#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rov n ARG 2 N 0.00 0.39 -1.52 1.43 0.00 -1.26 -5.06 116.66 110.64 2rov n ARG 2 Ca 0.00 -2.08 -0.30 0.00 -0.00 0.00 0.00 57.85 55.47 2rov n ARG 2 Cb 0.00 1.86 -0.14 0.00 -0.00 0.00 0.00 32.46 34.18 2rov n ARG 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2rov n LEU 3 N 0.00 0.40 -4.17 2.89 7.94 -1.26 -4.82 117.00 117.99 2rov n LEU 3 Ca 0.03 -0.43 -0.10 0.00 -1.11 0.00 0.00 56.01 54.39 2rov n LEU 3 Cb 0.41 -1.05 -0.10 0.00 0.53 0.00 0.00 43.42 43.20 2rov n LEU 3 CO 0.21 -1.40 -0.33 -1.83 -1.11 0.00 0.00 177.39 172.93 2rov s GLU 4 N 8.27 0.90 0.00 1.96 -1.05 -1.26 -0.04 118.70 127.48 2rov s GLU 4 Ca 1.21 -1.41 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 2rov s GLU 4 Cb -0.75 0.04 0.00 0.00 -0.44 0.00 0.00 34.13 32.97 2rov s GLU 4 CO 0.40 -0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.86 2rov n GLY 5 N -0.09 0.07 3.18 -3.83 0.00 -0.34 -4.99 105.19 99.20 2rov n GLY 5 Ca -0.08 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.43 2.73 0.10 1.61 0.52 -1.26 -0.13 118.94 119.08 2rov s TRP 6 Ca 0.00 -1.36 0.10 0.00 0.02 0.00 0.00 56.10 54.87 2rov s TRP 6 Cb 0.00 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 2rov s TRP 6 CO 0.00 -0.64 -0.26 -0.51 0.02 0.00 0.00 176.95 175.56 2rov s LEU 7 N 0.97 2.26 -0.01 2.99 1.43 -0.56 -4.80 118.68 120.97 2rov s LEU 7 Ca -0.03 -0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 52.19 2rov s LEU 7 Cb -0.15 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 2rov s LEU 7 CO -0.05 0.20 0.54 -0.44 0.23 0.00 0.00 176.35 176.83 2rov s SER 8 N -1.76 6.91 0.21 2.29 0.01 -0.09 0.49 113.70 121.77 2rov s SER 8 Ca 0.13 1.09 0.11 0.00 1.31 0.00 0.00 55.95 58.59 2rov s SER 8 Cb -0.10 -2.33 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 2rov s SER 8 CO 0.05 0.15 -0.22 -0.76 0.41 0.00 0.00 173.24 172.87 2rov s LEU 9 N -0.36 2.48 -0.38 2.44 1.02 -0.84 0.70 118.68 123.73 2rov s LEU 9 Ca 0.29 -0.91 -0.27 0.00 0.02 0.00 0.00 54.13 53.25 2rov s LEU 9 Cb -0.18 -1.09 -0.06 0.00 0.02 0.00 0.00 46.19 44.88 2rov s LEU 9 CO 0.16 0.07 2.30 -2.16 0.02 0.00 0.00 176.35 176.74 2rov s PRO 10 N -2.93 2.56 0.80 1.29 0.04 -1.26 -2.62 135.00 132.88 2rov s PRO 10 Ca 0.23 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.85 2rov s PRO 10 Cb -0.07 -4.48 0.17 0.00 0.04 0.00 0.00 34.50 30.16 2rov s PRO 10 CO 0.11 -2.76 1.10 1.55 0.04 0.00 0.00 177.00 177.03 2rov n VAL 11 N 7.87 0.00 -3.48 -0.36 3.14 -1.22 -4.90 118.33 119.38 2rov n VAL 11 Ca 0.33 -1.42 -0.28 0.00 -2.96 0.00 0.00 64.34 60.02 2rov n VAL 11 Cb 0.51 -1.06 -0.11 0.00 -1.06 0.00 0.00 33.84 32.11 2rov n VAL 11 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2rov s ARG 12 N -5.35 0.95 0.00 1.45 0.52 -1.26 -3.25 118.95 112.01 2rov s ARG 12 Ca 0.69 -1.97 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 2rov s ARG 12 Cb -0.03 -1.61 0.00 0.00 0.52 0.00 0.00 34.95 33.83 2rov s ARG 12 CO 0.47 -1.31 0.43 0.09 0.02 0.00 0.00 175.30 174.99 2rov n ASN 13 N 3.18 0.00 0.02 0.23 3.02 -1.22 -4.63 115.26 115.85 2rov n ASN 13 Ca 0.22 0.50 -0.01 0.00 -0.03 0.00 0.00 54.58 55.26 2rov n ASN 13 Cb 0.43 -0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.40 2rov n ASN 13 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2rov h ASN 14 N 0.00 -0.06 0.00 6.41 2.35 -1.96 -3.49 115.58 118.82 2rov h ASN 14 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2rov h ASN 14 Cb 0.00 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2rov h ASN 14 CO 0.00 0.03 0.00 1.07 -1.65 0.00 0.00 177.43 176.88 2rov n THR 15 N -2.59 0.00 -0.07 2.81 5.66 -1.26 -4.97 114.28 113.86 2rov n THR 15 Ca -0.01 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.92 2rov n THR 15 Cb 0.03 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.69 2rov n THR 15 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2rov n LYS 16 N -1.53 1.56 -2.59 1.09 4.81 -1.26 -4.88 118.16 115.36 2rov n LYS 16 Ca 0.00 -0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 2rov n LYS 16 Cb 0.00 -1.37 -0.03 0.00 0.02 0.00 0.00 35.03 33.65 2rov n LYS 16 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2rov s LYS 17 N -2.35 3.35 -0.33 1.64 2.36 -1.26 -4.99 119.74 118.16 2rov s LYS 17 Ca -0.08 -0.02 -0.18 0.00 -2.55 0.00 0.00 55.97 53.13 2rov s LYS 17 Cb 0.04 -4.10 -0.01 0.00 -1.05 0.00 0.00 37.83 32.72 2rov s LYS 17 CO 0.59 -1.88 0.52 -0.06 1.55 0.00 0.00 175.35 176.07 2rov s PHE 18 N 5.23 3.20 0.00 4.03 0.08 -1.26 -3.41 117.98 125.85 2rov s PHE 18 Ca 0.38 0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.73 2rov s PHE 18 Cb -0.08 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.48 2rov s PHE 18 CO 0.20 -0.48 0.00 0.41 -0.10 0.00 0.00 175.22 175.25 2rov n GLY 19 N 4.70 0.71 3.29 4.36 0.00 -1.20 -4.70 105.19 112.35 2rov n GLY 19 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 1.77 -0.30 -0.19 1.61 0.52 -1.26 -3.37 118.94 117.72 2rov s TRP 20 Ca 0.00 0.54 -0.04 0.00 0.02 0.00 0.00 56.10 56.62 2rov s TRP 20 Cb 0.00 0.15 0.09 0.00 -1.15 0.00 0.00 33.47 32.57 2rov s TRP 20 CO 0.00 -0.39 0.28 0.54 0.02 0.00 0.00 176.95 177.40 2rov s VAL 21 N -1.04 -0.44 -0.34 4.03 0.11 -1.08 -4.86 120.40 116.78 2rov s VAL 21 Ca -0.11 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.71 2rov s VAL 21 Cb -0.04 -0.62 -0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2rov s VAL 21 CO 0.04 -0.05 1.45 -1.59 -3.33 0.00 0.00 175.10 171.63 2rov s LYS 22 N 2.43 3.68 0.08 1.54 -2.85 -1.24 -1.99 119.74 121.39 2rov s LYS 22 Ca 0.06 1.19 0.02 0.00 -1.00 0.00 0.00 55.97 56.24 2rov s LYS 22 Cb -0.14 -4.00 -0.04 0.00 -2.06 0.00 0.00 37.83 31.58 2rov s LYS 22 CO -0.12 -1.43 0.13 0.15 0.10 0.00 0.00 175.35 174.18 2rov s LYS 23 N 4.76 3.07 -0.63 1.78 -0.14 0.18 -4.69 119.74 124.07 2rov s LYS 23 Ca 0.63 -0.62 -0.27 0.00 -1.36 0.00 0.00 55.97 54.35 2rov s LYS 23 Cb -0.17 -2.82 -0.01 0.00 -1.68 0.00 0.00 37.83 33.14 2rov s LYS 23 CO 0.30 0.57 1.75 -0.47 -0.76 0.00 0.00 175.35 176.74 2rov s TYR 24 N -1.46 1.78 -0.20 3.18 5.04 0.05 -1.50 117.35 124.24 2rov s TYR 24 Ca 0.31 0.63 -0.10 0.00 -2.44 0.00 0.00 57.07 55.48 2rov s TYR 24 Cb -0.12 -4.19 -0.05 0.00 0.35 0.00 0.00 41.96 37.95 2rov s TYR 24 CO 0.24 -2.27 0.13 0.08 -1.34 0.00 0.00 175.55 172.38 2rov s VAL 25 N 8.42 5.37 -0.13 3.14 1.01 0.82 0.68 120.40 139.71 2rov s VAL 25 Ca 0.62 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.75 2rov s VAL 25 Cb -0.12 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.86 2rov s VAL 25 CO 0.20 0.45 0.03 -0.63 0.00 0.00 0.00 175.10 175.15 2rov s ILE 26 N 0.30 0.33 -0.57 2.22 1.01 -0.44 -1.19 121.20 122.86 2rov s ILE 26 Ca 0.08 -0.16 -0.23 0.00 0.00 0.00 0.00 60.65 60.34 2rov s ILE 26 Cb -0.11 -0.71 0.05 0.00 0.01 0.00 0.00 42.46 41.70 2rov s ILE 26 CO -0.02 -0.00 0.88 -0.69 0.00 0.00 0.00 174.94 175.11 2rov s VAL 27 N 1.97 4.48 0.68 2.92 1.01 0.94 -1.30 120.40 131.08 2rov s VAL 27 Ca 0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 2rov s VAL 27 Cb -0.15 -4.52 -0.00 0.00 0.00 0.00 0.00 36.38 31.71 2rov s VAL 27 CO -0.07 -1.13 1.07 -0.55 0.00 0.00 0.00 175.10 174.43 2rov s SER 28 N 3.01 5.72 -0.43 3.32 0.15 0.34 -4.06 113.70 121.75 2rov s SER 28 Ca 0.25 1.24 -0.32 0.00 0.70 0.00 0.00 55.95 57.82 2rov s SER 28 Cb -0.15 -2.13 -0.11 0.00 -1.71 0.00 0.00 66.02 61.93 2rov s SER 28 CO 0.16 -1.18 2.30 -1.54 1.20 0.00 0.00 173.24 174.18 2rov n SER 29 N -2.92 2.15 -1.63 5.45 3.41 -1.26 -0.05 113.62 118.77 2rov n SER 29 Ca 0.07 0.16 -0.15 0.00 -0.26 0.00 0.00 58.87 58.69 2rov n SER 29 Cb 0.56 -1.34 -0.01 0.00 -0.26 0.00 0.00 64.21 63.16 2rov n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2rov n LYS 30 N 8.49 -1.15 -3.48 4.33 4.76 -1.26 -4.98 118.16 124.86 2rov n LYS 30 Ca 0.41 0.73 -0.11 0.00 -2.87 0.00 0.00 58.31 56.47 2rov n LYS 30 Cb 0.31 -5.03 -0.03 0.00 -1.84 0.00 0.00 35.03 28.44 2rov n LYS 30 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2rov s LYS 31 N -4.63 1.01 0.02 1.97 2.47 0.93 -4.09 119.74 117.43 2rov s LYS 31 Ca 0.00 -0.24 0.05 0.00 -1.56 0.00 0.00 55.97 54.22 2rov s LYS 31 Cb 0.00 0.47 -0.02 0.00 -1.46 0.00 0.00 37.83 36.82 2rov s LYS 31 CO 0.00 -0.42 -0.14 0.42 0.16 0.00 0.00 175.35 175.37 2rov s ILE 32 N -2.88 1.15 0.01 5.43 1.01 0.23 0.13 121.20 126.28 2rov s ILE 32 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 2rov s ILE 32 Cb -0.01 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 2rov s ILE 32 CO -0.07 0.13 -0.01 -0.76 0.00 0.00 0.00 174.94 174.23 2rov s LEU 33 N -0.85 2.13 -0.13 2.97 1.02 -0.42 0.09 118.68 123.49 2rov s LEU 33 Ca 0.03 -0.38 0.02 0.00 0.02 0.00 0.00 54.13 53.82 2rov s LEU 33 Cb -0.07 0.13 0.01 0.00 0.02 0.00 0.00 46.19 46.29 2rov s LEU 33 CO 0.01 -0.25 -0.19 -0.36 0.02 0.00 0.00 176.35 175.57 2rov s PHE 34 N -1.18 2.42 0.29 0.29 0.40 0.35 -1.33 117.98 119.23 2rov s PHE 34 Ca -0.13 -1.22 0.08 0.00 -0.60 0.00 0.00 56.93 55.07 2rov s PHE 34 Cb -0.08 -1.68 -0.06 0.00 0.51 0.00 0.00 43.02 41.71 2rov s PHE 34 CO -0.01 -0.58 -0.09 0.71 0.70 0.00 0.00 175.22 175.95 2rov s TYR 35 N 0.92 2.11 -0.11 0.36 1.51 0.21 0.12 117.35 122.47 2rov s TYR 35 Ca -0.06 -0.59 0.19 0.00 -1.01 0.00 0.00 57.07 55.61 2rov s TYR 35 Cb -0.15 -1.16 -0.29 0.00 -0.11 0.00 0.00 41.96 40.26 2rov s TYR 35 CO -0.03 0.43 0.27 -0.25 -1.11 0.00 0.00 175.55 174.86 2rov n ASP 36 N -0.64 0.18 -3.68 2.29 9.92 -1.26 -0.77 116.55 122.59 2rov n ASP 36 Ca -0.05 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.14 2rov n ASP 36 Cb 0.63 1.48 -0.02 0.00 -0.64 0.00 0.00 41.12 42.58 2rov n ASP 36 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2rov s SER 37 N -4.90 -0.28 0.29 -2.24 0.01 -1.26 -4.59 113.70 100.72 2rov s SER 37 Ca -0.09 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 56.89 2rov s SER 37 Cb 0.10 0.53 0.44 0.00 0.21 0.00 0.00 66.02 67.29 2rov s SER 37 CO 0.84 -0.94 1.75 -0.08 0.41 0.00 0.00 173.24 175.22 2rov h GLU 38 N 2.00 0.52 -0.89 12.44 4.81 -1.99 -2.11 114.58 129.37 2rov h GLU 38 Ca -0.24 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2rov h GLU 38 Cb 1.25 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 2rov h GLU 38 CO 0.28 0.68 0.59 -0.56 -0.73 0.00 0.00 179.01 179.26 2rov h GLN 39 N 0.47 1.16 0.01 1.92 3.07 -2.00 -0.91 115.11 118.84 2rov h GLN 39 Ca 0.08 -0.07 -0.20 0.00 0.09 0.00 0.00 58.65 58.55 2rov h GLN 39 Cb 0.59 -0.26 -0.02 0.00 0.08 0.00 0.00 27.48 27.87 2rov h GLN 39 CO 0.04 0.77 -0.91 -0.44 0.09 0.00 0.00 178.83 178.37 2rov h ASP 40 N 1.19 0.18 -0.06 0.06 3.32 -1.86 -3.17 116.42 116.08 2rov h ASP 40 Ca 0.33 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2rov h ASP 40 Cb -0.12 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 2rov h ASP 40 CO -0.07 1.00 0.01 0.50 -1.72 0.00 0.00 179.24 178.95 2rov h LYS 41 N 0.07 0.10 -0.01 3.56 3.11 -0.70 -1.88 116.57 120.82 2rov h LYS 41 Ca -0.04 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2rov h LYS 41 Cb 1.57 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.79 2rov h LYS 41 CO 0.13 0.34 0.01 0.93 -2.81 0.00 0.00 179.45 178.06 2rov h GLU 42 N -0.15 0.00 -0.06 1.90 5.08 -1.27 0.10 114.58 120.18 2rov h GLU 42 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2rov h GLU 42 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 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 -4.02 1.32 -3.26 2.33 1.13 -1.04 -4.90 117.38 108.95 2rov n GLN 43 Ca -0.03 -0.48 -0.22 0.00 -1.94 0.00 0.00 57.00 54.34 2rov n GLN 43 Cb 0.10 -1.37 0.06 0.00 0.11 0.00 0.00 30.24 29.14 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 -0.33 -6.03 -4.08 1.08 7.64 0.36 -4.96 113.62 107.31 2rov n SER 44 Ca 0.16 -0.39 -0.35 0.00 1.01 0.00 0.00 58.87 59.30 2rov n SER 44 Cb 0.19 -4.74 -0.07 0.00 -1.01 0.00 0.00 64.21 58.57 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 -3.02 5.82 0.43 6.43 3.84 -0.73 -5.05 114.94 122.65 2rov s ASN 45 Ca 0.42 -3.73 -0.23 0.00 0.21 0.00 0.00 52.86 49.53 2rov s ASN 45 Cb -0.19 -1.87 -0.08 0.00 -0.55 0.00 0.00 41.25 38.56 2rov s ASN 45 CO 0.52 -0.17 1.12 -2.16 -2.79 0.00 0.00 177.10 173.62 2rov s PRO 46 N -1.35 3.93 -0.22 0.43 0.04 -1.26 -4.63 135.00 131.94 2rov s PRO 46 Ca 0.27 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 2rov s PRO 46 Cb -0.07 -2.47 -0.18 0.00 0.04 0.00 0.00 34.50 31.82 2rov s PRO 46 CO -0.13 -0.38 0.01 0.98 0.04 0.00 0.00 177.00 177.52 2rov n TYR 47 N -0.30 0.63 -3.57 0.56 9.36 0.33 -4.91 117.16 119.26 2rov n TYR 47 Ca 0.06 0.23 -0.23 0.00 3.32 0.00 0.00 57.90 61.28 2rov n TYR 47 Cb 0.49 -1.07 -0.15 0.00 -0.63 0.00 0.00 39.34 37.97 2rov n TYR 47 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 2rov s MET 48 N -2.46 0.11 -0.19 2.98 1.75 -0.88 -4.93 119.30 115.68 2rov s MET 48 Ca -0.32 0.04 -0.05 0.00 -1.25 0.00 0.00 55.69 54.11 2rov s MET 48 Cb 0.09 -1.56 -0.03 0.00 2.84 0.00 0.00 34.83 36.18 2rov s MET 48 CO 0.59 -0.66 0.00 0.54 -0.65 0.00 0.00 175.02 174.85 2rov s VAL 49 N 2.21 4.08 0.21 10.11 0.11 -1.26 0.13 120.40 135.99 2rov s VAL 49 Ca 0.04 -0.28 0.10 0.00 -2.93 0.00 0.00 61.98 58.92 2rov s VAL 49 Cb -0.16 -2.83 -0.04 0.00 -1.53 0.00 0.00 36.38 31.82 2rov s VAL 49 CO -0.10 0.44 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.19 2rov s LEU 50 N 0.77 2.72 -0.32 2.54 1.02 0.11 -4.95 118.68 120.57 2rov s LEU 50 Ca 0.00 -0.77 -0.15 0.00 0.02 0.00 0.00 54.13 53.23 2rov s LEU 50 Cb -0.14 -1.38 -0.02 0.00 0.02 0.00 0.00 46.19 44.67 2rov s LEU 50 CO 0.02 0.09 0.36 -1.81 0.02 0.00 0.00 176.35 175.03 2rov s ASP 51 N -2.96 6.19 0.37 2.29 1.11 -1.26 0.77 116.67 123.17 2rov s ASP 51 Ca 0.25 -0.11 0.08 0.00 0.18 0.00 0.00 52.55 52.95 2rov s ASP 51 Cb -0.08 -2.20 0.81 0.00 1.07 0.00 0.00 42.92 42.53 2rov s ASP 51 CO 0.13 -0.30 1.94 0.40 1.18 0.00 0.00 175.17 178.53 2rov h ILE 52 N 5.50 0.95 -0.02 0.77 2.04 -1.85 0.27 117.51 125.17 2rov h ILE 52 Ca -0.30 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.24 2rov h ILE 52 Cb 1.15 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2rov h ILE 52 CO 0.68 0.12 -0.39 -0.78 0.00 0.00 0.00 178.15 177.78 2rov h ASP 53 N 0.68 0.03 1.03 1.72 1.82 -1.92 -2.32 116.42 117.46 2rov h ASP 53 Ca 0.34 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 2rov h ASP 53 Cb 0.44 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.44 2rov h ASP 53 CO -0.12 0.43 0.00 0.11 -1.61 0.00 0.00 179.24 178.04 2rov h LYS 54 N 0.03 0.00 -6.86 0.28 1.57 -1.34 -3.46 116.57 106.79 2rov h LYS 54 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2rov h LYS 54 Cb 0.71 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.18 2rov h LYS 54 CO 0.05 0.00 0.18 1.28 -0.57 0.00 0.00 179.45 180.39 2rov n LEU 55 N -2.39 3.95 -0.06 2.94 4.77 -0.87 -2.44 117.00 122.89 2rov n LEU 55 Ca 0.03 0.82 -0.08 0.00 -0.03 0.00 0.00 56.01 56.75 2rov n LEU 55 Cb 0.31 -1.41 -0.05 0.00 -2.33 0.00 0.00 43.42 39.93 2rov n LEU 55 CO 0.24 -1.72 -0.88 0.49 -1.33 0.00 0.00 177.39 174.19 2rov n PHE 56 N -1.69 0.00 -3.36 -1.77 3.72 0.18 -4.88 117.46 109.67 2rov n PHE 56 Ca 0.14 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.57 2rov n PHE 56 Cb 0.47 -0.45 -0.05 0.00 -0.94 0.00 0.00 39.48 38.51 2rov n PHE 56 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2rov s HIS 57 N -2.23 -0.09 -0.20 1.38 3.76 -1.23 -5.01 115.29 111.67 2rov s HIS 57 Ca -0.16 0.16 0.01 0.00 -0.15 0.00 0.00 55.06 54.92 2rov s HIS 57 Cb 0.04 0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.81 2rov s HIS 57 CO 0.27 -0.04 -0.16 0.54 -0.85 0.00 0.00 174.74 174.49 2rov s VAL 58 N 1.69 2.28 0.09 -0.90 0.11 -1.26 -2.14 120.40 120.26 2rov s VAL 58 Ca -0.03 -1.00 -0.11 0.00 -2.93 0.00 0.00 61.98 57.91 2rov s VAL 58 Cb -0.01 -2.04 0.01 0.00 -1.53 0.00 0.00 36.38 32.81 2rov s VAL 58 CO -0.14 0.42 0.27 -0.13 -3.33 0.00 0.00 175.10 172.19 2rov s ARG 59 N 1.29 0.90 0.58 1.54 1.81 -0.58 -4.93 118.95 119.56 2rov s ARG 59 Ca 0.03 -0.82 -0.19 0.00 -1.72 0.00 0.00 55.73 53.03 2rov s ARG 59 Cb -0.14 0.38 -0.06 0.00 -0.45 0.00 0.00 34.95 34.68 2rov s ARG 59 CO -0.10 -0.31 0.90 -0.35 -0.68 0.00 0.00 175.30 174.76 2rov n PRO 60 N -0.01 0.88 -2.71 3.54 -0.04 -1.26 -1.16 135.00 134.24 2rov n PRO 60 Ca -0.16 0.34 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 2rov n PRO 60 Cb 0.62 -2.09 0.08 0.00 -0.04 0.00 0.00 33.50 32.08 2rov n PRO 60 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2rov s VAL 61 N -1.52 2.24 0.14 0.52 -7.23 0.09 -4.70 120.40 109.93 2rov s VAL 61 Ca 0.73 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 60.20 2rov s VAL 61 Cb -0.43 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 2rov s VAL 61 CO 0.49 0.00 0.04 0.35 -0.31 0.00 0.00 175.10 175.67 2rov n THR 62 N -2.60 0.00 0.29 5.32 -2.24 -1.26 -4.59 114.28 109.20 2rov n THR 62 Ca 0.14 -0.77 0.10 0.00 -2.27 0.00 0.00 64.05 61.25 2rov n THR 62 Cb 0.61 0.26 0.49 0.00 -2.10 0.00 0.00 70.33 69.58 2rov n THR 62 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2rov n GLN 63 N -0.31 0.15 0.09 -0.78 -0.06 -1.26 -1.82 117.38 113.38 2rov n GLN 63 Ca -0.03 0.50 -0.03 0.00 -2.00 0.00 0.00 57.00 55.45 2rov n GLN 63 Cb 0.20 -1.86 -0.06 0.00 -4.06 0.00 0.00 30.24 24.47 2rov n GLN 63 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2rov h THR 64 N 0.00 1.24 0.00 1.69 1.35 -2.02 -3.26 112.91 111.91 2rov h THR 64 Ca 0.00 -2.80 -0.06 0.00 -0.55 0.00 0.00 66.41 63.00 2rov h THR 64 Cb 0.20 2.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 2rov h THR 64 CO 0.00 0.71 -0.30 -0.78 -0.25 0.00 0.00 175.52 174.90 2rov h ASP 65 N 0.00 0.00 -4.68 5.36 1.82 -1.75 -3.45 116.42 113.72 2rov h ASP 65 Ca -0.03 0.00 -0.47 0.00 -0.39 0.00 0.00 57.03 56.14 2rov h ASP 65 Cb 1.61 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 41.50 2rov h ASP 65 CO 0.10 0.30 -0.43 1.33 -1.61 0.00 0.00 179.24 178.92 2rov n VAL 66 N -3.83 0.00 0.00 2.25 0.24 -1.23 -5.05 118.33 110.71 2rov n VAL 66 Ca -0.01 -2.25 0.00 0.00 -2.04 0.00 0.00 64.34 60.04 2rov n VAL 66 Cb 0.39 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.68 -0.31 0.16 6.34 0.18 -1.26 -4.82 117.16 116.78 2rov n TYR 67 Ca 0.03 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.83 2rov n TYR 67 Cb 0.56 0.37 0.23 0.00 -0.38 0.00 0.00 39.34 40.12 2rov n TYR 67 CO 0.00 0.00 0.00 0.07 -2.08 0.00 0.00 176.86 174.85 2rov h ARG 68 N 0.00 0.00 0.00 -3.48 0.11 -1.96 -3.45 114.38 105.60 2rov h ARG 68 Ca 0.00 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.92 2rov h ARG 68 Cb 0.00 0.00 0.09 0.00 1.11 0.00 0.00 29.97 31.17 2rov h ARG 68 CO 0.00 0.52 -0.08 0.00 0.10 0.00 0.00 179.97 180.51 2rov n ALA 69 N -2.35 -2.27 -2.34 0.08 0.00 -1.26 -5.02 120.51 107.35 2rov n ALA 69 Ca -0.00 -0.66 -0.31 0.00 0.00 0.00 0.00 53.44 52.46 2rov n ALA 69 Cb 0.59 -0.06 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.18 3.20 0.57 0.00 2.15 -1.26 -5.00 116.67 114.15 2rov s ASP 70 Ca 0.29 -0.45 0.32 0.00 0.43 0.00 0.00 52.55 53.14 2rov s ASP 70 Cb -0.05 -0.40 1.44 0.00 -0.30 0.00 0.00 42.92 43.60 2rov s ASP 70 CO 0.24 0.31 1.78 0.00 -0.17 0.00 0.00 175.17 177.33 2rov h ALA 71 N 5.36 2.74 0.02 3.66 0.00 -1.96 0.80 119.26 129.86 2rov h ALA 71 Ca -0.44 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 2rov h ALA 71 Cb 1.13 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2rov h ALA 71 CO 0.47 -1.21 -0.92 0.87 0.00 0.00 0.00 179.25 178.46 2rov h LYS 72 N 0.00 0.15 0.06 0.00 1.57 -2.03 -3.27 116.57 113.05 2rov h LYS 72 Ca 0.42 -0.18 -0.24 0.00 -1.87 0.00 0.00 60.65 58.78 2rov h LYS 72 Cb 1.92 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 34.28 2rov h LYS 72 CO -0.00 0.96 -1.11 0.93 -0.57 0.00 0.00 179.45 179.66 2rov h GLU 73 N 0.07 0.15 -0.59 3.15 4.39 0.12 -3.35 114.58 118.52 2rov h GLU 73 Ca -0.04 -0.25 0.11 0.00 0.34 0.00 0.00 59.36 59.52 2rov h GLU 73 Cb 1.58 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 30.20 2rov h GLU 73 CO 0.14 1.11 -0.29 0.82 -1.16 0.00 0.00 179.01 179.62 2rov h ILE 74 N 0.05 0.22 0.00 3.13 1.08 -1.09 0.48 117.51 121.37 2rov h ILE 74 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 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 0.16 -0.12 2.37 -0.04 -1.26 -1.43 135.00 129.25 2rov n PRO 75 Ca 0.05 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 2rov n PRO 75 Cb 0.35 -1.90 0.21 0.00 -0.04 0.00 0.00 33.50 32.12 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 -2.22 2.35 -4.82 0.54 1.74 0.16 -4.76 116.66 109.65 2rov n ARG 76 Ca 0.00 -2.02 -0.33 0.00 -0.77 0.00 0.00 57.85 54.73 2rov n ARG 76 Cb 0.13 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 29.95 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 -1.68 3.13 0.07 0.55 1.01 -0.51 0.60 121.20 124.36 2rov s ILE 77 Ca 0.35 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.39 2rov s ILE 77 Cb 0.21 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 2rov s ILE 77 CO 0.31 0.57 -0.18 0.72 0.00 0.00 0.00 174.94 176.36 2rov s PHE 78 N -0.36 1.52 -0.07 3.97 -0.71 -0.83 -0.73 117.98 120.76 2rov s PHE 78 Ca 0.04 -0.41 0.02 0.00 -1.04 0.00 0.00 56.93 55.53 2rov s PHE 78 Cb -0.12 -0.86 -0.03 0.00 -1.21 0.00 0.00 43.02 40.80 2rov s PHE 78 CO 0.02 0.11 -0.10 -1.14 -1.34 0.00 0.00 175.22 172.78 2rov s GLN 79 N -1.58 2.75 -0.23 1.99 0.74 -0.31 -1.56 119.66 121.46 2rov s GLN 79 Ca 0.03 -0.61 0.02 0.00 0.05 0.00 0.00 55.36 54.85 2rov s GLN 79 Cb -0.09 -2.53 0.05 0.00 1.10 0.00 0.00 33.01 31.53 2rov s GLN 79 CO 0.03 0.60 -0.11 0.42 -0.55 0.00 0.00 175.29 175.67 2rov s ILE 80 N -0.64 1.90 -0.03 -2.34 1.09 -0.10 -1.52 121.20 119.56 2rov s ILE 80 Ca 0.10 -1.28 -0.20 0.00 -1.10 0.00 0.00 60.65 58.16 2rov s ILE 80 Cb -0.11 -1.98 -0.05 0.00 -1.06 0.00 0.00 42.46 39.26 2rov s ILE 80 CO 0.01 0.11 0.57 -0.22 -0.10 0.00 0.00 174.94 175.32 2rov s LEU 81 N 1.26 4.39 -0.02 2.97 2.96 -0.91 0.42 118.68 129.74 2rov s LEU 81 Ca -0.04 1.09 -0.07 0.00 -0.22 0.00 0.00 54.13 54.89 2rov s LEU 81 Cb -0.18 -2.88 0.01 0.00 0.50 0.00 0.00 46.19 43.64 2rov s LEU 81 CO -0.07 0.08 0.16 -0.72 -1.32 0.00 0.00 176.35 174.47 2rov s TYR 82 N -0.02 -0.05 -0.09 5.38 1.13 0.09 0.50 117.35 124.29 2rov s TYR 82 Ca 0.30 0.09 -0.30 0.00 -1.41 0.00 0.00 57.07 55.76 2rov s TYR 82 Cb -0.18 -0.00 -0.03 0.00 -1.10 0.00 0.00 41.96 40.65 2rov s TYR 82 CO 0.16 -0.22 1.35 0.00 -2.51 0.00 0.00 175.55 174.32 2rov s ALA 83 N -0.86 3.61 -0.25 9.51 0.00 -1.02 -1.95 121.76 130.80 2rov s ALA 83 Ca -0.10 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.44 2rov s ALA 83 Cb -0.05 -3.62 -0.16 0.00 0.00 0.00 0.00 23.12 19.29 2rov s ALA 83 CO 0.01 -1.08 -0.16 0.27 0.00 0.00 0.00 175.76 174.80 2rov n ASN 84 N 6.19 1.97 0.00 0.00 0.23 -1.26 -4.83 115.26 117.56 2rov n ASN 84 Ca 0.14 0.17 0.00 0.00 -0.53 0.00 0.00 54.58 54.35 2rov n ASN 84 Cb 0.44 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.45 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 -3.84 0.00 0.00 -3.83 -0.58 -1.26 -5.06 120.64 106.08 2rov n GLU 85 Ca -0.46 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 2rov n GLU 85 Cb 0.92 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 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 3.37 0.76 1.83 0.62 0.00 -1.26 -5.07 105.19 105.44 2rov n GLY 86 Ca 0.00 0.08 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 0.07 0.15 -0.61 -0.00 -1.26 -4.72 119.36 112.99 2rov n ILE 87 Ca 0.00 0.02 0.10 0.00 -0.00 0.00 0.00 62.75 62.87 2rov n ILE 87 Cb 0.00 -0.34 0.61 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 0.09 1.75 4.38 0.87 -2.00 0.09 113.55 118.72 2rov h SER 88 Ca 0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2rov h SER 88 Cb 0.00 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2rov h SER 88 CO 0.00 0.06 -0.04 0.28 -0.53 0.00 0.00 176.83 176.60 2rov h SER 89 N 0.11 0.00 -0.80 6.23 0.02 -1.97 -3.46 113.55 113.67 2rov h SER 89 Ca 0.09 0.00 -0.86 0.00 -0.84 0.00 0.00 61.79 60.18 2rov h SER 89 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2rov h SER 89 CO -0.01 0.04 0.81 0.00 -1.14 0.00 0.00 176.83 176.54 2rov n ALA 90 N -2.11 -1.05 -2.27 3.77 0.00 0.01 -4.70 120.51 114.16 2rov n ALA 90 Ca 0.03 0.44 -0.20 0.00 0.00 0.00 0.00 53.44 53.71 2rov n ALA 90 Cb 0.50 -1.95 0.13 0.00 0.00 0.00 0.00 19.45 18.13 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 4.68 -0.45 -4.37 0.00 4.76 -0.82 -4.74 118.16 117.22 2rov n LYS 91 Ca 0.36 -2.15 -0.19 0.00 -2.87 0.00 0.00 58.31 53.46 2rov n LYS 91 Cb -0.06 -0.81 -0.10 0.00 -1.84 0.00 0.00 35.03 32.22 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 -4.82 2.14 -0.18 4.39 6.03 -1.26 -0.73 114.94 120.51 2rov s ASN 92 Ca 0.61 -1.23 0.00 0.00 -1.03 0.00 0.00 52.86 51.21 2rov s ASN 92 Cb -0.03 -0.05 0.04 0.00 -3.03 0.00 0.00 41.25 38.18 2rov s ASN 92 CO 0.41 -0.48 -0.10 -0.22 -2.03 0.00 0.00 177.10 174.69 2rov s LEU 93 N -3.36 1.99 -0.23 3.54 0.20 0.17 -4.88 118.68 116.10 2rov s LEU 93 Ca 0.30 -0.75 -0.17 0.00 0.69 0.00 0.00 54.13 54.20 2rov s LEU 93 Cb 0.06 -1.14 -0.03 0.00 -0.43 0.00 0.00 46.19 44.64 2rov s LEU 93 CO 0.10 -0.14 0.45 -0.76 -0.29 0.00 0.00 176.35 175.72 2rov s LEU 94 N 1.48 4.10 -0.16 -0.68 2.01 -1.26 -0.93 118.68 123.24 2rov s LEU 94 Ca 0.00 0.50 -0.00 0.00 0.01 0.00 0.00 54.13 54.65 2rov s LEU 94 Cb -0.15 -2.58 0.04 0.00 0.01 0.00 0.00 46.19 43.51 2rov s LEU 94 CO -0.09 -0.18 -0.07 -0.76 1.01 0.00 0.00 176.35 176.27 2rov s LEU 95 N 1.80 1.61 -0.13 1.79 1.43 -0.60 -4.38 118.68 120.20 2rov s LEU 95 Ca 0.20 -0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 52.46 2rov s LEU 95 Cb -0.15 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 2rov s LEU 95 CO 0.09 -0.16 0.68 -0.22 0.23 0.00 0.00 176.35 176.97 2rov s LEU 96 N 1.61 4.24 -0.12 1.79 2.96 0.22 -1.97 118.68 127.41 2rov s LEU 96 Ca 0.02 1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 54.91 2rov s LEU 96 Cb -0.15 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 2rov s LEU 96 CO -0.08 -0.20 0.12 0.00 -1.32 0.00 0.00 176.35 174.87 2rov s ALA 97 N 1.35 3.79 0.53 5.97 0.00 0.20 -0.91 121.76 132.69 2rov s ALA 97 Ca 0.34 -0.66 0.22 0.00 0.00 0.00 0.00 51.96 51.86 2rov s ALA 97 Cb -0.17 -1.93 1.36 0.00 0.00 0.00 0.00 23.12 22.38 2rov s ALA 97 CO 0.14 0.57 2.05 -0.91 0.00 0.00 0.00 175.76 177.61 2rov h ASN 98 N 5.17 0.00 -4.61 0.00 2.35 -1.87 -3.42 115.58 113.19 2rov h ASN 98 Ca -0.53 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 54.92 2rov h ASN 98 Cb 1.22 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.37 2rov h ASN 98 CO 0.59 0.00 -0.74 -0.44 -1.65 0.00 0.00 177.43 175.19 2rov s SER 99 N -6.48 0.92 0.20 5.81 0.01 -1.26 -5.05 113.70 107.85 2rov s SER 99 Ca -0.05 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.61 2rov s SER 99 Cb 0.19 0.01 0.21 0.00 0.21 0.00 0.00 66.02 66.64 2rov s SER 99 CO 0.71 -0.15 1.78 0.74 0.41 0.00 0.00 173.24 176.72 2rov h THR 100 N 4.55 0.90 -0.96 1.44 2.02 -1.86 -1.49 112.91 117.51 2rov h THR 100 Ca -0.35 -0.18 0.15 0.00 0.77 0.00 0.00 66.41 66.80 2rov h THR 100 Cb 1.20 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 67.86 2rov h THR 100 CO 0.42 0.09 0.61 -0.33 0.37 0.00 0.00 175.52 176.68 2rov h GLU 101 N 0.52 0.76 -0.87 6.66 5.08 -1.96 -0.37 114.58 124.39 2rov h GLU 101 Ca 0.27 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2rov h GLU 101 Cb 0.23 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2rov h GLU 101 CO -0.21 0.50 0.57 1.49 -1.00 0.00 0.00 179.01 180.36 2rov h GLU 102 N 0.78 1.14 -0.34 2.33 4.57 -1.67 -1.42 114.58 119.98 2rov h GLU 102 Ca 0.50 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.54 2rov h GLU 102 Cb 0.73 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 2rov h GLU 102 CO -0.26 0.76 -0.08 0.37 -1.18 0.00 0.00 179.01 178.62 2rov h GLN 103 N 1.17 0.56 -0.29 1.92 -0.00 -0.97 0.12 115.11 117.63 2rov h GLN 103 Ca 0.32 -0.15 -0.08 0.00 -0.00 0.00 0.00 58.65 58.74 2rov h GLN 103 Cb -0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.27 2rov h GLN 103 CO -0.07 0.64 -0.14 1.96 0.00 0.00 0.00 178.83 181.22 2rov h GLN 104 N 0.52 0.60 -0.01 1.69 1.08 -0.87 -1.75 115.11 116.36 2rov h GLN 104 Ca 0.10 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 2rov h GLN 104 Cb 0.45 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2rov h GLN 104 CO 0.02 0.83 -0.01 -0.22 -0.95 0.00 0.00 178.83 178.50 2rov h LYS 105 N 0.35 0.03 -0.12 1.46 3.64 -1.09 -0.07 116.57 120.76 2rov h LYS 105 Ca 0.06 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2rov h LYS 105 Cb 0.65 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 2rov h LYS 105 CO 0.04 0.54 -0.12 -1.49 -2.27 0.00 0.00 179.45 176.15 2rov h TRP 106 N -0.48 -0.30 0.11 1.91 4.06 -0.81 0.39 115.95 120.83 2rov h TRP 106 Ca 0.00 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 2rov h TRP 106 Cb 0.53 0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.85 2rov h TRP 106 CO 0.11 -0.18 -0.05 0.28 -3.56 0.00 0.00 178.44 175.03 2rov h VAL 107 N -0.14 1.09 -0.73 1.49 2.07 -1.39 0.32 116.25 118.95 2rov h VAL 107 Ca 0.09 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.84 2rov h VAL 107 Cb 0.27 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2rov h VAL 107 CO -0.21 0.19 0.48 0.28 0.02 0.00 0.00 177.57 178.34 2rov h SER 108 N -0.52 0.74 0.10 0.57 0.02 -0.90 0.36 113.55 113.91 2rov h SER 108 Ca -0.01 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2rov h SER 108 Cb 0.43 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2rov h SER 108 CO 0.02 0.50 -0.05 0.03 -1.14 0.00 0.00 176.83 176.20 2rov h ARG 109 N 0.85 -0.12 -0.79 3.45 2.47 -0.19 -1.82 114.38 118.23 2rov h ARG 109 Ca 0.30 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 59.02 2rov h ARG 109 Cb 0.12 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.43 2rov h ARG 109 CO -0.09 0.38 0.46 1.37 0.56 0.00 0.00 179.97 182.65 2rov h LEU 110 N -0.89 0.96 -0.31 3.04 8.10 -0.80 -1.54 115.31 123.86 2rov h LEU 110 Ca -0.01 -0.06 -0.15 0.00 0.11 0.00 0.00 57.88 57.76 2rov h LEU 110 Cb 0.56 -0.24 -0.00 0.00 -0.44 0.00 0.00 40.66 40.53 2rov h LEU 110 CO 0.02 0.75 -0.40 1.62 -4.11 0.00 0.00 178.44 176.32 2rov h VAL 111 N 1.09 1.29 0.00 0.15 3.04 -0.38 -2.87 116.25 118.57 2rov h VAL 111 Ca 0.28 -1.58 -0.02 0.00 -1.01 0.00 0.00 66.70 64.37 2rov h VAL 111 Cb -0.02 1.55 -0.00 0.00 -2.01 0.00 0.00 31.29 30.81 2rov h VAL 111 CO -0.05 0.51 -0.11 0.11 -1.01 0.00 0.00 177.57 177.03 2rov h LYS 112 N 0.60 0.00 0.00 4.17 1.57 -0.92 -0.91 116.57 121.07 2rov h LYS 112 Ca 0.04 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2rov h LYS 112 Cb 0.99 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2rov h LYS 112 CO 0.09 0.11 -0.28 0.87 -0.57 0.00 0.00 179.45 179.67 2rov h LYS 113 N 0.00 0.00 -6.76 3.15 1.57 -1.07 -3.45 116.57 110.01 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 0.20 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.60 2rov h LYS 113 CO 0.01 0.28 0.77 -0.89 -0.57 0.00 0.00 179.45 179.05 2rov n ILE 114 N -3.44 1.22 -0.07 1.86 5.41 -0.35 -4.78 119.36 119.22 2rov n ILE 114 Ca 0.00 -0.31 -0.15 0.00 1.00 0.00 0.00 62.75 63.30 2rov n ILE 114 Cb 0.46 -1.82 -0.05 0.00 -0.71 0.00 0.00 39.64 37.52 2rov n ILE 114 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2rov h PRO 115 N 4.21 0.71 -1.90 0.38 0.13 -1.87 -3.25 132.00 130.42 2rov h PRO 115 Ca -0.47 -0.45 -0.51 0.00 -0.87 0.00 0.00 66.00 63.70 2rov h PRO 115 Cb 1.24 0.05 -0.18 0.00 0.13 0.00 0.00 31.00 32.24 2rov h PRO 115 CO 0.75 1.07 0.47 1.63 -0.23 0.00 0.00 178.00 181.70 2rov n LYS 116 N -4.17 2.37 0.00 0.86 4.76 -1.26 -5.18 118.16 115.53 2rov n LYS 116 Ca -0.05 -2.39 0.06 0.00 -2.87 0.00 0.00 58.31 53.06 2rov n LYS 116 Cb 0.56 -2.09 0.34 0.00 -1.84 0.00 0.00 35.03 32.00 2rov n LYS 116 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20