#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rov s ARG 2 N 0.00 3.49 -0.69 1.43 3.00 -1.26 -4.97 118.95 119.95 2rov s ARG 2 Ca 0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 55.73 55.08 2rov s ARG 2 Cb 0.00 -2.91 -0.18 0.00 0.00 0.00 0.00 34.95 31.86 2rov s ARG 2 CO 0.00 0.48 1.89 -0.11 0.00 0.00 0.00 175.30 177.56 2rov n LEU 3 N -0.42 3.69 -4.78 2.53 7.94 -1.19 -4.80 117.00 119.97 2rov n LEU 3 Ca -0.05 -2.74 -0.24 0.00 -1.11 0.00 0.00 56.01 51.87 2rov n LEU 3 Cb 0.53 -1.06 -0.06 0.00 0.53 0.00 0.00 43.42 43.36 2rov n LEU 3 CO 0.49 -0.61 -0.11 -1.83 -1.11 0.00 0.00 177.39 174.22 2rov s GLU 4 N 5.29 2.31 0.00 1.96 -1.05 -1.26 -2.11 118.70 123.84 2rov s GLU 4 Ca 0.59 -1.77 0.00 0.00 -0.15 0.00 0.00 54.97 53.64 2rov s GLU 4 Cb 0.14 -2.09 0.00 0.00 -0.44 0.00 0.00 34.13 31.74 2rov s GLU 4 CO 0.15 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.61 2rov n GLY 5 N -1.34 -0.03 3.12 -3.83 0.00 -0.27 -4.96 105.19 97.87 2rov n GLY 5 Ca 0.00 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 2rov n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rov s TRP 6 N -4.00 2.44 0.13 1.61 0.52 -1.26 -0.73 118.94 117.65 2rov s TRP 6 Ca 0.00 -1.26 0.11 0.00 0.02 0.00 0.00 56.10 54.97 2rov s TRP 6 Cb 0.00 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 2rov s TRP 6 CO 0.00 -0.61 -0.27 -0.51 0.02 0.00 0.00 176.95 175.59 2rov s LEU 7 N 0.99 2.32 -0.08 2.99 1.43 -0.59 -4.75 118.68 120.99 2rov s LEU 7 Ca -0.04 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 2rov s LEU 7 Cb -0.15 -1.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 2rov s LEU 7 CO -0.04 0.17 0.29 -0.44 0.23 0.00 0.00 176.35 176.56 2rov s SER 8 N -2.05 6.57 0.16 2.29 0.01 0.68 0.22 113.70 121.59 2rov s SER 8 Ca 0.13 0.68 0.10 0.00 1.31 0.00 0.00 55.95 58.18 2rov s SER 8 Cb -0.10 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 2rov s SER 8 CO 0.06 0.28 -0.23 -0.76 0.41 0.00 0.00 173.24 173.00 2rov s LEU 9 N -0.60 2.39 -0.38 2.44 1.02 -0.93 0.92 118.68 123.54 2rov s LEU 9 Ca 0.19 -0.81 -0.27 0.00 0.02 0.00 0.00 54.13 53.26 2rov s LEU 9 Cb -0.14 -1.08 -0.06 0.00 0.02 0.00 0.00 46.19 44.93 2rov s LEU 9 CO 0.08 0.10 2.33 -2.16 0.02 0.00 0.00 176.35 176.71 2rov s PRO 10 N -2.45 2.52 0.53 1.29 0.04 -1.26 -2.61 135.00 133.06 2rov s PRO 10 Ca 0.16 1.66 0.08 0.00 0.04 0.00 0.00 61.00 62.94 2rov s PRO 10 Cb -0.08 -4.50 0.05 0.00 0.04 0.00 0.00 34.50 30.01 2rov s PRO 10 CO 0.08 -2.80 0.60 0.14 0.04 0.00 0.00 177.00 175.05 2rov s VAL 11 N 10.62 2.12 0.00 -0.36 -7.23 -0.91 -4.97 120.40 119.66 2rov s VAL 11 Ca 0.99 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 2rov s VAL 11 Cb -0.24 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2rov s VAL 11 CO 0.30 0.00 0.63 -2.11 -0.31 0.00 0.00 175.10 173.61 2rov n ARG 12 N -1.97 0.82 0.00 4.82 1.85 -1.26 -2.44 116.66 118.47 2rov n ARG 12 Ca 0.08 -0.77 0.00 0.00 -1.00 0.00 0.00 57.85 56.16 2rov n ARG 12 Cb 0.62 -0.64 0.00 0.00 -1.05 0.00 0.00 32.46 31.39 2rov n ARG 12 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2rov n ASN 13 N -0.14 0.00 -0.05 2.89 3.02 -1.26 -1.84 115.26 117.89 2rov n ASN 13 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 2rov n ASN 13 Cb 0.43 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 2rov n ASN 13 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2rov n ASN 14 N 1.70 1.02 0.00 6.41 0.23 -1.26 -5.07 115.26 118.29 2rov n ASN 14 Ca 0.00 0.17 0.00 0.00 -0.53 0.00 0.00 54.58 54.22 2rov n ASN 14 Cb 0.00 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.30 2rov n ASN 14 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2rov n THR 15 N -3.64 0.00 0.07 5.53 5.66 -0.77 -4.98 114.28 116.15 2rov n THR 15 Ca -0.18 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.61 2rov n THR 15 Cb 0.54 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.18 2rov n THR 15 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2rov h LYS 16 N 0.00 0.43 -7.55 1.09 1.57 -1.98 -3.47 116.57 106.66 2rov h LYS 16 Ca 0.00 -0.64 -0.45 0.00 -1.87 0.00 0.00 60.65 57.68 2rov h LYS 16 Cb 0.00 0.23 0.13 0.00 0.08 0.00 0.00 32.23 32.66 2rov h LYS 16 CO 0.00 1.29 0.31 0.15 -0.57 0.00 0.00 179.45 180.63 2rov s LYS 17 N -2.69 1.18 -0.11 3.15 -0.14 -1.26 -5.09 119.74 114.78 2rov s LYS 17 Ca -0.12 -0.56 -0.33 0.00 -1.36 0.00 0.00 55.97 53.60 2rov s LYS 17 Cb 0.03 -2.03 0.13 0.00 -1.68 0.00 0.00 37.83 34.28 2rov s LYS 17 CO 0.87 -1.96 1.26 -0.59 -0.76 0.00 0.00 175.35 174.17 2rov s PHE 18 N -3.59 -0.08 0.00 3.18 -0.12 -1.26 -4.05 117.98 112.07 2rov s PHE 18 Ca 0.70 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 57.58 2rov s PHE 18 Cb -0.05 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 2rov s PHE 18 CO 0.49 -0.23 0.00 0.41 -0.05 0.00 0.00 175.22 175.85 2rov n GLY 19 N -0.29 -0.45 3.27 1.99 0.00 -1.02 -4.92 105.19 103.77 2rov n GLY 19 Ca -0.04 0.38 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 2rov n GLY 19 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rov s TRP 20 N 0.00 1.51 -0.13 1.61 0.52 -1.26 -2.14 118.94 119.06 2rov s TRP 20 Ca 0.00 -0.53 -0.04 0.00 0.02 0.00 0.00 56.10 55.55 2rov s TRP 20 Cb 0.00 -0.78 0.06 0.00 -1.15 0.00 0.00 33.47 31.60 2rov s TRP 20 CO 0.00 0.19 0.17 0.54 0.02 0.00 0.00 176.95 177.88 2rov s VAL 21 N -2.11 -0.27 -0.37 4.03 0.11 -1.07 -4.86 120.40 115.86 2rov s VAL 21 Ca 0.11 0.18 -0.29 0.00 -2.93 0.00 0.00 61.98 59.05 2rov s VAL 21 Cb -0.05 -0.43 -0.00 0.00 -1.53 0.00 0.00 36.38 34.37 2rov s VAL 21 CO 0.04 0.02 1.59 -0.54 -3.33 0.00 0.00 175.10 172.87 2rov s LYS 22 N 2.29 3.47 -0.03 1.54 1.02 -1.25 -2.19 119.74 124.59 2rov s LYS 22 Ca 0.04 1.17 0.01 0.00 0.02 0.00 0.00 55.97 57.21 2rov s LYS 22 Cb -0.13 -4.10 -0.03 0.00 -0.52 0.00 0.00 37.83 33.04 2rov s LYS 22 CO -0.08 -1.69 -0.02 0.15 -0.92 0.00 0.00 175.35 172.80 2rov s LYS 23 N 5.25 2.81 -0.56 1.68 -0.14 0.13 -4.78 119.74 124.13 2rov s LYS 23 Ca 0.70 -0.56 -0.27 0.00 -1.36 0.00 0.00 55.97 54.48 2rov s LYS 23 Cb -0.18 -2.67 -0.01 0.00 -1.68 0.00 0.00 37.83 33.29 2rov s LYS 23 CO 0.33 0.65 1.67 -0.47 -0.76 0.00 0.00 175.35 176.78 2rov s TYR 24 N -0.98 1.92 -0.24 3.18 5.04 -1.09 -1.54 117.35 123.64 2rov s TYR 24 Ca 0.16 0.61 -0.08 0.00 -2.44 0.00 0.00 57.07 55.32 2rov s TYR 24 Cb -0.11 -4.23 -0.04 0.00 0.35 0.00 0.00 41.96 37.94 2rov s TYR 24 CO 0.06 -2.29 0.09 0.08 -1.34 0.00 0.00 175.55 172.15 2rov s VAL 25 N 7.59 4.59 -0.21 3.14 1.01 0.09 -0.47 120.40 136.15 2rov s VAL 25 Ca 0.62 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2rov s VAL 25 Cb -0.13 -3.13 0.04 0.00 0.00 0.00 0.00 36.38 33.16 2rov s VAL 25 CO 0.23 0.35 -0.13 -0.63 0.00 0.00 0.00 175.10 174.93 2rov s ILE 26 N 1.34 1.85 -0.32 2.22 1.01 -0.57 -1.12 121.20 125.62 2rov s ILE 26 Ca 0.05 -1.13 -0.22 0.00 0.00 0.00 0.00 60.65 59.35 2rov s ILE 26 Cb -0.15 -1.87 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 2rov s ILE 26 CO 0.04 0.21 0.74 -0.69 0.00 0.00 0.00 174.94 175.24 2rov s VAL 27 N 1.31 4.83 0.45 2.92 1.01 -0.90 -0.75 120.40 129.26 2rov s VAL 27 Ca -0.02 1.02 0.04 0.00 0.00 0.00 0.00 61.98 63.03 2rov s VAL 27 Cb -0.16 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2rov s VAL 27 CO -0.09 -0.25 0.63 -0.55 0.00 0.00 0.00 175.10 174.85 2rov s SER 28 N 1.66 5.65 -0.19 3.32 0.15 0.34 -3.18 113.70 121.45 2rov s SER 28 Ca 0.30 -0.09 -0.28 0.00 0.70 0.00 0.00 55.95 56.58 2rov s SER 28 Cb -0.14 -1.04 -0.05 0.00 -1.71 0.00 0.00 66.02 63.07 2rov s SER 28 CO 0.13 -0.79 2.20 -0.44 1.20 0.00 0.00 173.24 175.54 2rov s SER 29 N -4.30 5.56 -1.42 5.45 0.01 -1.26 -1.40 113.70 116.34 2rov s SER 29 Ca 0.52 1.99 -0.02 0.00 1.31 0.00 0.00 55.95 59.75 2rov s SER 29 Cb -0.10 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2rov s SER 29 CO 0.35 -1.86 0.21 0.29 0.41 0.00 0.00 173.24 172.64 2rov n LYS 30 N 8.63 -2.52 -3.62 12.44 5.02 -1.26 -4.97 118.16 131.87 2rov n LYS 30 Ca 0.29 0.82 -0.10 0.00 -2.02 0.00 0.00 58.31 57.30 2rov n LYS 30 Cb 0.45 -5.32 -0.06 0.00 -0.02 0.00 0.00 35.03 30.07 2rov n LYS 30 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2rov s LYS 31 N -5.14 0.53 -0.16 1.97 2.47 -0.49 -4.27 119.74 114.65 2rov s LYS 31 Ca 0.10 0.43 0.00 0.00 -1.56 0.00 0.00 55.97 54.94 2rov s LYS 31 Cb -0.05 0.26 -0.00 0.00 -1.46 0.00 0.00 37.83 36.58 2rov s LYS 31 CO 0.13 -0.11 -0.15 0.42 0.16 0.00 0.00 175.35 175.80 2rov s ILE 32 N -0.25 2.64 0.05 5.43 1.01 0.66 0.13 121.20 130.87 2rov s ILE 32 Ca 0.01 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.93 2rov s ILE 32 Cb -0.03 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2rov s ILE 32 CO -0.04 0.51 -0.02 -0.76 0.00 0.00 0.00 174.94 174.64 2rov s LEU 33 N 0.90 3.39 -0.07 2.97 1.43 0.07 -0.04 118.68 127.32 2rov s LEU 33 Ca -0.04 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2rov s LEU 33 Cb -0.15 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.06 2rov s LEU 33 CO -0.01 0.23 -0.01 0.12 0.23 0.00 0.00 176.35 176.90 2rov s PHE 34 N -1.17 0.75 0.46 0.29 2.19 0.18 -1.52 117.98 119.16 2rov s PHE 34 Ca 0.22 -0.23 0.02 0.00 0.33 0.00 0.00 56.93 57.27 2rov s PHE 34 Cb -0.11 -0.81 -0.01 0.00 -1.31 0.00 0.00 43.02 40.78 2rov s PHE 34 CO 0.13 -0.32 0.08 0.66 1.83 0.00 0.00 175.22 177.61 2rov n TYR 35 N 4.89 0.60 -0.03 10.12 4.02 0.39 0.46 117.16 137.60 2rov n TYR 35 Ca -0.11 -2.59 -0.01 0.00 -0.01 0.00 0.00 57.90 55.17 2rov n TYR 35 Cb 0.50 -0.15 -0.07 0.00 -0.02 0.00 0.00 39.34 39.60 2rov n TYR 35 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2rov n ASP 36 N -1.42 2.81 -3.77 7.72 5.68 -1.26 -2.66 116.55 123.65 2rov n ASP 36 Ca -0.13 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.09 2rov n ASP 36 Cb 0.63 0.94 -0.02 0.00 -1.14 0.00 0.00 41.12 41.53 2rov n ASP 36 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2rov s SER 37 N -3.78 -0.31 0.20 -1.12 0.01 -1.26 -4.39 113.70 103.04 2rov s SER 37 Ca -0.04 -0.48 -0.08 0.00 1.31 0.00 0.00 55.95 56.66 2rov s SER 37 Cb 0.04 0.69 0.11 0.00 0.21 0.00 0.00 66.02 67.07 2rov s SER 37 CO 0.37 -1.24 1.66 -0.08 0.41 0.00 0.00 173.24 174.36 2rov h GLU 38 N 2.00 1.02 -0.28 12.44 4.81 -1.98 -2.45 114.58 130.14 2rov h GLU 38 Ca -0.22 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2rov h GLU 38 Cb 1.26 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2rov h GLU 38 CO 0.26 1.01 0.14 1.96 -0.73 0.00 0.00 179.01 181.65 2rov h GLN 39 N 0.93 0.29 -0.06 1.92 4.20 -2.00 -1.81 115.11 118.58 2rov h GLN 39 Ca 0.16 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 2rov h GLN 39 Cb 0.57 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2rov h GLN 39 CO 0.03 0.19 -0.16 -0.44 -0.67 0.00 0.00 178.83 177.79 2rov h ASP 40 N 0.30 0.09 -0.24 1.46 3.32 -1.92 -2.75 116.42 116.68 2rov h ASP 40 Ca 0.11 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2rov h ASP 40 Cb 0.02 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2rov h ASP 40 CO -0.07 0.26 0.08 0.50 -1.72 0.00 0.00 179.24 178.29 2rov h LYS 41 N 0.09 0.37 -0.08 3.56 3.11 -0.86 -2.48 116.57 120.29 2rov h LYS 41 Ca 0.02 -0.08 0.02 0.00 -2.81 0.00 0.00 60.65 57.80 2rov h LYS 41 Cb 0.34 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.51 2rov h LYS 41 CO 0.02 0.45 0.06 0.93 -2.81 0.00 0.00 179.45 178.11 2rov h GLU 42 N 0.22 0.00 0.00 1.90 5.08 -1.11 0.15 114.58 120.82 2rov h GLU 42 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2rov h GLU 42 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2rov h GLU 42 CO -0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 2rov n GLN 43 N -4.26 0.72 -2.72 2.33 1.13 -0.96 -4.89 117.38 108.74 2rov n GLN 43 Ca -0.01 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 2rov n GLN 43 Cb 0.17 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.04 2rov n GLN 43 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2rov n SER 44 N -1.13 -5.17 -4.17 1.08 7.64 0.51 -4.96 113.62 107.43 2rov n SER 44 Ca 0.19 -0.17 -0.38 0.00 1.01 0.00 0.00 58.87 59.52 2rov n SER 44 Cb 0.17 -4.08 -0.05 0.00 -1.01 0.00 0.00 64.21 59.23 2rov n SER 44 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2rov s ASN 45 N -2.62 6.29 -0.18 6.43 3.04 -1.09 -5.05 114.94 121.76 2rov s ASN 45 Ca 0.18 -3.63 -0.29 0.00 0.04 0.00 0.00 52.86 49.15 2rov s ASN 45 Cb -0.08 -1.98 -0.03 0.00 -1.54 0.00 0.00 41.25 37.62 2rov s ASN 45 CO 0.22 -0.22 1.51 -2.16 -3.04 0.00 0.00 177.10 173.41 2rov s PRO 46 N -1.24 3.98 0.51 0.43 0.04 -1.26 -4.73 135.00 132.73 2rov s PRO 46 Ca 0.28 1.73 0.15 0.00 0.04 0.00 0.00 61.00 63.20 2rov s PRO 46 Cb -0.08 -3.95 1.23 0.00 0.04 0.00 0.00 34.50 31.73 2rov s PRO 46 CO -0.11 -1.06 2.13 -0.92 0.04 0.00 0.00 177.00 177.09 2rov h TYR 47 N 9.78 0.06 -1.51 0.56 3.20 -0.34 -3.43 116.97 125.29 2rov h TYR 47 Ca -0.32 0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.66 2rov h TYR 47 Cb 1.14 -0.02 -0.27 0.00 1.54 0.00 0.00 36.73 39.12 2rov h TYR 47 CO 0.88 0.04 0.43 1.41 -1.64 0.00 0.00 178.16 179.27 2rov s MET 48 N -5.12 0.38 -0.03 1.82 0.00 -0.69 -5.00 119.30 110.65 2rov s MET 48 Ca -0.05 0.61 0.05 0.00 0.00 0.00 0.00 55.69 56.29 2rov s MET 48 Cb 0.17 0.10 -0.01 0.00 0.00 0.00 0.00 34.83 35.09 2rov s MET 48 CO 0.68 -0.07 -0.19 0.54 0.00 0.00 0.00 175.02 175.98 2rov s VAL 49 N 1.09 1.51 0.21 10.11 0.11 -1.26 0.48 120.40 132.65 2rov s VAL 49 Ca -0.06 -0.79 0.11 0.00 -2.93 0.00 0.00 61.98 58.31 2rov s VAL 49 Cb -0.04 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.49 2rov s VAL 49 CO -0.13 0.43 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.09 2rov s LEU 50 N -0.18 2.47 -0.34 2.54 1.43 0.94 -4.97 118.68 120.57 2rov s LEU 50 Ca 0.01 -0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 2rov s LEU 50 Cb -0.10 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 2rov s LEU 50 CO 0.01 0.06 0.39 -1.81 0.23 0.00 0.00 176.35 175.23 2rov s ASP 51 N -2.87 6.20 0.33 2.29 1.11 -1.26 -0.24 116.67 122.23 2rov s ASP 51 Ca 0.22 -0.19 0.06 0.00 0.18 0.00 0.00 52.55 52.82 2rov s ASP 51 Cb -0.07 -2.21 0.73 0.00 1.07 0.00 0.00 42.92 42.45 2rov s ASP 51 CO 0.10 -0.36 1.87 0.40 1.18 0.00 0.00 175.17 178.36 2rov h ILE 52 N 5.55 0.87 0.00 0.77 2.04 -1.89 0.13 117.51 124.98 2rov h ILE 52 Ca -0.29 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.22 2rov h ILE 52 Cb 1.14 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2rov h ILE 52 CO 0.71 0.14 -0.36 -0.78 0.00 0.00 0.00 178.15 177.86 2rov h ASP 53 N 0.79 0.00 1.37 1.72 3.58 -1.93 -2.46 116.42 119.49 2rov h ASP 53 Ca 0.45 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.90 2rov h ASP 53 Cb 0.62 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.67 2rov h ASP 53 CO -0.22 0.36 -0.03 0.11 -2.88 0.00 0.00 179.24 176.59 2rov h LYS 54 N 0.00 0.00 -6.73 0.28 1.57 -1.13 -3.46 116.57 107.09 2rov h LYS 54 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.22 2rov h LYS 54 Cb 0.71 0.00 0.19 0.00 0.08 0.00 0.00 32.23 33.21 2rov h LYS 54 CO 0.05 0.03 -0.35 1.28 -0.57 0.00 0.00 179.45 179.88 2rov n LEU 55 N -3.12 1.04 -0.03 2.94 4.77 -0.93 -2.16 117.00 119.52 2rov n LEU 55 Ca 0.02 0.55 -0.04 0.00 -0.03 0.00 0.00 56.01 56.50 2rov n LEU 55 Cb 0.40 -1.24 -0.03 0.00 -2.33 0.00 0.00 43.42 40.21 2rov n LEU 55 CO 0.30 -3.05 -0.72 0.49 -1.33 0.00 0.00 177.39 173.08 2rov n PHE 56 N -2.66 0.00 -3.65 -1.77 3.72 0.04 -4.81 117.46 108.33 2rov n PHE 56 Ca 0.10 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.51 2rov n PHE 56 Cb 0.51 -0.27 -0.06 0.00 -0.94 0.00 0.00 39.48 38.71 2rov n PHE 56 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2rov s HIS 57 N -2.14 -0.05 -0.14 1.38 2.46 -1.25 -5.02 115.29 110.53 2rov s HIS 57 Ca -0.08 0.11 0.01 0.00 0.47 0.00 0.00 55.06 55.56 2rov s HIS 57 Cb 0.02 0.17 -0.00 0.00 -0.13 0.00 0.00 32.58 32.64 2rov s HIS 57 CO 0.17 -0.02 -0.17 0.08 -2.47 0.00 0.00 174.74 172.33 2rov s VAL 58 N 0.73 2.53 0.08 0.89 1.01 -1.26 -2.10 120.40 122.29 2rov s VAL 58 Ca -0.03 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 2rov s VAL 58 Cb -0.03 -2.05 0.06 0.00 0.00 0.00 0.00 36.38 34.36 2rov s VAL 58 CO -0.11 0.53 0.57 -0.13 0.00 0.00 0.00 175.10 175.95 2rov s ARG 59 N 0.72 1.13 0.73 2.72 0.52 -0.88 -4.98 118.95 118.91 2rov s ARG 59 Ca -0.08 -0.28 -0.15 0.00 -0.52 0.00 0.00 55.73 54.71 2rov s ARG 59 Cb -0.16 0.52 0.04 0.00 0.52 0.00 0.00 34.95 35.87 2rov s ARG 59 CO 0.01 -0.44 1.19 -1.25 0.02 0.00 0.00 175.30 174.83 2rov s PRO 60 N -2.84 2.16 0.32 3.54 0.04 -1.26 -1.47 135.00 135.49 2rov s PRO 60 Ca -0.03 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.75 2rov s PRO 60 Cb -0.00 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 2rov s PRO 60 CO -0.05 -1.81 0.47 0.14 0.04 0.00 0.00 177.00 175.80 2rov s VAL 61 N -2.07 4.61 0.49 -0.36 -7.23 -0.58 -4.74 120.40 110.53 2rov s VAL 61 Ca 0.73 -0.84 0.04 0.00 -1.81 0.00 0.00 61.98 60.10 2rov s VAL 61 Cb -0.28 -3.64 0.04 0.00 0.56 0.00 0.00 36.38 33.07 2rov s VAL 61 CO 0.46 -0.30 0.37 0.35 -0.31 0.00 0.00 175.10 175.66 2rov n THR 62 N -1.65 0.00 0.28 5.32 -2.24 -1.26 -4.63 114.28 110.11 2rov n THR 62 Ca -0.04 -1.97 0.16 0.00 -2.27 0.00 0.00 64.05 59.94 2rov n THR 62 Cb 0.57 -0.07 0.80 0.00 -2.10 0.00 0.00 70.33 69.54 2rov n THR 62 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2rov h GLN 63 N 0.00 0.00 0.00 -0.78 5.75 -1.93 -1.54 115.11 116.61 2rov h GLN 63 Ca -0.31 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.06 2rov h GLN 63 Cb 1.15 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 2rov h GLN 63 CO 0.49 0.00 -0.61 1.79 -2.65 0.00 0.00 178.83 177.85 2rov h THR 64 N 0.00 1.20 0.00 2.39 1.35 -2.02 -3.13 112.91 112.70 2rov h THR 64 Ca 0.00 -2.30 -0.03 0.00 -0.55 0.00 0.00 66.41 63.52 2rov h THR 64 Cb 0.16 2.33 -0.00 0.00 -1.73 0.00 0.00 68.15 68.90 2rov h THR 64 CO 0.00 0.60 -0.17 -0.78 -0.25 0.00 0.00 175.52 174.93 2rov h ASP 65 N 0.00 0.00 -4.69 5.36 3.58 -1.66 -3.45 116.42 115.56 2rov h ASP 65 Ca -0.01 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 2rov h ASP 65 Cb 1.28 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.22 2rov h ASP 65 CO 0.08 0.17 -0.44 1.33 -2.88 0.00 0.00 179.24 177.50 2rov n VAL 66 N -3.69 0.00 0.00 2.25 0.24 -1.18 -5.05 118.33 110.90 2rov n VAL 66 Ca -0.02 -2.25 0.00 0.00 -2.04 0.00 0.00 64.34 60.03 2rov n VAL 66 Cb 0.29 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 2rov n VAL 66 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rov n TYR 67 N -0.70 -0.56 0.19 6.34 4.11 -1.26 -4.86 117.16 120.42 2rov n TYR 67 Ca 0.02 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 57.99 2rov n TYR 67 Cb 0.57 0.35 0.32 0.00 -0.00 0.00 0.00 39.34 40.58 2rov n TYR 67 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.86 176.93 2rov h ARG 68 N 0.00 0.00 0.00 -3.48 -0.00 -1.98 -3.45 114.38 105.47 2rov h ARG 68 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2rov h ARG 68 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2rov h ARG 68 CO 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 179.97 180.30 2rov n ALA 69 N -2.25 0.00 -2.47 0.08 0.00 -1.26 -5.03 120.51 109.57 2rov n ALA 69 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.19 2rov n ALA 69 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 2rov n ALA 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2rov s ASP 70 N -1.86 2.32 0.57 0.00 -1.08 -1.26 -5.01 116.67 110.34 2rov s ASP 70 Ca 0.00 -0.42 0.32 0.00 -0.52 0.00 0.00 52.55 51.93 2rov s ASP 70 Cb 0.00 -0.23 1.44 0.00 -1.46 0.00 0.00 42.92 42.67 2rov s ASP 70 CO 0.00 0.20 1.79 0.00 0.52 0.00 0.00 175.17 177.68 2rov h ALA 71 N 5.33 2.71 0.00 3.66 0.00 -1.96 0.80 119.26 129.80 2rov h ALA 71 Ca -0.40 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 2rov h ALA 71 Cb 1.15 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2rov h ALA 71 CO 0.46 -1.17 -0.93 0.87 0.00 0.00 0.00 179.25 178.48 2rov h LYS 72 N 0.00 0.00 0.07 0.00 1.57 -2.03 -3.29 116.57 112.89 2rov h LYS 72 Ca 0.40 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.94 2rov h LYS 72 Cb 1.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.16 2rov h LYS 72 CO -0.00 0.93 -1.12 0.93 -0.57 0.00 0.00 179.45 179.62 2rov h GLU 73 N 0.00 0.16 -0.58 3.15 4.39 0.15 -3.35 114.58 118.50 2rov h GLU 73 Ca -0.01 -0.27 0.11 0.00 0.34 0.00 0.00 59.36 59.53 2rov h GLU 73 Cb 1.68 0.10 -0.11 0.00 -0.10 0.00 0.00 28.75 30.32 2rov h GLU 73 CO 0.12 1.11 -0.29 0.82 -1.16 0.00 0.00 179.01 179.61 2rov h ILE 74 N 0.05 0.22 0.00 3.13 1.08 -1.17 0.44 117.51 121.25 2rov h ILE 74 Ca -0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2rov h ILE 74 Cb 1.85 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2rov h ILE 74 CO 0.17 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.82 2rov n PRO 75 N -5.44 0.10 -0.15 2.37 -0.04 -1.26 -1.63 135.00 128.96 2rov n PRO 75 Ca 0.05 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 64.06 2rov n PRO 75 Cb 0.35 -1.73 0.18 0.00 -0.04 0.00 0.00 33.50 32.27 2rov n PRO 75 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rov n ARG 76 N -1.91 2.35 -4.65 0.54 1.74 0.15 -4.79 116.66 110.08 2rov n ARG 76 Ca 0.01 -2.14 -0.33 0.00 -0.77 0.00 0.00 57.85 54.62 2rov n ARG 76 Cb 0.13 -1.47 -0.13 0.00 -1.02 0.00 0.00 32.46 29.97 2rov n ARG 76 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2rov s ILE 77 N -1.48 3.43 0.05 0.55 1.01 -0.64 0.50 121.20 124.62 2rov s ILE 77 Ca 0.34 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.50 2rov s ILE 77 Cb 0.21 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 2rov s ILE 77 CO 0.29 0.54 -0.14 0.72 0.00 0.00 0.00 174.94 176.35 2rov s PHE 78 N -0.03 1.19 -0.02 3.97 -0.71 -0.92 -1.52 117.98 119.94 2rov s PHE 78 Ca -0.01 -0.39 0.04 0.00 -1.04 0.00 0.00 56.93 55.53 2rov s PHE 78 Cb -0.14 -0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 40.95 2rov s PHE 78 CO 0.03 0.04 -0.12 -1.14 -1.34 0.00 0.00 175.22 172.69 2rov s GLN 79 N -1.32 2.44 -0.19 1.99 0.74 -0.54 -1.71 119.66 121.07 2rov s GLN 79 Ca 0.00 -0.75 0.01 0.00 0.05 0.00 0.00 55.36 54.67 2rov s GLN 79 Cb -0.08 -2.39 0.04 0.00 1.10 0.00 0.00 33.01 31.68 2rov s GLN 79 CO 0.01 0.60 -0.11 0.42 -0.55 0.00 0.00 175.29 175.67 2rov s ILE 80 N -0.85 1.64 0.13 -2.34 1.01 -0.75 -2.08 121.20 117.96 2rov s ILE 80 Ca 0.14 -0.97 -0.21 0.00 0.00 0.00 0.00 60.65 59.61 2rov s ILE 80 Cb -0.11 -1.69 -0.07 0.00 0.01 0.00 0.00 42.46 40.59 2rov s ILE 80 CO 0.04 0.21 0.66 -0.22 0.00 0.00 0.00 174.94 175.62 2rov s LEU 81 N 1.40 4.52 -0.10 2.97 2.96 -0.89 -1.03 118.68 128.51 2rov s LEU 81 Ca -0.01 1.41 -0.13 0.00 -0.22 0.00 0.00 54.13 55.19 2rov s LEU 81 Cb -0.16 -3.15 0.03 0.00 0.50 0.00 0.00 46.19 43.41 2rov s LEU 81 CO -0.09 0.21 0.34 -0.72 -1.32 0.00 0.00 176.35 174.77 2rov s TYR 82 N -1.20 -0.33 -0.12 5.38 1.13 0.29 -0.78 117.35 121.71 2rov s TYR 82 Ca 0.34 0.77 -0.29 0.00 -1.41 0.00 0.00 57.07 56.47 2rov s TYR 82 Cb -0.20 0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.75 2rov s TYR 82 CO 0.22 -0.23 1.31 0.00 -2.51 0.00 0.00 175.55 174.34 2rov s ALA 83 N -0.17 3.63 -0.25 9.51 0.00 -0.92 -1.45 121.76 132.12 2rov s ALA 83 Ca -0.03 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.44 2rov s ALA 83 Cb -0.03 -3.62 -0.13 0.00 0.00 0.00 0.00 23.12 19.34 2rov s ALA 83 CO 0.01 -1.12 -0.27 0.27 0.00 0.00 0.00 175.76 174.65 2rov n ASN 84 N 6.37 1.97 -0.03 0.00 0.23 -1.26 -4.85 115.26 117.68 2rov n ASN 84 Ca 0.14 0.10 -0.06 0.00 -0.53 0.00 0.00 54.58 54.22 2rov n ASN 84 Cb 0.45 -0.57 -0.03 0.00 -2.08 0.00 0.00 39.78 37.55 2rov n ASN 84 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2rov n GLU 85 N -3.69 0.15 0.00 -3.83 -0.58 -1.26 -5.05 120.64 106.38 2rov n GLU 85 Ca -0.47 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 2rov n GLU 85 Cb 0.91 -0.90 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2rov n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rov n GLY 86 N 2.85 -0.01 1.91 0.62 0.00 -1.26 -5.07 105.19 104.23 2rov n GLY 86 Ca -0.12 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2rov n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2rov n ILE 87 N 0.00 0.04 0.17 -0.61 -0.00 -1.26 -4.76 119.36 112.94 2rov n ILE 87 Ca 0.00 0.01 0.06 0.00 -0.00 0.00 0.00 62.75 62.83 2rov n ILE 87 Cb 0.00 -0.28 0.55 0.00 -0.00 0.00 0.00 39.64 39.91 2rov n ILE 87 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 2rov h SER 88 N 0.00 0.16 1.29 4.38 0.87 -2.00 -0.76 113.55 117.50 2rov h SER 88 Ca 0.00 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2rov h SER 88 Cb 0.00 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2rov h SER 88 CO 0.00 0.14 -0.16 0.28 -0.53 0.00 0.00 176.83 176.56 2rov h SER 89 N 0.19 0.00 -0.77 6.23 0.02 -1.97 -3.46 113.55 113.79 2rov h SER 89 Ca 0.05 0.00 -0.77 0.00 -0.84 0.00 0.00 61.79 60.23 2rov h SER 89 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2rov h SER 89 CO -0.01 0.16 0.69 0.00 -1.14 0.00 0.00 176.83 176.54 2rov n ALA 90 N -2.16 -1.03 -2.19 3.77 0.00 -0.29 -4.70 120.51 113.92 2rov n ALA 90 Ca 0.01 0.41 -0.18 0.00 0.00 0.00 0.00 53.44 53.68 2rov n ALA 90 Cb 0.47 -1.73 0.13 0.00 0.00 0.00 0.00 19.45 18.31 2rov n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2rov n LYS 91 N 3.99 -0.45 -4.23 0.00 4.76 -0.53 -4.71 118.16 116.99 2rov n LYS 91 Ca 0.31 -1.96 -0.13 0.00 -2.87 0.00 0.00 58.31 53.65 2rov n LYS 91 Cb -0.05 -0.79 -0.10 0.00 -1.84 0.00 0.00 35.03 32.25 2rov n LYS 91 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2rov s ASN 92 N -4.57 0.92 -0.12 4.39 6.03 -1.26 -0.55 114.94 119.79 2rov s ASN 92 Ca 0.57 -1.24 -0.00 0.00 -1.03 0.00 0.00 52.86 51.15 2rov s ASN 92 Cb -0.02 0.19 0.03 0.00 -3.03 0.00 0.00 41.25 38.41 2rov s ASN 92 CO 0.39 -0.66 -0.08 -0.22 -2.03 0.00 0.00 177.10 174.50 2rov s LEU 93 N -3.17 1.23 -0.23 3.54 0.20 -0.20 -4.91 118.68 115.13 2rov s LEU 93 Ca 0.28 -0.33 -0.17 0.00 0.69 0.00 0.00 54.13 54.60 2rov s LEU 93 Cb 0.07 -0.86 -0.03 0.00 -0.43 0.00 0.00 46.19 44.93 2rov s LEU 93 CO 0.06 -0.12 0.46 -0.76 -0.29 0.00 0.00 176.35 175.70 2rov s LEU 94 N 1.69 4.10 -0.16 -0.68 2.01 -1.26 -1.81 118.68 122.57 2rov s LEU 94 Ca 0.05 0.52 -0.00 0.00 0.01 0.00 0.00 54.13 54.71 2rov s LEU 94 Cb -0.13 -2.60 0.04 0.00 0.01 0.00 0.00 46.19 43.51 2rov s LEU 94 CO -0.08 -0.19 -0.08 -0.76 1.01 0.00 0.00 176.35 176.25 2rov s LEU 95 N 1.84 1.70 -0.13 1.79 1.43 -0.70 -4.40 118.68 120.21 2rov s LEU 95 Ca 0.20 -0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 52.47 2rov s LEU 95 Cb -0.15 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 2rov s LEU 95 CO 0.09 -0.15 0.56 -0.22 0.23 0.00 0.00 176.35 176.86 2rov s LEU 96 N 1.57 4.24 -0.15 1.79 2.96 0.26 -2.16 118.68 127.20 2rov s LEU 96 Ca 0.01 0.88 -0.08 0.00 -0.22 0.00 0.00 54.13 54.72 2rov s LEU 96 Cb -0.15 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 2rov s LEU 96 CO -0.08 -0.11 0.13 0.00 -1.32 0.00 0.00 176.35 174.98 2rov s ALA 97 N 1.06 3.79 0.60 5.97 0.00 0.18 -0.23 121.76 133.14 2rov s ALA 97 Ca 0.29 -0.66 0.30 0.00 0.00 0.00 0.00 51.96 51.89 2rov s ALA 97 Cb -0.16 -2.05 1.70 0.00 0.00 0.00 0.00 23.12 22.61 2rov s ALA 97 CO 0.12 0.42 2.08 -2.95 0.00 0.00 0.00 175.76 175.43 2rov h ASN 98 N 5.71 0.00 -4.44 0.00 7.08 -1.86 -3.41 115.58 118.66 2rov h ASN 98 Ca -0.49 0.00 -0.31 0.00 -3.08 0.00 0.00 56.30 52.42 2rov h ASN 98 Cb 1.20 0.00 -0.24 0.00 -2.08 0.00 0.00 38.32 37.20 2rov h ASN 98 CO 0.66 0.00 -0.75 -0.55 -2.08 0.00 0.00 177.43 174.71 2rov s SER 99 N -5.52 0.86 0.19 6.14 0.15 -1.26 -5.05 113.70 109.22 2rov s SER 99 Ca -0.04 -0.39 -0.11 0.00 0.70 0.00 0.00 55.95 56.10 2rov s SER 99 Cb 0.14 -0.01 0.19 0.00 -1.71 0.00 0.00 66.02 64.63 2rov s SER 99 CO 0.51 -0.09 1.79 0.74 1.20 0.00 0.00 173.24 177.39 2rov h THR 100 N 4.67 0.96 -0.91 6.45 2.02 -1.87 -2.06 112.91 122.16 2rov h THR 100 Ca -0.33 -0.20 0.14 0.00 0.77 0.00 0.00 66.41 66.79 2rov h THR 100 Cb 1.20 0.33 -0.09 0.00 -1.74 0.00 0.00 68.15 67.84 2rov h THR 100 CO 0.44 0.11 0.53 -0.33 0.37 0.00 0.00 175.52 176.63 2rov h GLU 101 N 0.58 0.75 -0.72 6.66 5.08 -1.96 -0.88 114.58 124.09 2rov h GLU 101 Ca 0.26 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2rov h GLU 101 Cb 0.16 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 2rov h GLU 101 CO -0.17 0.50 0.43 1.49 -1.00 0.00 0.00 179.01 180.25 2rov h GLU 102 N 0.77 0.78 -0.54 2.33 4.81 -1.76 -0.76 114.58 120.20 2rov h GLU 102 Ca 0.48 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.65 2rov h GLU 102 Cb 0.61 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2rov h GLU 102 CO -0.32 0.52 0.25 0.37 -0.73 0.00 0.00 179.01 179.09 2rov h GLN 103 N 0.80 0.76 -0.19 1.92 -0.00 -1.08 0.22 115.11 117.53 2rov h GLN 103 Ca 0.31 -0.10 -0.15 0.00 -0.00 0.00 0.00 58.65 58.71 2rov h GLN 103 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.45 2rov h GLN 103 CO -0.15 0.60 -0.52 1.96 0.00 0.00 0.00 178.83 180.72 2rov h GLN 104 N 0.76 0.54 0.06 1.69 1.08 -0.85 -2.27 115.11 116.12 2rov h GLN 104 Ca 0.19 -0.33 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2rov h GLN 104 Cb 0.10 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2rov h GLN 104 CO -0.02 0.93 -0.03 -0.22 -0.95 0.00 0.00 178.83 178.54 2rov h LYS 105 N 0.42 -0.08 -0.14 1.46 3.64 -0.58 -1.94 116.57 119.36 2rov h LYS 105 Ca 0.01 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2rov h LYS 105 Cb 1.05 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 2rov h LYS 105 CO 0.10 0.53 -0.11 -1.49 -2.27 0.00 0.00 179.45 176.20 2rov h TRP 106 N -0.85 -0.27 -0.06 1.91 4.06 -0.67 0.43 115.95 120.50 2rov h TRP 106 Ca -0.01 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 2rov h TRP 106 Cb 0.64 0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.94 2rov h TRP 106 CO 0.15 -0.17 0.01 0.28 -3.56 0.00 0.00 178.44 175.15 2rov h VAL 107 N -0.12 1.23 -0.44 1.49 2.07 -1.54 -0.19 116.25 118.74 2rov h VAL 107 Ca 0.09 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 2rov h VAL 107 Cb 0.25 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2rov h VAL 107 CO -0.21 0.19 -0.04 -1.28 0.02 0.00 0.00 177.57 176.24 2rov h SER 108 N -0.15 0.72 0.10 0.57 0.87 -1.20 -0.59 113.55 113.87 2rov h SER 108 Ca 0.02 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2rov h SER 108 Cb 0.30 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2rov h SER 108 CO 0.00 0.82 -0.05 0.03 -0.53 0.00 0.00 176.83 177.10 2rov h ARG 109 N 0.69 -0.13 -0.85 2.24 2.47 -0.12 -1.33 114.38 117.35 2rov h ARG 109 Ca 0.13 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.87 2rov h ARG 109 Cb 0.49 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.80 2rov h ARG 109 CO 0.03 0.35 0.56 1.37 0.56 0.00 0.00 179.97 182.84 2rov h LEU 110 N -0.89 0.96 -0.16 3.04 8.10 -1.08 -1.60 115.31 123.69 2rov h LEU 110 Ca -0.01 -0.02 -0.13 0.00 0.11 0.00 0.00 57.88 57.83 2rov h LEU 110 Cb 0.55 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 40.53 2rov h LEU 110 CO 0.02 0.69 -0.40 1.62 -4.11 0.00 0.00 178.44 176.27 2rov h VAL 111 N 1.14 1.35 0.00 0.15 3.04 -1.20 -3.06 116.25 117.66 2rov h VAL 111 Ca 0.32 -1.66 -0.01 0.00 -1.01 0.00 0.00 66.70 64.33 2rov h VAL 111 Cb -0.11 1.99 -0.00 0.00 -2.01 0.00 0.00 31.29 31.16 2rov h VAL 111 CO -0.07 0.51 -0.05 0.11 -1.01 0.00 0.00 177.57 177.05 2rov h LYS 112 N 0.19 0.00 0.00 4.17 1.57 -0.90 -0.80 116.57 120.79 2rov h LYS 112 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2rov h LYS 112 Cb 1.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 2rov h LYS 112 CO 0.09 0.05 -0.07 0.87 -0.57 0.00 0.00 179.45 179.82 2rov h LYS 113 N 0.00 0.00 -6.91 3.15 1.57 -1.23 -3.46 116.57 109.69 2rov h LYS 113 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2rov h LYS 113 Cb 0.10 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.53 2rov h LYS 113 CO 0.01 0.07 0.64 -0.89 -0.57 0.00 0.00 179.45 178.70 2rov n ILE 114 N -3.13 2.50 0.27 1.86 5.41 -0.31 -4.85 119.36 121.10 2rov n ILE 114 Ca 0.03 -0.50 -0.15 0.00 1.00 0.00 0.00 62.75 63.13 2rov n ILE 114 Cb 0.51 -1.77 -0.08 0.00 -0.71 0.00 0.00 39.64 37.60 2rov n ILE 114 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2rov h PRO 115 N 2.39 -0.66 -2.18 0.38 0.11 -1.87 -3.23 132.00 126.94 2rov h PRO 115 Ca -0.49 0.05 -0.49 0.00 0.11 0.00 0.00 66.00 65.17 2rov h PRO 115 Cb 1.27 0.15 -0.13 0.00 0.11 0.00 0.00 31.00 32.40 2rov h PRO 115 CO 0.61 -0.36 0.83 1.63 -0.21 0.00 0.00 178.00 180.51 2rov n LYS 116 N -5.29 2.82 0.00 1.05 4.01 -1.26 -5.17 118.16 114.32 2rov n LYS 116 Ca -0.11 -2.28 0.04 0.00 -0.51 0.00 0.00 58.31 55.44 2rov n LYS 116 Cb 0.32 -2.25 0.21 0.00 -0.51 0.00 0.00 35.03 32.80 2rov n LYS 116 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46