#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 3.97 0.52 1.61 2.20 -0.24 -4.79 119.74 123.00 1m26 s LYS 2 Ca 0.00 0.03 -0.21 0.00 -0.36 0.00 0.00 55.97 55.43 1m26 s LYS 2 Cb 0.00 -3.67 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 1m26 s LYS 2 CO 0.00 -0.32 1.14 0.00 -0.36 0.00 0.00 175.35 175.82 1m26 s ALA 3 N 2.10 2.79 0.04 3.13 0.00 -1.26 -2.14 121.76 126.41 1m26 s ALA 3 Ca 0.15 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 1m26 s ALA 3 Cb -0.16 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1m26 s ALA 3 CO 0.10 -0.73 -0.01 -0.59 0.00 0.00 0.00 175.76 174.53 1m26 s PHE 4 N -1.69 0.39 -0.28 0.00 -0.71 -0.04 -4.93 117.98 110.71 1m26 s PHE 4 Ca 0.70 -0.83 0.02 0.00 -1.04 0.00 0.00 56.93 55.78 1m26 s PHE 4 Cb -0.25 -0.29 0.17 0.00 -1.21 0.00 0.00 43.02 41.43 1m26 s PHE 4 CO 0.29 -0.33 0.45 0.34 -1.34 0.00 0.00 175.22 174.64 1m26 s ASP 5 N -2.39 -0.14 0.35 1.98 -1.08 -1.26 -1.12 116.67 113.02 1m26 s ASP 5 Ca -0.01 -0.12 0.16 0.00 -0.52 0.00 0.00 52.55 52.06 1m26 s ASP 5 Cb 0.01 1.35 0.63 0.00 -1.46 0.00 0.00 42.92 43.46 1m26 s ASP 5 CO -0.07 -0.33 1.73 0.44 0.52 0.00 0.00 175.17 177.46 1m26 h ASP 6 N 8.12 0.00 -3.82 -0.34 3.32 -1.59 -3.49 116.42 118.61 1m26 h ASP 6 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1m26 h ASP 6 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1m26 h ASP 6 CO 0.24 0.43 0.00 0.61 -1.72 0.00 0.00 179.24 178.80 1m26 n GLY 7 N 0.10 -1.84 3.71 2.75 0.00 -1.25 -4.96 105.19 103.69 1m26 n GLY 7 Ca -0.01 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.56 3.36 0.00 4.61 0.00 -1.26 -4.00 121.76 122.91 1m26 s ALA 8 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1m26 s ALA 8 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1m26 s ALA 8 CO 0.00 0.64 0.00 1.19 0.00 0.00 0.00 175.76 177.59 1m26 n PHE 9 N 1.52 0.00 0.07 0.00 3.01 0.10 -5.00 117.46 117.16 1m26 n PHE 9 Ca -0.15 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.42 1m26 n PHE 9 Cb 0.53 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.95 1m26 n PHE 9 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1m26 n THR 10 N 0.00 0.42 -3.03 4.37 -2.24 -0.53 -4.86 114.28 108.41 1m26 n THR 10 Ca 0.00 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1m26 n THR 10 Cb 0.00 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1m26 n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1m26 n GLY 11 N 1.21 -1.37 3.19 3.38 0.00 -1.17 -4.92 105.19 105.51 1m26 n GLY 11 Ca -0.01 -1.00 -0.30 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 -2.89 1.83 -0.14 -0.61 1.01 -1.26 -1.12 121.20 118.01 1m26 s ILE 12 Ca 0.00 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.80 1m26 s ILE 12 Cb 0.00 -1.58 -0.12 0.00 0.01 0.00 0.00 42.46 40.77 1m26 s ILE 12 CO 0.00 0.51 -0.06 0.54 0.00 0.00 0.00 174.94 175.93 1m26 n ARG 13 N 3.36 1.05 -3.54 2.79 1.74 0.37 -4.75 116.66 117.68 1m26 n ARG 13 Ca -0.19 0.05 -0.18 0.00 -0.77 0.00 0.00 57.85 56.77 1m26 n ARG 13 Cb 0.53 -1.32 -0.06 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.31 1.03 -0.08 5.56 2.12 -0.75 -1.96 118.70 122.31 1m26 s GLU 14 Ca -0.15 0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.49 1m26 s GLU 14 Cb 0.05 0.48 0.01 0.00 0.26 0.00 0.00 34.13 34.93 1m26 s GLU 14 CO 0.42 -0.31 -0.14 0.42 -0.54 0.00 0.00 175.26 175.12 1m26 s ILE 15 N -1.09 1.29 -0.18 -3.70 1.01 -0.01 -0.65 121.20 117.87 1m26 s ILE 15 Ca -0.10 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 1m26 s ILE 15 Cb -0.01 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1m26 s ILE 15 CO 0.09 0.39 -0.14 0.20 0.00 0.00 0.00 174.94 175.48 1m26 s ASN 16 N 0.71 3.62 0.19 3.58 0.01 0.12 -0.05 114.94 123.12 1m26 s ASN 16 Ca -0.13 -0.51 -0.02 0.00 -0.71 0.00 0.00 52.86 51.48 1m26 s ASN 16 Cb -0.16 -1.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.89 1m26 s ASN 16 CO 0.03 0.03 0.14 -1.48 -1.51 0.00 0.00 177.10 174.32 1m26 s LEU 17 N 1.13 1.20 0.07 0.60 0.05 -0.67 -0.15 118.68 120.90 1m26 s LEU 17 Ca 0.01 -1.31 0.01 0.00 0.05 0.00 0.00 54.13 52.89 1m26 s LEU 17 Cb -0.14 0.48 -0.04 0.00 -2.05 0.00 0.00 46.19 44.44 1m26 s LEU 17 CO -0.05 -0.84 -0.06 -0.94 -0.55 0.00 0.00 176.35 173.91 1m26 s SER 18 N -3.12 0.84 0.22 1.48 1.04 -1.03 0.10 113.70 113.24 1m26 s SER 18 Ca 0.35 -0.88 -0.14 0.00 0.48 0.00 0.00 55.95 55.76 1m26 s SER 18 Cb 0.06 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1m26 s SER 18 CO 0.10 -0.44 0.47 -0.72 0.98 0.00 0.00 173.24 173.63 1m26 s TYR 19 N -3.11 0.22 -0.09 5.02 1.13 -0.54 -0.93 117.35 119.05 1m26 s TYR 19 Ca 0.04 -0.58 -0.00 0.00 -1.41 0.00 0.00 57.07 55.12 1m26 s TYR 19 Cb 0.02 0.23 0.02 0.00 -1.10 0.00 0.00 41.96 41.13 1m26 s TYR 19 CO -0.05 -0.95 -0.06 1.21 -2.51 0.00 0.00 175.55 173.19 1m26 s ASN 20 N -2.97 1.84 0.03 -0.18 3.84 -1.01 -0.08 114.94 116.41 1m26 s ASN 20 Ca 0.18 -0.24 0.02 0.00 0.21 0.00 0.00 52.86 53.03 1m26 s ASN 20 Cb -0.00 -0.71 0.08 0.00 -0.55 0.00 0.00 41.25 40.07 1m26 s ASN 20 CO 0.05 -0.10 0.90 0.29 -2.79 0.00 0.00 177.10 175.44 1m26 n LYS 21 N 4.70 0.01 0.00 0.43 5.02 -1.26 -1.34 118.16 125.72 1m26 n LYS 21 Ca -0.14 0.37 0.03 0.00 -2.02 0.00 0.00 58.31 56.54 1m26 n LYS 21 Cb 0.50 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1m26 n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1m26 n GLU 22 N -1.42 2.25 0.00 1.97 1.02 -1.26 -4.74 120.64 118.46 1m26 n GLU 22 Ca -0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 1m26 n GLU 22 Cb 0.17 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1m26 n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1m26 n THR 23 N -0.31 0.00 -2.23 2.62 -2.24 -0.45 -5.09 114.28 106.58 1m26 n THR 23 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1m26 n THR 23 Cb 0.13 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.87 6.98 0.00 -1.23 -4.63 120.51 116.76 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 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.96 3.80 -0.03 0.00 -1.09 -0.93 -2.42 121.20 117.58 1m26 s ILE 25 Ca 0.00 1.71 -0.07 0.00 -2.23 0.00 0.00 60.65 60.07 1m26 s ILE 25 Cb 0.00 -4.09 -0.02 0.00 -1.58 0.00 0.00 42.46 36.77 1m26 s ILE 25 CO 0.00 0.37 -0.13 0.61 -1.23 0.00 0.00 174.94 174.56 1m26 n GLY 26 N 1.57 -0.27 3.79 6.18 0.00 -0.11 -1.09 105.19 115.26 1m26 n GLY 26 Ca -0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.53 5.35 -0.17 1.61 1.01 -1.25 -3.52 116.67 114.17 1m26 s ASP 27 Ca -0.11 -0.28 -0.07 0.00 0.71 0.00 0.00 52.55 52.80 1m26 s ASP 27 Cb 0.01 -1.32 0.08 0.00 1.01 0.00 0.00 42.92 42.70 1m26 s ASP 27 CO 0.16 -0.00 0.37 0.12 0.21 0.00 0.00 175.17 176.02 1m26 s PHE 28 N -2.05 -0.64 -0.05 4.23 5.36 0.06 -2.45 117.98 122.44 1m26 s PHE 28 Ca 0.32 1.30 -0.02 0.00 -0.96 0.00 0.00 56.93 57.57 1m26 s PHE 28 Cb -0.08 0.19 0.03 0.00 -0.34 0.00 0.00 43.02 42.82 1m26 s PHE 28 CO 0.24 -0.41 0.10 -1.14 -1.46 0.00 0.00 175.22 172.54 1m26 s GLN 29 N 2.31 0.05 -0.03 10.12 0.74 0.78 -0.72 119.66 132.90 1m26 s GLN 29 Ca -0.02 0.28 0.06 0.00 0.05 0.00 0.00 55.36 55.72 1m26 s GLN 29 Cb -0.11 -0.18 -0.02 0.00 1.10 0.00 0.00 33.01 33.80 1m26 s GLN 29 CO -0.11 -0.15 -0.21 0.08 -0.55 0.00 0.00 175.29 174.35 1m26 s VAL 30 N 1.00 2.51 -0.37 1.34 1.01 -1.26 0.15 120.40 124.78 1m26 s VAL 30 Ca -0.08 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 1m26 s VAL 30 Cb -0.11 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.38 1m26 s VAL 30 CO -0.04 0.58 0.19 -0.69 0.00 0.00 0.00 175.10 175.14 1m26 s VAL 31 N -0.65 4.34 0.59 2.92 1.01 0.17 -0.90 120.40 127.89 1m26 s VAL 31 Ca 0.10 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1m26 s VAL 31 Cb -0.10 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.87 1m26 s VAL 31 CO -0.00 -0.25 0.84 -0.31 0.00 0.00 0.00 175.10 175.38 1m26 s TYR 32 N 1.50 2.70 -0.10 5.22 1.51 0.37 -0.48 117.35 128.06 1m26 s TYR 32 Ca 0.01 0.02 -0.04 0.00 -1.01 0.00 0.00 57.07 56.04 1m26 s TYR 32 Cb -0.20 -2.85 -0.04 0.00 -0.11 0.00 0.00 41.96 38.77 1m26 s TYR 32 CO 0.05 -1.06 0.07 0.34 -1.11 0.00 0.00 175.55 173.84 1m26 s ASP 33 N -4.48 5.81 -0.36 2.29 2.15 -0.28 -0.62 116.67 121.17 1m26 s ASP 33 Ca 0.59 0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.87 1m26 s ASP 33 Cb -0.10 -1.78 0.12 0.00 -0.30 0.00 0.00 42.92 40.87 1m26 s ASP 33 CO 0.40 0.39 0.17 -0.22 -0.17 0.00 0.00 175.17 175.74 1m26 s LEU 34 N -0.93 2.12 -1.37 -1.34 2.96 0.12 -1.46 118.68 118.78 1m26 s LEU 34 Ca 0.14 -2.08 -0.07 0.00 -0.22 0.00 0.00 54.13 51.91 1m26 s LEU 34 Cb -0.12 -0.83 0.03 0.00 0.50 0.00 0.00 46.19 45.77 1m26 s LEU 34 CO 0.03 -0.34 0.97 0.59 -1.32 0.00 0.00 176.35 176.28 1m26 n ASN 35 N 4.26 -3.84 0.00 3.68 5.03 -1.26 -2.50 115.26 120.62 1m26 n ASN 35 Ca 0.04 -0.69 0.00 0.00 0.87 0.00 0.00 54.58 54.80 1m26 n ASN 35 Cb 0.38 -4.48 0.00 0.00 -1.02 0.00 0.00 39.78 34.67 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 -1.65 0.92 3.27 7.41 0.00 -1.26 -5.05 105.19 108.83 1m26 n GLY 36 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.98 2.44 0.38 1.61 0.01 -1.04 -5.12 113.70 109.00 1m26 s SER 37 Ca 0.00 -0.65 -0.26 0.00 1.31 0.00 0.00 55.95 56.35 1m26 s SER 37 Cb 0.00 -0.14 -0.09 0.00 0.21 0.00 0.00 66.02 66.00 1m26 s SER 37 CO 0.00 0.06 1.22 -2.84 0.41 0.00 0.00 173.24 172.09 1m26 s PRO 38 N -1.77 4.12 -0.17 12.44 0.02 -1.26 0.11 135.00 148.49 1m26 s PRO 38 Ca 0.06 1.97 -0.01 0.00 0.02 0.00 0.00 61.00 63.04 1m26 s PRO 38 Cb -0.10 -2.79 0.05 0.00 0.02 0.00 0.00 34.50 31.68 1m26 s PRO 38 CO 0.04 -0.30 -0.02 -0.47 -0.33 0.00 0.00 177.00 175.91 1m26 s TYR 39 N -1.31 1.48 -0.50 6.54 6.14 0.21 -4.81 117.35 125.09 1m26 s TYR 39 Ca 0.55 -1.00 -0.28 0.00 0.64 0.00 0.00 57.07 56.98 1m26 s TYR 39 Cb -0.34 -1.21 0.03 0.00 0.42 0.00 0.00 41.96 40.86 1m26 s TYR 39 CO 0.44 -0.60 1.09 0.08 0.64 0.00 0.00 175.55 177.19 1m26 s VAL 40 N 1.71 4.24 0.99 3.14 1.01 -1.26 -0.48 120.40 129.75 1m26 s VAL 40 Ca -0.00 0.98 -0.13 0.00 0.00 0.00 0.00 61.98 62.83 1m26 s VAL 40 Cb -0.16 -4.59 0.18 0.00 0.00 0.00 0.00 36.38 31.82 1m26 s VAL 40 CO -0.07 -1.05 1.11 -0.83 0.00 0.00 0.00 175.10 174.25 1m26 s GLY 41 N 2.55 1.56 0.65 4.51 0.00 -0.07 -4.99 107.32 111.52 1m26 s GLY 41 Ca 0.43 -0.44 -0.17 0.00 0.00 0.00 0.00 44.72 44.54 1m26 s GLY 41 CO 0.28 0.17 1.18 1.20 0.00 0.00 0.00 173.10 175.94 1m26 s GLN 42 N -5.06 2.68 -0.43 2.90 -0.21 -1.26 -4.74 119.66 113.54 1m26 s GLN 42 Ca 0.65 1.68 -0.18 0.00 0.02 0.00 0.00 55.36 57.53 1m26 s GLN 42 Cb -0.17 -1.91 0.02 0.00 1.00 0.00 0.00 33.01 31.95 1m26 s GLN 42 CO 0.56 -1.40 0.49 1.21 -2.12 0.00 0.00 175.29 174.03 1m26 s ASN 43 N -1.99 6.23 -0.58 5.90 2.47 -1.26 -4.39 114.94 121.31 1m26 s ASN 43 Ca 0.73 -0.59 -0.25 0.00 0.42 0.00 0.00 52.86 53.18 1m26 s ASN 43 Cb -0.27 -2.25 0.04 0.00 -1.45 0.00 0.00 41.25 37.32 1m26 s ASN 43 CO 0.39 -0.63 1.01 -1.00 -3.72 0.00 0.00 177.10 173.15 1m26 s HIS 44 N 2.32 2.71 0.04 0.43 3.76 0.10 -4.94 115.29 119.71 1m26 s HIS 44 Ca 0.15 -0.00 0.00 0.00 -0.15 0.00 0.00 55.06 55.05 1m26 s HIS 44 Cb -0.16 -4.22 -0.04 0.00 1.11 0.00 0.00 32.58 29.27 1m26 s HIS 44 CO 0.15 -1.48 0.15 0.15 -0.85 0.00 0.00 174.74 172.86 1m26 s LYS 45 N 4.27 3.25 0.84 1.40 1.02 -1.26 -0.76 119.74 128.49 1m26 s LYS 45 Ca 0.32 -0.48 -0.11 0.00 0.02 0.00 0.00 55.97 55.72 1m26 s LYS 45 Cb -0.12 -2.95 0.10 0.00 -0.52 0.00 0.00 37.83 34.35 1m26 s LYS 45 CO 0.19 0.62 1.13 0.45 -0.92 0.00 0.00 175.35 176.82 1m26 s SER 46 N -2.23 3.65 0.44 2.83 0.15 -1.23 -4.87 113.70 112.43 1m26 s SER 46 Ca 0.30 2.06 0.29 0.00 0.70 0.00 0.00 55.95 59.29 1m26 s SER 46 Cb -0.13 -2.55 1.02 0.00 -1.71 0.00 0.00 66.02 62.65 1m26 s SER 46 CO 0.22 -2.62 1.83 -0.26 1.20 0.00 0.00 173.24 173.62 1m26 h PHE 47 N -1.46 0.00 -1.37 3.44 0.04 -1.11 -3.45 116.94 113.03 1m26 h PHE 47 Ca -0.44 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 59.71 1m26 h PHE 47 Cb 1.25 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.27 1m26 h PHE 47 CO 0.53 0.00 -0.57 0.96 -0.60 0.00 0.00 178.31 178.64 1m26 s ILE 48 N -3.44 1.53 0.41 -0.55 -4.36 -1.26 -5.04 121.20 108.48 1m26 s ILE 48 Ca 0.04 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.46 1m26 s ILE 48 Cb 0.08 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 41.12 1m26 s ILE 48 CO 0.55 0.00 0.09 0.42 0.24 0.00 0.00 174.94 176.24 1m26 s THR 49 N -2.86 0.84 0.00 8.37 -4.23 -1.26 -4.92 115.64 111.58 1m26 s THR 49 Ca 0.24 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1m26 s THR 49 Cb 0.06 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1m26 s THR 49 CO 0.12 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 1m26 n GLY 50 N -0.92 1.76 3.96 3.99 0.00 -1.26 -5.13 105.19 107.60 1m26 n GLY 50 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 3.45 -0.29 1.61 0.08 -1.26 -4.88 117.98 114.68 1m26 s PHE 51 Ca 0.00 -0.01 -0.14 0.00 0.12 0.00 0.00 56.93 56.90 1m26 s PHE 51 Cb 0.00 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 1m26 s PHE 51 CO 0.00 0.45 0.30 0.99 -0.10 0.00 0.00 175.22 176.86 1m26 s THR 52 N -1.96 5.22 0.34 0.64 2.01 0.89 -4.83 115.64 117.95 1m26 s THR 52 Ca 0.34 0.31 -0.26 0.00 0.31 0.00 0.00 61.69 62.39 1m26 s THR 52 Cb -0.09 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 1m26 s THR 52 CO 0.29 0.14 1.02 -2.84 -0.69 0.00 0.00 174.62 172.53 1m26 s PRO 53 N 1.94 4.44 -0.01 4.92 0.02 -1.26 -1.47 135.00 143.59 1m26 s PRO 53 Ca 0.11 1.50 0.01 0.00 0.02 0.00 0.00 61.00 62.65 1m26 s PRO 53 Cb -0.16 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.56 1m26 s PRO 53 CO 0.11 0.11 -0.04 0.08 -0.33 0.00 0.00 177.00 176.93 1m26 s VAL 54 N -1.52 0.33 -0.14 3.83 1.01 0.11 -4.97 120.40 119.06 1m26 s VAL 54 Ca 0.52 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1m26 s VAL 54 Cb -0.23 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1m26 s VAL 54 CO 0.29 0.10 -0.19 -0.75 0.00 0.00 0.00 175.10 174.56 1m26 s LYS 55 N 0.03 3.13 -0.40 2.72 2.20 -1.26 -1.68 119.74 124.49 1m26 s LYS 55 Ca 0.00 -0.80 -0.04 0.00 -0.36 0.00 0.00 55.97 54.77 1m26 s LYS 55 Cb -0.03 -2.52 0.09 0.00 -1.51 0.00 0.00 37.83 33.87 1m26 s LYS 55 CO -0.00 0.04 0.19 0.42 -0.36 0.00 0.00 175.35 175.64 1m26 s ILE 56 N 0.73 3.49 -0.30 5.43 1.01 0.92 -4.99 121.20 127.49 1m26 s ILE 56 Ca -0.08 -1.79 -0.11 0.00 0.00 0.00 0.00 60.65 58.66 1m26 s ILE 56 Cb -0.16 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1m26 s ILE 56 CO 0.01 -0.56 0.20 -0.44 0.00 0.00 0.00 174.94 174.14 1m26 s SER 57 N 1.84 5.92 0.10 3.58 0.01 -1.26 -0.83 113.70 123.06 1m26 s SER 57 Ca 0.05 -0.23 -0.04 0.00 1.31 0.00 0.00 55.95 57.04 1m26 s SER 57 Cb -0.23 -2.10 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 1m26 s SER 57 CO -0.02 -0.13 0.32 -0.76 0.41 0.00 0.00 173.24 173.05 1m26 s LEU 58 N 1.72 4.31 -1.38 2.44 1.43 -0.83 -4.99 118.68 121.38 1m26 s LEU 58 Ca 0.06 0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 53.53 1m26 s LEU 58 Cb -0.17 -3.14 0.09 0.00 0.03 0.00 0.00 46.19 43.01 1m26 s LEU 58 CO 0.10 0.11 2.04 0.47 0.23 0.00 0.00 176.35 179.30 1m26 n ASP 59 N 0.27 4.41 -4.72 2.29 8.00 -1.26 -4.85 116.55 120.70 1m26 n ASP 59 Ca -0.04 -2.94 -0.42 0.00 0.71 0.00 0.00 54.79 52.09 1m26 n ASP 59 Cb 0.52 -1.60 -0.01 0.00 -0.02 0.00 0.00 41.12 40.01 1m26 n ASP 59 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1m26 n PHE 60 N 5.49 2.47 0.14 1.24 7.35 -1.26 -0.89 117.46 132.00 1m26 n PHE 60 Ca 0.47 0.49 0.04 0.00 -0.76 0.00 0.00 57.45 57.68 1m26 n PHE 60 Cb 0.39 -2.46 -0.05 0.00 0.35 0.00 0.00 39.48 37.70 1m26 n PHE 60 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1m26 n PRO 61 N 0.87 1.98 0.03 -7.13 -0.04 -1.26 -4.77 135.00 124.68 1m26 n PRO 61 Ca 0.05 -0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.41 1m26 n PRO 61 Cb 0.36 -1.05 0.13 0.00 -0.04 0.00 0.00 33.50 32.90 1m26 n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1m26 h SER 62 N 0.00 0.48 -3.17 3.54 4.64 -1.95 -3.42 113.55 113.67 1m26 h SER 62 Ca 0.00 -0.23 -0.65 0.00 -0.47 0.00 0.00 61.79 60.44 1m26 h SER 62 Cb 0.28 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 62.09 1m26 h SER 62 CO 0.00 0.87 -0.58 -0.70 -0.87 0.00 0.00 176.83 175.56 1m26 s GLU 63 N -4.12 3.47 0.03 4.77 2.12 -0.07 -4.96 118.70 119.94 1m26 s GLU 63 Ca -0.06 -0.34 -0.17 0.00 0.36 0.00 0.00 54.97 54.76 1m26 s GLU 63 Cb 0.12 -3.03 0.03 0.00 0.26 0.00 0.00 34.13 31.52 1m26 s GLU 63 CO 0.81 0.54 0.38 1.52 -0.54 0.00 0.00 175.26 177.97 1m26 s TYR 64 N -0.40 -0.22 0.17 5.30 -0.85 -1.26 -4.29 117.35 115.80 1m26 s TYR 64 Ca 0.09 0.20 -0.30 0.00 -0.52 0.00 0.00 57.07 56.54 1m26 s TYR 64 Cb -0.12 0.17 -0.08 0.00 0.38 0.00 0.00 41.96 42.31 1m26 s TYR 64 CO 0.02 -0.52 1.21 0.42 -1.52 0.00 0.00 175.55 175.15 1m26 s ILE 65 N -2.25 3.58 -0.01 -3.49 1.01 -1.26 -2.52 121.20 116.25 1m26 s ILE 65 Ca -0.07 1.31 0.07 0.00 0.00 0.00 0.00 60.65 61.96 1m26 s ILE 65 Cb -0.02 -3.83 -0.11 0.00 0.01 0.00 0.00 42.46 38.51 1m26 s ILE 65 CO -0.01 0.20 0.15 0.23 0.00 0.00 0.00 174.94 175.51 1m26 n MET 66 N 2.66 0.36 -3.67 2.79 2.81 0.11 -4.74 117.12 117.44 1m26 n MET 66 Ca 0.05 -0.06 -0.12 0.00 -1.81 0.00 0.00 57.70 55.75 1m26 n MET 66 Cb 0.45 -1.17 -0.08 0.00 -0.71 0.00 0.00 33.22 31.70 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 -2.49 0.65 -0.11 0.03 2.12 -0.88 -0.33 118.70 117.70 1m26 s GLU 67 Ca -0.03 0.86 0.03 0.00 0.36 0.00 0.00 54.97 56.20 1m26 s GLU 67 Cb 0.05 0.26 -0.00 0.00 0.26 0.00 0.00 34.13 34.70 1m26 s GLU 67 CO 0.30 -0.10 -0.22 0.08 -0.54 0.00 0.00 175.26 174.78 1m26 s VAL 68 N 0.62 2.24 0.20 3.70 1.01 -0.87 -1.10 120.40 126.20 1m26 s VAL 68 Ca -0.02 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1m26 s VAL 68 Cb -0.05 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1m26 s VAL 68 CO -0.04 0.55 0.14 -0.94 0.00 0.00 0.00 175.10 174.81 1m26 s SER 69 N 0.38 0.20 0.00 3.32 1.04 -0.60 -0.12 113.70 117.92 1m26 s SER 69 Ca -0.17 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 54.86 1m26 s SER 69 Cb -0.17 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1m26 s SER 69 CO 0.08 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1m26 n GLY 70 N -0.28 -0.64 2.92 7.32 0.00 -0.57 -0.09 105.19 113.85 1m26 n GLY 70 Ca 0.02 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.00 0.33 0.10 1.61 2.02 -0.90 -1.22 117.35 116.29 1m26 s TYR 71 Ca 0.00 -0.06 0.07 0.00 -0.37 0.00 0.00 57.07 56.72 1m26 s TYR 71 Cb 0.00 -0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.28 1m26 s TYR 71 CO 0.00 -0.02 -0.11 0.95 -1.57 0.00 0.00 175.55 174.79 1m26 s THR 72 N 0.05 3.27 -0.02 -0.71 -4.23 -0.40 -0.30 115.64 113.31 1m26 s THR 72 Ca -0.00 -1.29 -0.29 0.00 -1.18 0.00 0.00 61.69 58.93 1m26 s THR 72 Cb -0.03 -2.52 0.11 0.00 1.34 0.00 0.00 72.50 71.40 1m26 s THR 72 CO -0.00 0.13 1.29 -0.83 -0.54 0.00 0.00 174.62 174.66 1m26 s GLY 73 N -2.15 -0.27 0.22 3.99 0.00 -0.35 -0.36 107.32 108.41 1m26 s GLY 73 Ca 0.20 0.37 -0.21 0.00 0.00 0.00 0.00 44.72 45.08 1m26 s GLY 73 CO 0.13 2.78 0.75 0.54 0.00 0.00 0.00 173.10 177.30 1m26 s ASN 74 N -3.38 7.15 -0.11 1.64 4.22 -1.25 -0.80 114.94 122.41 1m26 s ASN 74 Ca 0.22 1.50 -0.03 0.00 -2.14 0.00 0.00 52.86 52.40 1m26 s ASN 74 Cb 0.02 -2.45 0.05 0.00 1.28 0.00 0.00 41.25 40.15 1m26 s ASN 74 CO -0.02 0.07 0.12 -0.69 -2.04 0.00 0.00 177.10 174.54 1m26 s VAL 75 N -1.44 -0.19 -1.50 3.54 1.01 0.29 -4.88 120.40 117.23 1m26 s VAL 75 Ca 0.42 0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.46 1m26 s VAL 75 Cb -0.18 -0.37 0.08 0.00 0.00 0.00 0.00 36.38 35.91 1m26 s VAL 75 CO 0.22 0.01 0.88 -0.24 0.00 0.00 0.00 175.10 175.97 1m26 n SER 76 N 5.31 -4.77 0.00 3.32 2.88 -1.26 -1.57 113.62 117.53 1m26 n SER 76 Ca -0.05 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 56.81 1m26 n SER 76 Cb 0.50 -3.83 0.00 0.00 -0.75 0.00 0.00 64.21 60.13 1m26 n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1m26 n GLY 77 N -1.60 0.76 3.23 0.46 0.00 -1.26 -5.05 105.19 101.73 1m26 n GLY 77 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.76 1.74 -0.11 1.61 2.02 -0.61 -5.09 117.35 114.15 1m26 s TYR 78 Ca 0.00 -0.36 -0.26 0.00 -0.37 0.00 0.00 57.07 56.08 1m26 s TYR 78 Cb 0.00 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.49 1m26 s TYR 78 CO 0.00 0.07 0.82 0.08 -1.57 0.00 0.00 175.55 174.95 1m26 s VAL 79 N -0.75 4.92 0.26 0.71 1.01 -1.26 -0.54 120.40 124.74 1m26 s VAL 79 Ca 0.07 1.66 -0.02 0.00 0.00 0.00 0.00 61.98 63.68 1m26 s VAL 79 Cb -0.08 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1m26 s VAL 79 CO 0.01 0.11 0.28 0.68 0.00 0.00 0.00 175.10 176.18 1m26 s VAL 80 N 1.59 0.00 -0.37 2.92 -7.23 0.02 -4.76 120.40 112.56 1m26 s VAL 80 Ca 0.40 -1.83 -0.22 0.00 -1.81 0.00 0.00 61.98 58.53 1m26 s VAL 80 Cb -0.18 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1m26 s VAL 80 CO 0.17 0.00 0.72 -0.69 -0.31 0.00 0.00 175.10 174.98 1m26 s VAL 81 N -3.83 4.79 -0.16 1.32 1.01 0.11 -1.21 120.40 122.45 1m26 s VAL 81 Ca 0.35 0.70 0.19 0.00 0.00 0.00 0.00 61.98 63.22 1m26 s VAL 81 Cb 0.04 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 1m26 s VAL 81 CO 0.16 -0.42 0.84 0.54 0.00 0.00 0.00 175.10 176.22 1m26 n ARG 82 N 6.29 0.62 -3.73 2.72 1.74 0.59 -2.18 116.66 122.70 1m26 n ARG 82 Ca 0.01 0.15 -0.14 0.00 -0.77 0.00 0.00 57.85 57.11 1m26 n ARG 82 Cb 0.48 -1.78 -0.08 0.00 -1.02 0.00 0.00 32.46 30.06 1m26 n ARG 82 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1m26 s SER 83 N -5.55 -0.24 0.01 0.55 0.15 -1.12 -0.82 113.70 106.68 1m26 s SER 83 Ca -0.03 0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 1m26 s SER 83 Cb 0.09 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1m26 s SER 83 CO 0.81 -0.47 -0.01 -0.76 1.20 0.00 0.00 173.24 174.01 1m26 s LEU 84 N -1.33 2.11 -0.02 3.45 1.43 -0.81 -2.12 118.68 121.38 1m26 s LEU 84 Ca -0.13 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1m26 s LEU 84 Cb -0.05 0.12 0.01 0.00 0.03 0.00 0.00 46.19 46.30 1m26 s LEU 84 CO 0.05 -0.21 -0.02 -0.89 0.23 0.00 0.00 176.35 175.51 1m26 s THR 85 N -0.99 0.23 -0.21 5.49 2.01 0.87 -1.02 115.64 122.02 1m26 s THR 85 Ca -0.11 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1m26 s THR 85 Cb -0.07 -0.25 0.03 0.00 0.01 0.00 0.00 72.50 72.22 1m26 s THR 85 CO -0.01 0.11 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.51 1m26 s PHE 86 N 0.43 2.95 -0.24 4.92 0.08 -0.29 -1.56 117.98 124.27 1m26 s PHE 86 Ca -0.04 -1.86 -0.08 0.00 0.12 0.00 0.00 56.93 55.07 1m26 s PHE 86 Cb -0.07 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1m26 s PHE 86 CO -0.01 -0.83 0.08 0.21 -0.10 0.00 0.00 175.22 174.58 1m26 s LYS 87 N 1.23 3.74 0.47 0.44 2.20 -0.25 -0.03 119.74 127.53 1m26 s LYS 87 Ca 0.00 -0.44 0.05 0.00 -0.36 0.00 0.00 55.97 55.22 1m26 s LYS 87 Cb -0.15 -3.34 0.05 0.00 -1.51 0.00 0.00 37.83 32.87 1m26 s LYS 87 CO -0.10 -0.11 0.40 0.25 -0.36 0.00 0.00 175.35 175.43 1m26 n THR 88 N 4.71 0.00 1.32 3.43 -2.24 0.31 0.05 114.28 121.86 1m26 n THR 88 Ca -0.16 -1.80 0.12 0.00 -2.27 0.00 0.00 64.05 59.94 1m26 n THR 88 Cb 0.52 -0.19 0.66 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.96 0.00 0.00 3.42 6.94 -1.05 -3.72 115.26 118.89 1m26 n ASN 89 Ca 0.01 -0.44 0.00 0.00 -0.02 0.00 0.00 54.58 54.14 1m26 n ASN 89 Cb 0.52 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 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 -1.13 1.53 -3.75 -3.83 5.02 -1.26 -5.06 118.16 109.68 1m26 n LYS 90 Ca 0.15 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.35 1m26 n LYS 90 Cb 0.13 -1.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 1m26 n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1m26 s LYS 91 N -2.00 1.54 -0.19 1.97 2.20 -1.24 -5.14 119.74 116.87 1m26 s LYS 91 Ca 0.00 -0.87 -0.05 0.00 -0.36 0.00 0.00 55.97 54.69 1m26 s LYS 91 Cb 0.00 0.56 -0.03 0.00 -1.51 0.00 0.00 37.83 36.86 1m26 s LYS 91 CO 0.00 -0.68 0.00 0.99 -0.36 0.00 0.00 175.35 175.30 1m26 s THR 92 N -3.88 4.04 -0.34 3.43 2.01 -1.26 -0.53 115.64 119.11 1m26 s THR 92 Ca 0.09 -0.29 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 1m26 s THR 92 Cb -0.03 -2.82 0.03 0.00 0.01 0.00 0.00 72.50 69.70 1m26 s THR 92 CO 0.00 0.44 0.12 -0.31 -0.69 0.00 0.00 174.62 174.18 1m26 s TYR 93 N 0.81 3.24 -2.02 4.92 1.51 0.95 -5.00 117.35 121.77 1m26 s TYR 93 Ca 0.01 -1.32 0.00 0.00 -1.01 0.00 0.00 57.07 54.75 1m26 s TYR 93 Cb -0.14 -2.29 0.00 0.00 -0.11 0.00 0.00 41.96 39.41 1m26 s TYR 93 CO 0.02 -0.70 0.00 0.41 -1.11 0.00 0.00 175.55 174.17 1m26 n GLY 94 N 4.84 0.55 3.77 0.71 0.00 -1.26 -1.14 105.19 112.66 1m26 n GLY 94 Ca -0.13 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.81 4.30 -0.20 1.61 0.04 -1.26 -5.00 135.00 133.68 1m26 s PRO 95 Ca 0.00 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 1m26 s PRO 95 Cb 0.00 -2.89 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 1m26 s PRO 95 CO 0.00 -0.11 -0.06 0.71 0.04 0.00 0.00 177.00 177.58 1m26 s TYR 96 N -1.31 2.93 0.00 0.56 2.02 -0.19 -4.95 117.35 116.41 1m26 s TYR 96 Ca 0.52 -0.84 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1m26 s TYR 96 Cb -0.32 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 1m26 s TYR 96 CO 0.41 -0.44 0.00 0.41 -1.57 0.00 0.00 175.55 174.36 1m26 n GLY 97 N 4.43 0.22 3.32 0.71 0.00 -1.26 -1.93 105.19 110.67 1m26 n GLY 97 Ca -0.18 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 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 3.43 -1.42 1.61 1.01 -0.00 -4.83 120.40 120.19 1m26 s VAL 98 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1m26 s VAL 98 Cb 0.00 -2.56 0.06 0.00 0.00 0.00 0.00 36.38 33.88 1m26 s VAL 98 CO 0.00 0.42 2.34 0.35 0.00 0.00 0.00 175.10 178.21 1m26 n THR 99 N 4.79 4.26 -4.13 3.92 -2.24 -1.26 -3.75 114.28 115.87 1m26 n THR 99 Ca -0.18 -3.55 -0.15 0.00 -2.27 0.00 0.00 64.05 57.90 1m26 n THR 99 Cb 0.51 -2.44 -0.14 0.00 -2.10 0.00 0.00 70.33 66.16 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 1.75 0.58 0.00 3.42 0.15 -1.26 -5.08 113.70 113.26 1m26 s SER 100 Ca 0.52 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1m26 s SER 100 Cb 0.15 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1m26 s SER 100 CO -0.06 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1m26 n GLY 101 N 2.85 0.11 3.50 9.45 0.00 -1.26 -4.53 105.19 115.30 1m26 n GLY 101 Ca -0.14 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 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 4.45 0.64 2.61 2.01 0.52 -4.90 115.64 120.97 1m26 s THR 102 Ca 0.00 -0.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.73 1m26 s THR 102 Cb 0.00 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 1m26 s THR 102 CO 0.00 0.36 1.07 -2.16 -0.69 0.00 0.00 174.62 173.21 1m26 s PRO 103 N 1.32 3.02 0.05 4.92 0.04 -1.26 -1.27 135.00 141.82 1m26 s PRO 103 Ca 0.05 1.20 -0.14 0.00 0.04 0.00 0.00 61.00 62.15 1m26 s PRO 103 Cb -0.15 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1m26 s PRO 103 CO 0.04 -1.05 0.30 -0.59 0.04 0.00 0.00 177.00 175.74 1m26 s PHE 104 N -2.58 -0.10 -0.14 0.56 -0.12 -0.35 -4.90 117.98 110.35 1m26 s PHE 104 Ca 0.63 -0.04 -0.28 0.00 -0.05 0.00 0.00 56.93 57.19 1m26 s PHE 104 Cb -0.17 0.10 0.07 0.00 -0.63 0.00 0.00 43.02 42.39 1m26 s PHE 104 CO 0.43 -0.51 0.69 0.54 -0.05 0.00 0.00 175.22 176.32 1m26 s ASN 105 N -2.09 -0.69 -0.40 1.98 6.03 -1.26 -1.51 114.94 117.00 1m26 s ASN 105 Ca -0.05 1.01 0.02 0.00 -1.03 0.00 0.00 52.86 52.82 1m26 s ASN 105 Cb -0.01 0.92 0.12 0.00 -3.03 0.00 0.00 41.25 39.25 1m26 s ASN 105 CO -0.04 -0.46 0.15 -0.22 -2.03 0.00 0.00 177.10 174.51 1m26 s LEU 106 N -0.53 3.55 0.25 3.54 2.96 0.83 -5.00 118.68 124.28 1m26 s LEU 106 Ca -0.06 -2.33 -0.17 0.00 -0.22 0.00 0.00 54.13 51.34 1m26 s LEU 106 Cb -0.02 -1.30 -0.08 0.00 0.50 0.00 0.00 46.19 45.29 1m26 s LEU 106 CO 0.06 -0.33 0.71 -2.84 -1.32 0.00 0.00 176.35 172.63 1m26 s PRO 107 N 0.68 4.14 -0.17 0.98 0.02 -1.26 -2.05 135.00 137.35 1m26 s PRO 107 Ca 0.14 0.76 0.01 0.00 0.02 0.00 0.00 61.00 61.92 1m26 s PRO 107 Cb -0.21 -2.74 0.02 0.00 0.02 0.00 0.00 34.50 31.59 1m26 s PRO 107 CO -0.08 0.33 -0.17 0.42 -0.33 0.00 0.00 177.00 177.17 1m26 s ILE 108 N -1.67 1.80 -0.04 2.83 1.01 0.56 -4.98 121.20 120.72 1m26 s ILE 108 Ca 0.46 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 1m26 s ILE 108 Cb -0.14 -1.67 -0.30 0.00 0.01 0.00 0.00 42.46 40.35 1m26 s ILE 108 CO 0.20 0.47 0.71 -0.08 0.00 0.00 0.00 174.94 176.24 1m26 h GLU 109 N 7.99 0.37 -3.05 2.79 4.81 -1.97 -3.46 114.58 122.06 1m26 h GLU 109 Ca -0.41 -0.63 -0.21 0.00 -0.13 0.00 0.00 59.36 57.98 1m26 h GLU 109 Cb 1.13 0.24 -0.31 0.00 0.63 0.00 0.00 28.75 30.44 1m26 h GLU 109 CO 0.57 1.28 -0.51 1.21 -0.73 0.00 0.00 179.01 180.83 1m26 s ASN 110 N -7.24 -0.13 0.00 1.04 2.47 -1.26 -5.13 114.94 104.70 1m26 s ASN 110 Ca -0.14 0.49 0.00 0.00 0.42 0.00 0.00 52.86 53.62 1m26 s ASN 110 Cb 0.06 0.40 0.00 0.00 -1.45 0.00 0.00 41.25 40.26 1m26 s ASN 110 CO 0.86 -0.17 0.00 0.61 -3.72 0.00 0.00 177.10 174.67 1m26 n GLY 111 N 4.40 1.62 3.05 1.21 0.00 -1.26 -5.01 105.19 109.19 1m26 n GLY 111 Ca -0.23 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.54 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 2.25 -0.12 0.99 1.43 0.13 -4.96 118.68 118.40 1m26 s LEU 112 Ca 0.00 -0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 52.32 1m26 s LEU 112 Cb 0.00 -0.13 -0.02 0.00 0.03 0.00 0.00 46.19 46.07 1m26 s LEU 112 CO 0.00 -0.21 0.81 -0.63 0.23 0.00 0.00 176.35 176.55 1m26 s ILE 113 N -1.35 4.93 -0.04 -0.59 1.01 -1.26 -1.10 121.20 122.79 1m26 s ILE 113 Ca -0.10 1.62 0.06 0.00 0.00 0.00 0.00 60.65 62.23 1m26 s ILE 113 Cb -0.10 -4.13 0.10 0.00 0.01 0.00 0.00 42.46 38.34 1m26 s ILE 113 CO 0.00 0.11 0.96 1.33 0.00 0.00 0.00 174.94 177.34 1m26 n VAL 114 N 4.35 0.91 0.00 2.92 0.24 0.05 -4.49 118.33 122.31 1m26 n VAL 114 Ca 0.03 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 1m26 n VAL 114 Cb 0.50 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 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 -0.62 1.28 3.17 7.63 0.00 -1.24 0.02 105.19 115.43 1m26 n GLY 115 Ca 0.05 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 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 1.05 0.11 1.61 0.08 -1.26 -0.97 117.98 116.60 1m26 s PHE 116 Ca 0.00 -0.63 -0.13 0.00 0.12 0.00 0.00 56.93 56.29 1m26 s PHE 116 Cb 0.00 -0.58 0.02 0.00 -0.57 0.00 0.00 43.02 41.89 1m26 s PHE 116 CO 0.00 -0.00 0.30 -1.59 -0.10 0.00 0.00 175.22 173.83 1m26 s LYS 117 N -2.64 0.96 0.00 0.44 -2.85 -0.99 -1.30 119.74 113.37 1m26 s LYS 117 Ca 0.04 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.18 1m26 s LYS 117 Cb -0.04 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1m26 s LYS 117 CO 0.00 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1m26 n GLY 118 N -0.15 -0.73 3.63 0.59 0.00 -0.27 -0.49 105.19 107.76 1m26 n GLY 118 Ca -0.16 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.71 -0.05 1.61 0.15 -0.90 -0.86 113.70 108.94 1m26 s SER 119 Ca 0.00 1.37 0.01 0.00 0.70 0.00 0.00 55.95 58.03 1m26 s SER 119 Cb 0.00 1.38 0.02 0.00 -1.71 0.00 0.00 66.02 65.71 1m26 s SER 119 CO 0.00 -0.25 -0.05 -0.63 1.20 0.00 0.00 173.24 173.52 1m26 s ILE 120 N 0.33 0.57 0.00 6.45 1.01 -0.91 -0.14 121.20 128.50 1m26 s ILE 120 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1m26 s ILE 120 Cb -0.05 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1m26 s ILE 120 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1m26 n GLY 121 N 4.07 1.09 0.18 6.18 0.00 -1.26 -1.08 105.19 114.36 1m26 n GLY 121 Ca -0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 0.50 -4.61 1.61 0.99 -1.95 0.50 116.97 114.02 1m26 h TYR 122 Ca 0.00 -0.21 -0.34 0.00 2.00 0.00 0.00 58.73 60.18 1m26 h TYR 122 Cb 0.00 -0.08 -0.14 0.00 1.00 0.00 0.00 36.73 37.51 1m26 h TYR 122 CO 0.00 0.95 -0.57 -1.58 -0.00 0.00 0.00 178.16 176.96 1m26 s TRP 123 N -3.68 1.41 -0.21 4.88 0.51 -1.26 -4.49 118.94 116.11 1m26 s TRP 123 Ca -0.05 -1.47 -0.29 0.00 -2.12 0.00 0.00 56.10 52.17 1m26 s TRP 123 Cb 0.11 -0.65 -0.04 0.00 -0.81 0.00 0.00 33.47 32.08 1m26 s TRP 123 CO 0.83 -0.70 1.88 -1.17 -0.51 0.00 0.00 176.95 177.29 1m26 s LEU 124 N -3.26 3.74 -0.04 2.99 2.96 -0.25 -4.39 118.68 120.44 1m26 s LEU 124 Ca 0.39 1.77 -0.25 0.00 -0.22 0.00 0.00 54.13 55.82 1m26 s LEU 124 Cb 0.05 -3.52 -0.21 0.00 0.50 0.00 0.00 46.19 43.01 1m26 s LEU 124 CO 0.18 -1.54 1.14 0.44 -1.32 0.00 0.00 176.35 175.25 1m26 h ASP 125 N 12.49 0.11 -5.17 3.68 3.32 -0.84 0.36 116.42 130.36 1m26 h ASP 125 Ca -0.38 -0.64 0.16 0.00 0.02 0.00 0.00 57.03 56.19 1m26 h ASP 125 Cb 1.19 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 40.62 1m26 h ASP 125 CO 0.99 0.73 0.47 -0.72 -1.72 0.00 0.00 179.24 178.99 1m26 s TYR 126 N -3.67 -0.18 0.06 4.55 -0.85 -1.23 -4.19 117.35 111.84 1m26 s TYR 126 Ca -0.16 -0.09 -0.23 0.00 -0.52 0.00 0.00 57.07 56.07 1m26 s TYR 126 Cb 0.01 0.62 0.05 0.00 0.38 0.00 0.00 41.96 43.03 1m26 s TYR 126 CO 0.70 -0.78 0.53 -0.59 -1.52 0.00 0.00 175.55 173.89 1m26 s PHE 127 N -3.28 -0.44 0.23 -3.49 -0.71 -1.26 -2.13 117.98 106.90 1m26 s PHE 127 Ca 0.10 0.47 0.04 0.00 -1.04 0.00 0.00 56.93 56.50 1m26 s PHE 127 Cb -0.01 0.37 -0.05 0.00 -1.21 0.00 0.00 43.02 42.11 1m26 s PHE 127 CO -0.00 -0.67 -0.01 -1.12 -1.34 0.00 0.00 175.22 172.08 1m26 s SER 128 N -2.06 1.88 -0.01 1.98 0.01 0.35 -4.96 113.70 110.89 1m26 s SER 128 Ca -0.04 -1.20 0.03 0.00 1.31 0.00 0.00 55.95 56.04 1m26 s SER 128 Cb -0.01 -0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.22 1m26 s SER 128 CO -0.03 -0.49 -0.09 -0.04 0.41 0.00 0.00 173.24 173.00 1m26 s MET 129 N -3.85 0.77 -0.00 12.44 -1.94 -1.26 -2.34 119.30 123.12 1m26 s MET 129 Ca 0.28 -0.31 -0.23 0.00 -1.71 0.00 0.00 55.69 53.71 1m26 s MET 129 Cb 0.05 -0.74 -0.05 0.00 2.01 0.00 0.00 34.83 36.11 1m26 s MET 129 CO 0.08 0.17 0.69 0.71 -0.01 0.00 0.00 175.02 176.67 1m26 s TYR 130 N -0.12 3.67 0.03 -0.03 1.51 -0.15 -4.98 117.35 117.29 1m26 s TYR 130 Ca 0.02 1.33 0.09 0.00 -1.01 0.00 0.00 57.07 57.49 1m26 s TYR 130 Cb -0.05 -2.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1m26 s TYR 130 CO -0.00 0.24 -0.26 -0.51 -1.11 0.00 0.00 175.55 173.92 1m26 s LEU 131 N 0.14 2.15 0.27 -1.29 1.43 -1.26 -0.77 118.68 119.35 1m26 s LEU 131 Ca 0.36 -0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 1m26 s LEU 131 Cb -0.19 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.78 1m26 s LEU 131 CO 0.20 0.26 0.61 -0.55 0.23 0.00 0.00 176.35 177.10 1m26 s SER 132 N -1.12 -0.18 0.00 2.29 0.15 -0.26 -4.93 113.70 109.65 1m26 s SER 132 Ca 0.11 -0.77 0.26 0.00 0.70 0.00 0.00 55.95 56.25 1m26 s SER 132 Cb -0.10 0.67 0.63 0.00 -1.71 0.00 0.00 66.02 65.50 1m26 s SER 132 CO 0.01 -1.26 1.51 0.18 1.20 0.00 0.00 173.24 174.88