#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m26 s LYS 2 N 0.00 4.04 0.48 1.61 2.20 0.42 -4.78 119.74 123.71 1m26 s LYS 2 Ca 0.00 0.00 -0.20 0.00 -0.36 0.00 0.00 55.97 55.41 1m26 s LYS 2 Cb 0.00 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 1m26 s LYS 2 CO 0.00 -0.21 1.02 0.00 -0.36 0.00 0.00 175.35 175.81 1m26 s ALA 3 N 1.85 2.90 0.08 3.13 0.00 -1.26 -1.95 121.76 126.51 1m26 s ALA 3 Ca 0.14 0.57 -0.03 0.00 0.00 0.00 0.00 51.96 52.64 1m26 s ALA 3 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1m26 s ALA 3 CO 0.09 -0.24 0.04 -0.59 0.00 0.00 0.00 175.76 175.07 1m26 s PHE 4 N -2.02 0.50 -0.29 0.00 -0.71 -0.50 -4.97 117.98 109.98 1m26 s PHE 4 Ca 0.66 -0.99 0.04 0.00 -1.04 0.00 0.00 56.93 55.61 1m26 s PHE 4 Cb -0.15 -0.32 0.19 0.00 -1.21 0.00 0.00 43.02 41.52 1m26 s PHE 4 CO 0.19 -0.45 0.53 0.34 -1.34 0.00 0.00 175.22 174.49 1m26 s ASP 5 N -2.93 -1.00 0.37 1.98 -1.08 -1.26 -1.33 116.67 111.42 1m26 s ASP 5 Ca 0.10 0.04 0.17 0.00 -0.52 0.00 0.00 52.55 52.34 1m26 s ASP 5 Cb 0.07 1.75 0.69 0.00 -1.46 0.00 0.00 42.92 43.97 1m26 s ASP 5 CO -0.08 -0.32 1.75 0.44 0.52 0.00 0.00 175.17 177.49 1m26 h ASP 6 N 8.05 0.00 -3.24 -0.34 3.32 -1.68 -3.49 116.42 119.04 1m26 h ASP 6 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1m26 h ASP 6 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1m26 h ASP 6 CO 0.19 0.40 0.00 0.61 -1.72 0.00 0.00 179.24 178.71 1m26 n GLY 7 N 0.08 -1.81 3.68 2.75 0.00 -1.26 -4.97 105.19 103.67 1m26 n GLY 7 Ca -0.01 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 1m26 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m26 s ALA 8 N -1.64 3.28 0.00 4.61 0.00 -1.26 -3.98 121.76 122.76 1m26 s ALA 8 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1m26 s ALA 8 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1m26 s ALA 8 CO 0.00 0.66 0.00 1.19 0.00 0.00 0.00 175.76 177.61 1m26 n PHE 9 N 1.25 0.00 0.19 0.00 3.01 0.57 -5.00 117.46 117.47 1m26 n PHE 9 Ca -0.14 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.44 1m26 n PHE 9 Cb 0.52 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.95 1m26 n PHE 9 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1m26 n THR 10 N 0.00 0.34 -3.01 4.37 -1.04 -0.42 -4.86 114.28 109.67 1m26 n THR 10 Ca 0.00 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 1m26 n THR 10 Cb 0.00 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 1m26 n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1m26 n GLY 11 N 1.25 -1.41 3.10 3.41 0.00 -1.18 -4.91 105.19 105.45 1m26 n GLY 11 Ca -0.01 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 1m26 n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1m26 s ILE 12 N -2.86 1.46 -0.12 -0.61 1.01 -1.26 -1.16 121.20 117.66 1m26 s ILE 12 Ca 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 60.05 1m26 s ILE 12 Cb 0.00 -1.29 -0.13 0.00 0.01 0.00 0.00 42.46 41.05 1m26 s ILE 12 CO 0.00 0.43 0.00 0.54 0.00 0.00 0.00 174.94 175.91 1m26 n ARG 13 N 3.62 1.81 -3.65 2.79 1.74 0.25 -4.76 116.66 118.46 1m26 n ARG 13 Ca -0.21 0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 56.74 1m26 n ARG 13 Cb 0.52 -1.28 -0.08 0.00 -1.02 0.00 0.00 32.46 30.60 1m26 n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1m26 s GLU 14 N -2.27 0.77 -0.12 5.56 2.12 -0.67 -1.84 118.70 122.26 1m26 s GLU 14 Ca -0.08 0.54 0.02 0.00 0.36 0.00 0.00 54.97 55.81 1m26 s GLU 14 Cb 0.04 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.81 1m26 s GLU 14 CO 0.43 -0.16 -0.19 0.42 -0.54 0.00 0.00 175.26 175.22 1m26 s ILE 15 N -0.29 1.75 -0.26 -3.70 1.01 -0.24 -0.31 121.20 119.16 1m26 s ILE 15 Ca -0.05 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1m26 s ILE 15 Cb -0.03 -1.57 0.05 0.00 0.01 0.00 0.00 42.46 40.92 1m26 s ILE 15 CO 0.04 0.49 -0.08 0.20 0.00 0.00 0.00 174.94 175.58 1m26 s ASN 16 N 0.82 4.47 0.25 3.58 0.01 0.57 -0.22 114.94 124.41 1m26 s ASN 16 Ca -0.09 -1.27 0.03 0.00 -0.71 0.00 0.00 52.86 50.82 1m26 s ASN 16 Cb -0.16 -1.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.85 1m26 s ASN 16 CO -0.00 -0.19 0.03 -1.48 -1.51 0.00 0.00 177.10 173.95 1m26 s LEU 17 N 1.17 2.04 0.09 0.60 0.05 -0.83 -0.12 118.68 121.67 1m26 s LEU 17 Ca -0.06 -1.29 0.04 0.00 0.05 0.00 0.00 54.13 52.88 1m26 s LEU 17 Cb -0.19 -0.20 -0.03 0.00 -2.05 0.00 0.00 46.19 43.72 1m26 s LEU 17 CO -0.04 -0.59 -0.12 -0.94 -0.55 0.00 0.00 176.35 174.11 1m26 s SER 18 N -3.33 1.55 0.19 1.48 1.04 -0.67 -0.06 113.70 113.90 1m26 s SER 18 Ca 0.32 -0.71 -0.09 0.00 0.48 0.00 0.00 55.95 55.95 1m26 s SER 18 Cb 0.07 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 1m26 s SER 18 CO 0.11 -0.17 0.31 -0.72 0.98 0.00 0.00 173.24 173.75 1m26 s TYR 19 N -1.86 0.51 -0.09 5.02 1.13 -0.33 0.08 117.35 121.81 1m26 s TYR 19 Ca 0.02 -0.85 -0.01 0.00 -1.41 0.00 0.00 57.07 54.81 1m26 s TYR 19 Cb -0.06 -0.07 0.03 0.00 -1.10 0.00 0.00 41.96 40.75 1m26 s TYR 19 CO 0.01 -0.78 -0.01 1.21 -2.51 0.00 0.00 175.55 173.47 1m26 s ASN 20 N -3.01 1.79 0.00 -0.18 3.84 -1.05 0.14 114.94 116.46 1m26 s ASN 20 Ca 0.22 -0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.12 1m26 s ASN 20 Cb 0.03 -0.53 0.01 0.00 -0.55 0.00 0.00 41.25 40.21 1m26 s ASN 20 CO 0.04 -0.19 0.59 2.29 -2.79 0.00 0.00 177.10 177.04 1m26 n LYS 21 N 5.10 0.01 -0.00 0.43 2.85 -1.26 -1.45 118.16 123.83 1m26 n LYS 21 Ca -0.08 0.08 0.04 0.00 -1.05 0.00 0.00 58.31 57.29 1m26 n LYS 21 Cb 0.50 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.32 1m26 n LYS 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1m26 n GLU 22 N -1.08 0.46 0.00 -1.58 -0.58 -1.26 -4.68 120.64 111.92 1m26 n GLU 22 Ca 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1m26 n GLU 22 Cb 0.00 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1m26 n GLU 22 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1m26 n THR 23 N -1.74 0.00 -2.99 2.62 -2.24 -0.53 -5.04 114.28 104.36 1m26 n THR 23 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1m26 n THR 23 Cb 0.20 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1m26 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m26 n ALA 24 N -3.00 0.00 -1.80 6.98 0.00 -1.22 -4.56 120.51 116.90 1m26 n ALA 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1m26 n ALA 24 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1m26 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1m26 s ILE 25 N -3.00 3.32 0.00 0.00 -1.09 -0.92 -2.53 121.20 116.99 1m26 s ILE 25 Ca 0.00 1.30 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1m26 s ILE 25 Cb 0.00 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1m26 s ILE 25 CO 0.00 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1m26 n GLY 26 N 1.25 0.27 3.81 6.18 0.00 0.11 -1.05 105.19 115.75 1m26 n GLY 26 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1m26 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1m26 s ASP 27 N -0.12 6.01 -0.16 1.61 1.01 -1.25 -4.31 116.67 119.46 1m26 s ASP 27 Ca 0.00 1.80 -0.06 0.00 0.71 0.00 0.00 52.55 55.00 1m26 s ASP 27 Cb 0.00 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.47 1m26 s ASP 27 CO 0.00 -1.01 0.35 0.12 0.21 0.00 0.00 175.17 174.84 1m26 s PHE 28 N -2.39 -0.61 -0.02 4.23 5.36 -0.42 -1.68 117.98 122.46 1m26 s PHE 28 Ca 0.64 1.25 -0.05 0.00 -0.96 0.00 0.00 56.93 57.80 1m26 s PHE 28 Cb -0.15 0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.69 1m26 s PHE 28 CO 0.33 -0.40 0.11 -1.14 -1.46 0.00 0.00 175.22 172.66 1m26 s GLN 29 N 2.31 0.31 -0.02 10.12 -0.44 0.83 -1.81 119.66 130.96 1m26 s GLN 29 Ca -0.02 -0.17 0.02 0.00 -2.50 0.00 0.00 55.36 52.70 1m26 s GLN 29 Cb -0.11 0.13 -0.00 0.00 -1.64 0.00 0.00 33.01 31.39 1m26 s GLN 29 CO -0.11 -0.06 -0.08 0.08 0.50 0.00 0.00 175.29 175.62 1m26 s VAL 30 N -0.74 0.67 -0.43 1.34 1.01 -1.26 -0.32 120.40 120.68 1m26 s VAL 30 Ca -0.08 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1m26 s VAL 30 Cb -0.05 -0.59 0.06 0.00 0.00 0.00 0.00 36.38 35.80 1m26 s VAL 30 CO 0.01 0.21 0.30 -0.69 0.00 0.00 0.00 175.10 174.92 1m26 s VAL 31 N 0.05 4.78 0.70 2.92 1.01 0.58 -1.04 120.40 129.40 1m26 s VAL 31 Ca -0.01 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 1m26 s VAL 31 Cb -0.06 -3.81 0.10 0.00 0.00 0.00 0.00 36.38 32.61 1m26 s VAL 31 CO -0.00 -0.45 0.98 -0.31 0.00 0.00 0.00 175.10 175.32 1m26 s TYR 32 N 1.56 2.11 -0.11 5.22 1.51 0.07 -0.59 117.35 127.12 1m26 s TYR 32 Ca 0.03 -0.04 -0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1m26 s TYR 32 Cb -0.22 -3.08 -0.03 0.00 -0.11 0.00 0.00 41.96 38.52 1m26 s TYR 32 CO 0.06 -1.55 -0.02 0.34 -1.11 0.00 0.00 175.55 173.26 1m26 s ASP 33 N -4.64 5.03 -0.39 2.29 2.15 -0.31 0.15 116.67 120.95 1m26 s ASP 33 Ca 0.64 0.03 0.02 0.00 0.43 0.00 0.00 52.55 53.68 1m26 s ASP 33 Cb -0.07 -1.54 0.11 0.00 -0.30 0.00 0.00 42.92 41.13 1m26 s ASP 33 CO 0.44 0.30 0.15 -0.22 -0.17 0.00 0.00 175.17 175.67 1m26 s LEU 34 N -0.44 3.58 -1.48 -1.34 2.96 0.13 -1.30 118.68 120.79 1m26 s LEU 34 Ca 0.07 -2.33 -0.06 0.00 -0.22 0.00 0.00 54.13 51.59 1m26 s LEU 34 Cb -0.12 -1.31 0.05 0.00 0.50 0.00 0.00 46.19 45.31 1m26 s LEU 34 CO 0.02 -0.33 0.61 0.59 -1.32 0.00 0.00 176.35 175.92 1m26 n ASN 35 N 3.98 -1.70 0.00 3.68 5.03 -1.26 -1.68 115.26 123.30 1m26 n ASN 35 Ca 0.04 -0.96 0.00 0.00 0.87 0.00 0.00 54.58 54.53 1m26 n ASN 35 Cb 0.38 -3.22 0.00 0.00 -1.02 0.00 0.00 39.78 35.92 1m26 n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1m26 n GLY 36 N -1.77 1.03 3.52 7.41 0.00 -1.26 -5.06 105.19 109.05 1m26 n GLY 36 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1m26 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m26 s SER 37 N -1.85 4.23 0.27 1.61 0.01 -0.68 -5.09 113.70 112.19 1m26 s SER 37 Ca 0.00 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 1m26 s SER 37 Cb 0.00 -0.93 -0.10 0.00 0.21 0.00 0.00 66.02 65.20 1m26 s SER 37 CO 0.00 0.33 1.38 -2.84 0.41 0.00 0.00 173.24 172.52 1m26 s PRO 38 N -0.91 4.31 -0.24 12.44 0.02 -1.26 0.17 135.00 149.53 1m26 s PRO 38 Ca 0.13 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.39 1m26 s PRO 38 Cb -0.11 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 31.34 1m26 s PRO 38 CO 0.02 -0.32 -0.11 -0.47 -0.33 0.00 0.00 177.00 175.79 1m26 s TYR 39 N -0.33 3.06 -0.62 6.54 6.14 0.12 -4.81 117.35 127.45 1m26 s TYR 39 Ca 0.56 -1.80 -0.27 0.00 0.64 0.00 0.00 57.07 56.19 1m26 s TYR 39 Cb -0.40 -1.99 0.03 0.00 0.42 0.00 0.00 41.96 40.02 1m26 s TYR 39 CO 0.45 -0.79 1.19 0.08 0.64 0.00 0.00 175.55 177.12 1m26 s VAL 40 N 1.25 3.98 0.70 3.14 1.01 -1.26 -0.75 120.40 128.47 1m26 s VAL 40 Ca -0.01 0.67 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 1m26 s VAL 40 Cb -0.17 -4.76 0.02 0.00 0.00 0.00 0.00 36.38 31.47 1m26 s VAL 40 CO -0.07 -1.47 1.08 -0.83 0.00 0.00 0.00 175.10 173.82 1m26 s GLY 41 N 3.18 1.85 0.46 4.51 0.00 -0.20 -4.98 107.32 112.14 1m26 s GLY 41 Ca 0.39 0.31 -0.24 0.00 0.00 0.00 0.00 44.72 45.18 1m26 s GLY 41 CO 0.22 0.64 1.31 1.62 0.00 0.00 0.00 173.10 176.89 1m26 s GLN 42 N -4.64 3.65 -0.40 2.90 0.74 -1.26 -4.60 119.66 116.05 1m26 s GLN 42 Ca 0.62 2.14 -0.25 0.00 0.05 0.00 0.00 55.36 57.92 1m26 s GLN 42 Cb -0.17 -2.53 0.02 0.00 1.10 0.00 0.00 33.01 31.43 1m26 s GLN 42 CO 0.50 -0.75 0.88 1.21 -0.55 0.00 0.00 175.29 176.58 1m26 s ASN 43 N -0.89 6.59 -0.56 6.67 2.47 -1.26 -4.52 114.94 123.43 1m26 s ASN 43 Ca 0.63 0.37 -0.22 0.00 0.42 0.00 0.00 52.86 54.06 1m26 s ASN 43 Cb -0.38 -2.44 0.05 0.00 -1.45 0.00 0.00 41.25 37.04 1m26 s ASN 43 CO 0.47 -0.88 0.86 -1.00 -3.72 0.00 0.00 177.10 172.82 1m26 s HIS 44 N 3.45 2.84 0.20 0.43 3.76 -0.75 -4.99 115.29 120.23 1m26 s HIS 44 Ca 0.36 -0.27 0.01 0.00 -0.15 0.00 0.00 55.06 55.01 1m26 s HIS 44 Cb -0.12 -3.97 -0.04 0.00 1.11 0.00 0.00 32.58 29.57 1m26 s HIS 44 CO 0.20 -1.32 0.37 0.15 -0.85 0.00 0.00 174.74 173.29 1m26 s LYS 45 N 3.59 3.48 0.64 1.40 -0.14 -1.26 -1.30 119.74 126.15 1m26 s LYS 45 Ca 0.24 -0.47 -0.13 0.00 -1.36 0.00 0.00 55.97 54.25 1m26 s LYS 45 Cb -0.15 -2.87 -0.02 0.00 -1.68 0.00 0.00 37.83 33.11 1m26 s LYS 45 CO 0.15 0.42 1.06 0.45 -0.76 0.00 0.00 175.35 176.67 1m26 s SER 46 N -3.36 5.60 0.37 2.83 0.15 -1.26 -4.84 113.70 113.20 1m26 s SER 46 Ca 0.37 1.72 0.27 0.00 0.70 0.00 0.00 55.95 59.02 1m26 s SER 46 Cb -0.11 -2.52 1.01 0.00 -1.71 0.00 0.00 66.02 62.70 1m26 s SER 46 CO 0.29 -1.29 1.80 -0.26 1.20 0.00 0.00 173.24 174.99 1m26 h PHE 47 N -0.08 0.00 -1.19 3.44 0.04 -1.31 -3.45 116.94 114.38 1m26 h PHE 47 Ca -0.45 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 59.67 1m26 h PHE 47 Cb 1.21 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.23 1m26 h PHE 47 CO 0.60 0.00 -0.56 0.96 -0.60 0.00 0.00 178.31 178.71 1m26 s ILE 48 N -3.39 1.61 0.06 -0.55 -4.36 -1.26 -5.04 121.20 108.27 1m26 s ILE 48 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1m26 s ILE 48 Cb 0.09 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 41.16 1m26 s ILE 48 CO 0.51 0.00 0.01 0.35 0.24 0.00 0.00 174.94 176.05 1m26 n THR 49 N -1.08 0.00 -0.07 8.37 -2.24 -1.26 -4.88 114.28 113.11 1m26 n THR 49 Ca -0.11 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1m26 n THR 49 Cb 0.67 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1m26 n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1m26 n GLY 50 N 4.27 0.96 3.90 3.38 0.00 -1.26 -5.09 105.19 111.35 1m26 n GLY 50 Ca -0.02 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1m26 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1m26 s PHE 51 N -2.00 3.47 -0.23 1.61 0.08 -1.26 -4.87 117.98 114.78 1m26 s PHE 51 Ca 0.00 0.68 -0.15 0.00 0.12 0.00 0.00 56.93 57.58 1m26 s PHE 51 Cb 0.00 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 1m26 s PHE 51 CO 0.00 0.17 0.37 0.99 -0.10 0.00 0.00 175.22 176.65 1m26 s THR 52 N -2.06 5.20 0.41 0.64 2.01 0.12 -4.84 115.64 117.13 1m26 s THR 52 Ca 0.45 0.61 -0.19 0.00 0.31 0.00 0.00 61.69 62.86 1m26 s THR 52 Cb -0.11 -3.70 -0.10 0.00 0.01 0.00 0.00 72.50 68.60 1m26 s THR 52 CO 0.29 0.22 0.90 -2.16 -0.69 0.00 0.00 174.62 173.18 1m26 s PRO 53 N 1.57 4.15 -0.01 4.92 0.04 -1.26 -1.19 135.00 143.22 1m26 s PRO 53 Ca 0.16 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.21 1m26 s PRO 53 Cb -0.15 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1m26 s PRO 53 CO 0.08 0.00 -0.03 0.08 0.04 0.00 0.00 177.00 177.18 1m26 s VAL 54 N -2.16 0.27 -0.19 -0.36 1.01 0.91 -4.97 120.40 114.91 1m26 s VAL 54 Ca 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.46 1m26 s VAL 54 Cb -0.09 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.05 1m26 s VAL 54 CO 0.15 0.09 -0.16 -0.75 0.00 0.00 0.00 175.10 174.43 1m26 s LYS 55 N 0.11 3.05 -0.51 2.72 2.20 -1.26 -1.97 119.74 124.08 1m26 s LYS 55 Ca -0.01 -0.80 -0.10 0.00 -0.36 0.00 0.00 55.97 54.71 1m26 s LYS 55 Cb -0.04 -2.69 0.13 0.00 -1.51 0.00 0.00 37.83 33.73 1m26 s LYS 55 CO -0.00 -0.22 0.39 0.42 -0.36 0.00 0.00 175.35 175.58 1m26 s ILE 56 N 1.33 4.36 -0.48 5.43 1.01 0.69 -4.99 121.20 128.56 1m26 s ILE 56 Ca 0.05 -1.88 -0.17 0.00 0.00 0.00 0.00 60.65 58.65 1m26 s ILE 56 Cb -0.14 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.54 1m26 s ILE 56 CO -0.10 -0.81 0.47 -0.44 0.00 0.00 0.00 174.94 174.06 1m26 s SER 57 N 2.61 6.18 0.29 3.58 0.01 -1.26 -1.08 113.70 124.03 1m26 s SER 57 Ca 0.07 -1.10 -0.18 0.00 1.31 0.00 0.00 55.95 56.05 1m26 s SER 57 Cb -0.25 -2.22 -0.09 0.00 0.21 0.00 0.00 66.02 63.67 1m26 s SER 57 CO -0.01 -0.71 0.76 -0.76 0.41 0.00 0.00 173.24 172.93 1m26 s LEU 58 N 2.02 4.17 -1.48 2.44 1.43 -0.76 -4.97 118.68 121.54 1m26 s LEU 58 Ca 0.09 1.39 -0.10 0.00 -1.03 0.00 0.00 54.13 54.47 1m26 s LEU 58 Cb -0.22 -3.92 0.02 0.00 0.03 0.00 0.00 46.19 42.10 1m26 s LEU 58 CO 0.09 -0.12 2.48 -0.67 0.23 0.00 0.00 176.35 178.37 1m26 n ASP 59 N 0.08 6.58 -4.75 2.29 2.03 -1.26 -4.85 116.55 116.66 1m26 n ASP 59 Ca 0.01 -2.83 -0.41 0.00 0.52 0.00 0.00 54.79 52.08 1m26 n ASP 59 Cb 0.52 -1.55 -0.02 0.00 -0.72 0.00 0.00 41.12 39.36 1m26 n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1m26 s PHE 60 N 1.70 2.77 -0.18 -0.67 5.36 -1.26 -1.25 117.98 124.45 1m26 s PHE 60 Ca 0.56 0.83 0.16 0.00 -0.96 0.00 0.00 56.93 57.52 1m26 s PHE 60 Cb 0.16 -4.04 0.06 0.00 -0.34 0.00 0.00 43.02 38.86 1m26 s PHE 60 CO -0.07 -3.46 1.38 -1.00 -1.46 0.00 0.00 175.22 170.61 1m26 h PRO 61 N 4.74 0.00 -0.08 10.12 0.14 -1.95 -3.46 132.00 141.50 1m26 h PRO 61 Ca -0.47 0.00 -0.09 0.00 0.14 0.00 0.00 66.00 65.57 1m26 h PRO 61 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.35 1m26 h PRO 61 CO 0.78 0.42 -0.38 0.66 0.14 0.00 0.00 178.00 179.63 1m26 h SER 62 N 0.00 0.17 -3.18 1.44 4.64 -1.87 -3.43 113.55 111.32 1m26 h SER 62 Ca -0.02 -0.06 -0.63 0.00 -0.47 0.00 0.00 61.79 60.60 1m26 h SER 62 Cb 1.37 -0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 63.27 1m26 h SER 62 CO 0.06 0.54 -0.55 -0.70 -0.87 0.00 0.00 176.83 175.30 1m26 s GLU 63 N -4.20 3.73 0.03 4.77 2.12 -0.38 -4.94 118.70 119.83 1m26 s GLU 63 Ca -0.04 -0.31 -0.14 0.00 0.36 0.00 0.00 54.97 54.85 1m26 s GLU 63 Cb 0.14 -3.15 0.02 0.00 0.26 0.00 0.00 34.13 31.40 1m26 s GLU 63 CO 0.75 0.44 0.29 1.52 -0.54 0.00 0.00 175.26 177.72 1m26 s TYR 64 N -0.09 -0.11 0.13 5.30 1.13 -1.26 -4.29 117.35 118.16 1m26 s TYR 64 Ca 0.07 0.03 -0.31 0.00 -1.41 0.00 0.00 57.07 55.45 1m26 s TYR 64 Cb -0.12 0.08 -0.08 0.00 -1.10 0.00 0.00 41.96 40.74 1m26 s TYR 64 CO 0.01 -0.46 1.34 0.42 -2.51 0.00 0.00 175.55 174.35 1m26 s ILE 65 N -2.18 3.37 -0.12 -3.49 1.01 -1.26 -2.74 121.20 115.80 1m26 s ILE 65 Ca -0.08 1.03 0.08 0.00 0.00 0.00 0.00 60.65 61.68 1m26 s ILE 65 Cb -0.02 -3.66 -0.12 0.00 0.01 0.00 0.00 42.46 38.68 1m26 s ILE 65 CO -0.01 0.10 0.23 0.23 0.00 0.00 0.00 174.94 175.49 1m26 n MET 66 N 3.54 1.49 -3.65 2.79 2.81 0.15 -4.73 117.12 119.51 1m26 n MET 66 Ca 0.09 -0.05 -0.10 0.00 -1.81 0.00 0.00 57.70 55.83 1m26 n MET 66 Cb 0.43 -1.10 -0.08 0.00 -0.71 0.00 0.00 33.22 31.76 1m26 n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1m26 s GLU 67 N -2.32 0.69 -0.11 0.03 2.12 -0.93 -0.68 118.70 117.50 1m26 s GLU 67 Ca -0.01 1.04 0.03 0.00 0.36 0.00 0.00 54.97 56.39 1m26 s GLU 67 Cb 0.05 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.65 1m26 s GLU 67 CO 0.34 -0.13 -0.20 0.08 -0.54 0.00 0.00 175.26 174.81 1m26 s VAL 68 N 1.09 2.43 0.16 3.70 1.01 -0.80 -0.97 120.40 127.03 1m26 s VAL 68 Ca -0.06 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1m26 s VAL 68 Cb -0.05 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1m26 s VAL 68 CO -0.11 0.55 0.16 -0.94 0.00 0.00 0.00 175.10 174.76 1m26 s SER 69 N 0.27 0.18 0.00 3.32 1.04 -0.62 0.36 113.70 118.25 1m26 s SER 69 Ca -0.14 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.16 1m26 s SER 69 Cb -0.17 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1m26 s SER 69 CO 0.07 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1m26 n GLY 70 N -0.18 0.55 3.10 7.32 0.00 -0.45 -0.05 105.19 115.48 1m26 n GLY 70 Ca -0.04 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 1m26 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1m26 s TYR 71 N -2.44 1.18 -0.04 1.61 1.51 -0.94 -0.87 117.35 117.36 1m26 s TYR 71 Ca 0.00 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.87 1m26 s TYR 71 Cb 0.00 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 41.07 1m26 s TYR 71 CO 0.00 -0.01 -0.16 0.95 -1.11 0.00 0.00 175.55 175.22 1m26 s THR 72 N -0.37 2.94 0.39 -0.71 -4.23 -0.33 -0.63 115.64 112.69 1m26 s THR 72 Ca 0.05 -0.81 -0.16 0.00 -1.18 0.00 0.00 61.69 59.59 1m26 s THR 72 Cb -0.05 -2.15 0.06 0.00 1.34 0.00 0.00 72.50 71.69 1m26 s THR 72 CO -0.00 0.56 0.80 -0.83 -0.54 0.00 0.00 174.62 174.60 1m26 s GLY 73 N -0.81 0.38 -0.20 3.99 0.00 -0.54 -1.01 107.32 109.13 1m26 s GLY 73 Ca 0.12 -0.76 -0.17 0.00 0.00 0.00 0.00 44.72 43.91 1m26 s GLY 73 CO 0.01 -0.28 0.44 0.21 0.00 0.00 0.00 173.10 173.47 1m26 s ASN 74 N -3.08 6.47 -0.18 1.64 2.47 -1.26 -1.10 114.94 119.91 1m26 s ASN 74 Ca 0.16 0.56 -0.01 0.00 0.42 0.00 0.00 52.86 53.98 1m26 s ASN 74 Cb -0.05 -2.25 0.05 0.00 -1.45 0.00 0.00 41.25 37.55 1m26 s ASN 74 CO 0.11 -0.12 -0.01 -0.69 -3.72 0.00 0.00 177.10 172.68 1m26 s VAL 75 N 1.45 0.90 -1.49 -5.21 1.01 0.10 -4.80 120.40 112.36 1m26 s VAL 75 Ca 0.21 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1m26 s VAL 75 Cb -0.15 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1m26 s VAL 75 CO 0.09 -0.04 0.27 -1.20 0.00 0.00 0.00 175.10 174.22 1m26 n SER 76 N 4.93 -5.28 0.00 3.32 7.64 -1.26 -1.84 113.62 121.13 1m26 n SER 76 Ca -0.10 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1m26 n SER 76 Cb 0.47 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.32 1m26 n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m26 n GLY 77 N -1.17 0.58 3.45 0.23 0.00 -1.26 -5.07 105.19 101.96 1m26 n GLY 77 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1m26 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1m26 s TYR 78 N -2.31 2.56 -0.30 1.61 2.02 -0.77 -5.09 117.35 115.07 1m26 s TYR 78 Ca 0.00 -0.26 -0.21 0.00 -0.37 0.00 0.00 57.07 56.23 1m26 s TYR 78 Cb 0.00 -1.48 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 1m26 s TYR 78 CO 0.00 0.24 0.66 0.08 -1.57 0.00 0.00 175.55 174.96 1m26 s VAL 79 N -0.90 4.92 0.23 0.71 1.01 -1.26 0.03 120.40 125.14 1m26 s VAL 79 Ca 0.14 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1m26 s VAL 79 Cb -0.10 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1m26 s VAL 79 CO 0.05 -0.14 0.15 0.68 0.00 0.00 0.00 175.10 175.84 1m26 s VAL 80 N 2.66 0.04 -0.42 2.92 -7.23 -0.26 -4.78 120.40 113.34 1m26 s VAL 80 Ca 0.27 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.18 1m26 s VAL 80 Cb -0.15 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.31 1m26 s VAL 80 CO 0.11 0.00 0.95 -0.69 -0.31 0.00 0.00 175.10 175.16 1m26 s VAL 81 N -4.01 4.49 -0.08 1.32 1.01 0.35 -1.47 120.40 122.02 1m26 s VAL 81 Ca 0.39 0.99 0.15 0.00 0.00 0.00 0.00 61.98 63.50 1m26 s VAL 81 Cb 0.06 -4.41 -0.16 0.00 0.00 0.00 0.00 36.38 31.88 1m26 s VAL 81 CO 0.15 -0.73 0.85 0.03 0.00 0.00 0.00 175.10 175.40 1m26 h ARG 82 N 8.84 0.00 -3.82 2.72 3.08 -1.16 -2.43 114.38 121.61 1m26 h ARG 82 Ca -0.24 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.68 1m26 h ARG 82 Cb 1.08 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.94 1m26 h ARG 82 CO 1.02 0.42 -0.54 0.45 -1.07 0.00 0.00 179.97 180.25 1m26 s SER 83 N -6.00 0.19 -0.07 7.04 0.15 -1.12 -0.98 113.70 112.91 1m26 s SER 83 Ca -0.03 -0.53 -0.08 0.00 0.70 0.00 0.00 55.95 56.01 1m26 s SER 83 Cb 0.08 0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1m26 s SER 83 CO 0.81 -0.48 0.22 -0.76 1.20 0.00 0.00 173.24 174.23 1m26 s LEU 84 N -2.05 1.17 -0.02 3.45 1.43 -0.72 -2.22 118.68 119.72 1m26 s LEU 84 Ca -0.06 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1m26 s LEU 84 Cb -0.02 0.79 0.02 0.00 0.03 0.00 0.00 46.19 47.01 1m26 s LEU 84 CO -0.04 -0.13 -0.00 -0.89 0.23 0.00 0.00 176.35 175.51 1m26 s THR 85 N -0.15 0.12 -0.15 5.49 2.01 0.93 -1.06 115.64 122.83 1m26 s THR 85 Ca -0.03 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.03 1m26 s THR 85 Cb -0.03 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.30 1m26 s THR 85 CO 0.01 0.10 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.50 1m26 s PHE 86 N 0.64 2.76 -0.15 4.92 0.40 -0.17 -1.59 117.98 124.79 1m26 s PHE 86 Ca -0.06 -1.15 -0.02 0.00 -0.60 0.00 0.00 56.93 55.10 1m26 s PHE 86 Cb -0.09 -1.88 -0.02 0.00 0.51 0.00 0.00 43.02 41.55 1m26 s PHE 86 CO -0.01 -0.53 -0.08 0.21 0.70 0.00 0.00 175.22 175.51 1m26 s LYS 87 N 0.86 3.52 0.24 0.44 2.20 -0.14 0.63 119.74 127.49 1m26 s LYS 87 Ca -0.05 -0.60 0.02 0.00 -0.36 0.00 0.00 55.97 54.97 1m26 s LYS 87 Cb -0.15 -2.80 0.02 0.00 -1.51 0.00 0.00 37.83 33.39 1m26 s LYS 87 CO -0.01 0.19 0.13 0.25 -0.36 0.00 0.00 175.35 175.54 1m26 n THR 88 N 3.64 0.00 1.43 3.43 -2.24 0.20 0.34 114.28 121.07 1m26 n THR 88 Ca -0.18 -1.03 0.14 0.00 -2.27 0.00 0.00 64.05 60.72 1m26 n THR 88 Cb 0.52 -0.12 0.75 0.00 -2.10 0.00 0.00 70.33 69.38 1m26 n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1m26 n ASN 89 N -1.67 0.00 -0.02 3.42 6.94 -1.11 -4.01 115.26 118.81 1m26 n ASN 89 Ca -0.04 -0.21 -0.03 0.00 -0.02 0.00 0.00 54.58 54.29 1m26 n ASN 89 Cb 0.29 -0.26 -0.02 0.00 -2.36 0.00 0.00 39.78 37.43 1m26 n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1m26 n LYS 90 N -1.26 0.65 -4.08 -3.83 5.02 -1.26 -5.07 118.16 108.33 1m26 n LYS 90 Ca 0.15 0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.33 1m26 n LYS 90 Cb 0.22 -1.09 -0.05 0.00 -0.02 0.00 0.00 35.03 34.09 1m26 n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1m26 s LYS 91 N -2.09 1.67 -0.18 1.97 1.02 -1.26 -5.14 119.74 115.73 1m26 s LYS 91 Ca -0.05 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.38 1m26 s LYS 91 Cb 0.01 0.42 0.02 0.00 -0.52 0.00 0.00 37.83 37.76 1m26 s LYS 91 CO 0.11 -0.67 -0.18 0.99 -0.92 0.00 0.00 175.35 174.67 1m26 s THR 92 N -3.57 2.22 -0.35 2.17 2.01 -1.26 -0.63 115.64 116.23 1m26 s THR 92 Ca 0.29 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 61.29 1m26 s THR 92 Cb 0.01 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.58 1m26 s THR 92 CO 0.15 0.53 0.21 -0.31 -0.69 0.00 0.00 174.62 174.51 1m26 s TYR 93 N 1.30 3.22 0.00 4.92 1.51 0.20 -4.97 117.35 123.53 1m26 s TYR 93 Ca 0.05 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1m26 s TYR 93 Cb -0.13 -2.44 0.00 0.00 -0.11 0.00 0.00 41.96 39.28 1m26 s TYR 93 CO -0.12 -0.51 0.00 0.41 -1.11 0.00 0.00 175.55 174.22 1m26 n GLY 94 N 5.04 -0.01 3.76 0.71 0.00 -1.26 -0.99 105.19 112.44 1m26 n GLY 94 Ca -0.13 -2.24 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 1m26 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1m26 s PRO 95 N 0.00 4.24 -0.16 1.61 0.04 -1.26 -4.99 135.00 134.48 1m26 s PRO 95 Ca 0.00 2.37 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 1m26 s PRO 95 Cb 0.00 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.48 1m26 s PRO 95 CO 0.00 -0.38 -0.11 0.71 0.04 0.00 0.00 177.00 177.26 1m26 s TYR 96 N -0.76 2.86 0.00 0.56 2.02 -0.22 -4.95 117.35 116.86 1m26 s TYR 96 Ca 0.54 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1m26 s TYR 96 Cb -0.43 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 1m26 s TYR 96 CO 0.53 -0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.58 1m26 n GLY 97 N 3.96 -0.03 3.41 0.71 0.00 -1.26 -1.76 105.19 110.23 1m26 n GLY 97 Ca -0.18 -2.03 -0.37 0.00 0.00 0.00 0.00 46.02 43.44 1m26 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m26 s VAL 98 N 0.00 4.26 -1.47 1.61 1.01 -0.15 -4.75 120.40 120.91 1m26 s VAL 98 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 1m26 s VAL 98 Cb 0.00 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.32 1m26 s VAL 98 CO 0.00 0.22 2.39 0.35 0.00 0.00 0.00 175.10 178.05 1m26 n THR 99 N 4.92 3.92 -4.02 3.92 -2.24 -1.26 -3.80 114.28 115.72 1m26 n THR 99 Ca -0.15 -3.17 -0.14 0.00 -2.27 0.00 0.00 64.05 58.32 1m26 n THR 99 Cb 0.50 -2.54 -0.14 0.00 -2.10 0.00 0.00 70.33 66.05 1m26 n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1m26 s SER 100 N 2.42 0.33 0.00 3.42 0.15 -1.26 -5.09 113.70 113.67 1m26 s SER 100 Ca 0.53 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1m26 s SER 100 Cb 0.15 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1m26 s SER 100 CO -0.07 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1m26 n GLY 101 N 2.94 0.07 3.36 9.45 0.00 -1.26 -4.46 105.19 115.29 1m26 n GLY 101 Ca -0.13 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 1m26 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m26 s THR 102 N 0.00 3.78 0.59 2.61 2.01 -0.18 -4.90 115.64 119.56 1m26 s THR 102 Ca 0.00 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.42 1m26 s THR 102 Cb 0.00 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 1m26 s THR 102 CO 0.00 0.33 1.05 -2.16 -0.69 0.00 0.00 174.62 173.15 1m26 s PRO 103 N 1.53 3.34 0.07 4.92 0.04 -1.26 -1.19 135.00 142.44 1m26 s PRO 103 Ca 0.05 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.20 1m26 s PRO 103 Cb -0.15 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1m26 s PRO 103 CO 0.00 -0.79 0.11 -0.59 0.04 0.00 0.00 177.00 175.78 1m26 s PHE 104 N -2.51 0.25 -0.16 0.56 -0.12 -0.05 -4.92 117.98 111.04 1m26 s PHE 104 Ca 0.63 -0.68 -0.29 0.00 -0.05 0.00 0.00 56.93 56.54 1m26 s PHE 104 Cb -0.15 -0.16 0.09 0.00 -0.63 0.00 0.00 43.02 42.17 1m26 s PHE 104 CO 0.38 -0.46 0.81 0.54 -0.05 0.00 0.00 175.22 176.44 1m26 s ASN 105 N -2.69 -0.58 -0.34 1.98 4.22 -1.26 -1.34 114.94 114.92 1m26 s ASN 105 Ca 0.03 0.83 0.01 0.00 -2.14 0.00 0.00 52.86 51.59 1m26 s ASN 105 Cb 0.04 0.74 0.11 0.00 1.28 0.00 0.00 41.25 43.42 1m26 s ASN 105 CO -0.09 -0.40 0.12 -0.22 -2.04 0.00 0.00 177.10 174.46 1m26 s LEU 106 N -0.62 2.84 0.23 3.54 2.96 0.16 -4.98 118.68 122.81 1m26 s LEU 106 Ca -0.04 -1.95 -0.16 0.00 -0.22 0.00 0.00 54.13 51.76 1m26 s LEU 106 Cb -0.02 -1.06 -0.08 0.00 0.50 0.00 0.00 46.19 45.54 1m26 s LEU 106 CO 0.04 -0.38 0.66 -2.84 -1.32 0.00 0.00 176.35 172.51 1m26 s PRO 107 N 1.21 4.05 -0.14 0.98 0.02 -1.26 -1.91 135.00 137.94 1m26 s PRO 107 Ca 0.12 0.64 0.02 0.00 0.02 0.00 0.00 61.00 61.79 1m26 s PRO 107 Cb -0.19 -2.74 0.02 0.00 0.02 0.00 0.00 34.50 31.61 1m26 s PRO 107 CO -0.17 0.34 -0.18 0.42 -0.33 0.00 0.00 177.00 177.08 1m26 s ILE 108 N -1.68 1.80 -0.03 2.83 1.01 0.15 -4.98 121.20 120.30 1m26 s ILE 108 Ca 0.45 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1m26 s ILE 108 Cb -0.14 -1.63 -0.26 0.00 0.01 0.00 0.00 42.46 40.44 1m26 s ILE 108 CO 0.20 0.50 0.70 -0.33 0.00 0.00 0.00 174.94 176.01 1m26 h GLU 109 N 7.61 0.17 -2.84 2.79 5.08 -1.98 -3.46 114.58 121.94 1m26 h GLU 109 Ca -0.36 -0.29 -0.16 0.00 -1.00 0.00 0.00 59.36 57.56 1m26 h GLU 109 Cb 1.17 0.11 -0.29 0.00 0.50 0.00 0.00 28.75 30.24 1m26 h GLU 109 CO 0.55 0.95 -0.41 1.21 -1.00 0.00 0.00 179.01 180.31 1m26 s ASN 110 N -6.72 -0.33 0.00 1.42 3.04 -1.26 -5.13 114.94 105.96 1m26 s ASN 110 Ca -0.10 0.70 0.00 0.00 0.04 0.00 0.00 52.86 53.49 1m26 s ASN 110 Cb 0.07 0.61 0.00 0.00 -1.54 0.00 0.00 41.25 40.39 1m26 s ASN 110 CO 0.82 -0.18 0.00 0.61 -3.04 0.00 0.00 177.10 175.31 1m26 n GLY 111 N 4.35 1.53 3.03 1.21 0.00 -1.26 -5.00 105.19 109.05 1m26 n GLY 111 Ca -0.23 -2.17 -0.11 0.00 0.00 0.00 0.00 46.02 43.50 1m26 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m26 s LEU 112 N 0.00 2.24 -0.15 0.99 1.43 0.12 -4.96 118.68 118.35 1m26 s LEU 112 Ca 0.00 -0.52 -0.25 0.00 -1.03 0.00 0.00 54.13 52.33 1m26 s LEU 112 Cb 0.00 -0.06 -0.02 0.00 0.03 0.00 0.00 46.19 46.14 1m26 s LEU 112 CO 0.00 -0.24 0.81 -0.63 0.23 0.00 0.00 176.35 176.52 1m26 s ILE 113 N -1.38 4.91 -0.04 -0.59 1.01 -1.26 -1.28 121.20 122.57 1m26 s ILE 113 Ca -0.12 1.59 0.06 0.00 0.00 0.00 0.00 60.65 62.18 1m26 s ILE 113 Cb -0.10 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.34 1m26 s ILE 113 CO -0.00 0.07 1.00 1.33 0.00 0.00 0.00 174.94 177.33 1m26 n VAL 114 N 4.57 1.11 0.00 2.92 0.24 -0.32 -4.54 118.33 122.31 1m26 n VAL 114 Ca 0.03 -1.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 1m26 n VAL 114 Cb 0.49 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 1m26 n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1m26 n GLY 115 N -0.71 0.97 3.07 7.63 0.00 -1.25 -0.32 105.19 114.59 1m26 n GLY 115 Ca 0.05 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1m26 n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1m26 s PHE 116 N -2.00 0.64 0.05 1.61 0.08 -1.26 -1.69 117.98 115.42 1m26 s PHE 116 Ca 0.00 -0.64 -0.12 0.00 0.12 0.00 0.00 56.93 56.29 1m26 s PHE 116 Cb 0.00 -0.39 0.01 0.00 -0.57 0.00 0.00 43.02 42.07 1m26 s PHE 116 CO 0.00 -0.14 0.27 -1.59 -0.10 0.00 0.00 175.22 173.66 1m26 s LYS 117 N -2.25 0.80 0.00 0.44 -2.85 -1.02 -1.52 119.74 113.34 1m26 s LYS 117 Ca -0.05 -0.60 0.00 0.00 -1.00 0.00 0.00 55.97 54.32 1m26 s LYS 117 Cb -0.05 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1m26 s LYS 117 CO -0.02 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.59 1m26 n GLY 118 N 0.48 -0.67 3.34 0.59 0.00 -0.44 -0.12 105.19 108.37 1m26 n GLY 118 Ca -0.18 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 1m26 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m26 s SER 119 N -4.00 -0.41 -0.02 1.61 0.15 -0.60 -1.41 113.70 109.02 1m26 s SER 119 Ca 0.00 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1m26 s SER 119 Cb 0.00 0.66 0.03 0.00 -1.71 0.00 0.00 66.02 65.00 1m26 s SER 119 CO 0.00 -0.33 0.02 -0.63 1.20 0.00 0.00 173.24 173.50 1m26 s ILE 120 N -0.52 0.05 0.00 6.45 1.01 -0.82 -0.85 121.20 126.52 1m26 s ILE 120 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1m26 s ILE 120 Cb -0.03 -0.17 0.00 0.00 0.01 0.00 0.00 42.46 42.27 1m26 s ILE 120 CO 0.03 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1m26 n GLY 121 N 4.16 1.40 0.20 6.18 0.00 -1.26 -0.43 105.19 115.42 1m26 n GLY 121 Ca -0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1m26 n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1m26 h TYR 122 N 0.00 0.52 -4.21 1.61 0.05 -1.95 -0.53 116.97 112.46 1m26 h TYR 122 Ca 0.00 -0.18 -0.42 0.00 0.05 0.00 0.00 58.73 58.18 1m26 h TYR 122 Cb 0.00 -0.10 -0.14 0.00 1.01 0.00 0.00 36.73 37.50 1m26 h TYR 122 CO 0.00 0.87 -0.54 -1.58 -1.05 0.00 0.00 178.16 175.86 1m26 s TRP 123 N -3.94 1.61 -0.41 4.88 0.51 -1.26 -4.49 118.94 115.84 1m26 s TRP 123 Ca -0.06 -1.46 -0.28 0.00 -2.12 0.00 0.00 56.10 52.18 1m26 s TRP 123 Cb 0.12 -0.80 -0.00 0.00 -0.81 0.00 0.00 33.47 31.97 1m26 s TRP 123 CO 0.82 -0.63 1.62 -1.17 -0.51 0.00 0.00 176.95 177.08 1m26 s LEU 124 N -3.37 3.50 -0.01 2.99 2.96 -0.22 -4.35 118.68 120.18 1m26 s LEU 124 Ca 0.37 0.93 -0.25 0.00 -0.22 0.00 0.00 54.13 54.95 1m26 s LEU 124 Cb 0.04 -3.38 -0.19 0.00 0.50 0.00 0.00 46.19 43.16 1m26 s LEU 124 CO 0.20 -1.67 1.27 0.44 -1.32 0.00 0.00 176.35 175.26 1m26 h ASP 125 N 12.09 0.07 -5.18 3.68 3.32 -1.30 0.10 116.42 129.21 1m26 h ASP 125 Ca -0.30 -0.50 0.18 0.00 0.02 0.00 0.00 57.03 56.43 1m26 h ASP 125 Cb 1.14 -0.02 -0.11 0.00 0.22 0.00 0.00 39.33 40.56 1m26 h ASP 125 CO 1.09 0.56 0.53 -0.72 -1.72 0.00 0.00 179.24 178.98 1m26 s TYR 126 N -4.20 -0.17 0.15 4.55 -0.85 -1.23 -4.19 117.35 111.40 1m26 s TYR 126 Ca -0.16 -0.06 -0.21 0.00 -0.52 0.00 0.00 57.07 56.12 1m26 s TYR 126 Cb 0.02 0.60 0.06 0.00 0.38 0.00 0.00 41.96 43.02 1m26 s TYR 126 CO 0.69 -0.68 0.55 -0.59 -1.52 0.00 0.00 175.55 174.00 1m26 s PHE 127 N -3.12 -0.43 0.23 -3.49 -0.71 -1.26 -1.55 117.98 107.65 1m26 s PHE 127 Ca 0.11 0.18 0.02 0.00 -1.04 0.00 0.00 56.93 56.20 1m26 s PHE 127 Cb -0.01 0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 42.23 1m26 s PHE 127 CO -0.01 -0.82 0.03 -1.12 -1.34 0.00 0.00 175.22 171.96 1m26 s SER 128 N -2.77 1.55 -0.01 1.98 0.01 0.82 -4.96 113.70 110.32 1m26 s SER 128 Ca 0.02 -1.27 0.02 0.00 1.31 0.00 0.00 55.95 56.03 1m26 s SER 128 Cb -0.00 0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.30 1m26 s SER 128 CO -0.12 -0.60 -0.06 -0.04 0.41 0.00 0.00 173.24 172.83 1m26 s MET 129 N -3.93 0.56 0.07 12.44 -1.94 -1.26 -2.45 119.30 122.79 1m26 s MET 129 Ca 0.31 -0.21 -0.24 0.00 -1.71 0.00 0.00 55.69 53.84 1m26 s MET 129 Cb 0.07 -0.55 -0.06 0.00 2.01 0.00 0.00 34.83 36.30 1m26 s MET 129 CO 0.10 0.11 0.74 0.71 -0.01 0.00 0.00 175.02 176.66 1m26 s TYR 130 N 0.01 3.78 0.07 -0.03 1.51 -0.68 -4.99 117.35 117.01 1m26 s TYR 130 Ca 0.00 1.47 0.09 0.00 -1.01 0.00 0.00 57.07 57.62 1m26 s TYR 130 Cb -0.04 -2.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.01 1m26 s TYR 130 CO -0.00 0.36 -0.23 -0.51 -1.11 0.00 0.00 175.55 174.05 1m26 s LEU 131 N -0.39 2.21 0.17 -1.29 1.43 -1.26 -1.18 118.68 118.37 1m26 s LEU 131 Ca 0.36 -0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 52.62 1m26 s LEU 131 Cb -0.21 -1.08 0.06 0.00 0.03 0.00 0.00 46.19 44.99 1m26 s LEU 131 CO 0.23 0.17 0.72 -0.55 0.23 0.00 0.00 176.35 177.15 1m26 s SER 132 N -1.45 -0.40 0.00 2.29 0.15 -0.41 -4.92 113.70 108.96 1m26 s SER 132 Ca 0.09 -0.22 0.29 0.00 0.70 0.00 0.00 55.95 56.81 1m26 s SER 132 Cb -0.10 0.59 1.16 0.00 -1.71 0.00 0.00 66.02 65.96 1m26 s SER 132 CO 0.03 -1.01 1.81 0.18 1.20 0.00 0.00 173.24 175.44