0.00 0.00 0.00 0.00 23.12 23.96 1sdy s ALA 143 CO 0.66 -0.62 0.79 0.00 0.00 0.00 0.00 175.76 176.59 1sdy s GLY 145 N -2.63 -0.36 0.21 0.00 0.00 -0.54 -2.28 107.32 101.72 1sdy s GLY 145 Ca 0.04 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 45.00 1sdy s GLY 145 CO -0.09 0.25 0.96 0.14 0.00 0.00 0.00 173.10 174.36 1sdy s VAL 146 N -2.22 4.12 -0.48 1.40 1.01 -1.26 -0.80 120.40 122.17 1sdy s VAL 146 Ca -0.07 2.04 -0.27 0.00 0.00 0.00 0.00 61.98 63.69 1sdy s VAL 146 Cb -0.01 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 32.10 1sdy s VAL 146 CO -0.00 0.45 1.00 -0.63 0.00 0.00 0.00 175.10 175.92 1sdy s ILE 147 N -0.90 4.37 0.34 2.22 1.01 -0.36 -4.21 121.20 123.68 1sdy s ILE 147 Ca 0.43 0.87 0.09 0.00 0.00 0.00 0.00 60.65 62.04 1sdy s ILE 147 Cb -0.26 -4.51 -0.05 0.00 0.01 0.00 0.00 42.46 37.65 1sdy s ILE 147 CO 0.32 -0.93 0.03 -0.83 0.00 0.00 0.00 174.94 173.54 1sdy s GLY 148 N 2.38 2.05 0.34 6.18 0.00 0.26 -0.33 107.32 118.21 1sdy s GLY 148 Ca 0.40 -1.94 -0.26 0.00 0.00 0.00 0.00 44.72 42.93 1sdy s GLY 148 CO 0.28 -1.88 0.96 1.08 0.00 0.00 0.00 173.10 173.54 1sdy s LEU 149 N -3.74 4.29 0.00 0.66 1.43 -1.26 -1.17 118.68 118.89 1sdy s LEU 149 Ca 0.35 1.86 0.06 0.00 -1.03 0.00 0.00 54.13 55.37 1sdy s LEU 149 Cb -0.00 -4.07 -0.02 0.00 0.03 0.00 0.00 46.19 42.13 1sdy s LEU 149 CO 0.20 -0.14 0.26 1.07 0.23 0.00 0.00 176.35 177.97 1sdy n THR 150 N 0.41 0.00 -0.42 5.49 5.66 -0.99 -4.85 114.28 119.57 1sdy n THR 150 Ca 0.03 -2.13 0.00 0.00 -3.05 0.00 0.00 64.05 58.89 1sdy n THR 150 Cb 0.50 1.08 0.00 0.00 -1.55 0.00 0.00 70.33 70.36 1sdy n THR 150 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82