#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 0.16 -1.43 1.43 0.00 -1.26 -5.08 116.66 110.48 2rov n ARG 2 Ca 0.00 -0.95 -0.50 0.00 -0.00 0.00 0.00 57.85 56.40 2rov n ARG 2 Cb 0.00 0.83 -0.08 0.00 -0.00 0.00 0.00 32.46 33.21 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 1.88 -3.80 2.89 7.94 -1.26 -4.86 117.00 119.80 2rov n LEU 3 Ca 0.01 0.38 -0.10 0.00 -1.11 0.00 0.00 56.01 55.20 2rov n LEU 3 Cb 0.18 -1.22 -0.05 0.00 0.53 0.00 0.00 43.42 42.86 2rov n LEU 3 CO 0.09 -0.78 0.10 -1.83 -1.11 0.00 0.00 177.39 173.86 2rov s GLU 4 N 6.47 1.16 0.00 1.96 -1.05 -1.26 0.51 118.70 126.49 2rov s GLU 4 Ca 1.12 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 55.00 2rov s GLU 4 Cb -0.92 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 33.21 2rov s GLU 4 CO 0.50 -0.45 0.00 0.41 0.95 0.00 0.00 175.26 176.67 2rov n GLY 5 N -0.23 0.16 3.18 -3.83 0.00 0.08 -4.98 105.19 99.58 2rov n GLY 5 Ca -0.11 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.53 2.68 0.11 1.61 0.52 -1.26 0.14 118.94 119.21 2rov s TRP 6 Ca 0.00 -1.30 0.10 0.00 0.02 0.00 0.00 56.10 54.92 2rov s TRP 6 Cb 0.00 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 2rov s TRP 6 CO 0.00 -0.59 -0.27 -0.51 0.02 0.00 0.00 176.95 175.60 2rov s LEU 7 N 0.80 2.28 0.13 2.99 1.43 -0.45 -4.77 118.68 121.09 2rov s LEU 7 Ca -0.07 -0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 52.18 2rov s LEU 7 Cb -0.16 -1.22 -0.07 0.00 0.03 0.00 0.00 46.19 44.78 2rov s LEU 7 CO -0.02 0.19 0.53 -0.44 0.23 0.00 0.00 176.35 176.85 2rov s SER 8 N -1.84 6.84 0.08 2.29 0.01 -0.41 0.58 113.70 121.25 2rov s SER 8 Ca 0.13 1.07 0.03 0.00 1.31 0.00 0.00 55.95 58.49 2rov s SER 8 Cb -0.10 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2rov s SER 8 CO 0.05 0.14 -0.09 -0.76 0.41 0.00 0.00 173.24 172.99 2rov s LEU 9 N -1.82 2.38 -0.44 2.44 1.02 -1.01 0.45 118.68 121.70 2rov s LEU 9 Ca 0.36 -0.78 -0.28 0.00 0.02 0.00 0.00 54.13 53.45 2rov s LEU 9 Cb -0.15 -0.21 -0.08 0.00 0.02 0.00 0.00 46.19 45.76 2rov s LEU 9 CO 0.19 -0.29 2.37 -0.81 0.02 0.00 0.00 176.35 177.83 2rov n PRO 10 N 0.70 1.21 -3.65 1.29 -0.04 -1.26 -2.57 135.00 130.68 2rov n PRO 10 Ca -0.17 0.16 -0.39 0.00 -0.04 0.00 0.00 63.50 63.05 2rov n PRO 10 Cb 0.57 -3.17 -0.11 0.00 -0.04 0.00 0.00 33.50 30.75 2rov n PRO 10 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rov s VAL 11 N 10.59 4.18 -0.56 0.52 0.11 -1.24 -4.84 120.40 129.15 2rov s VAL 11 Ca 1.03 -1.17 -0.26 0.00 -2.93 0.00 0.00 61.98 58.65 2rov s VAL 11 Cb -0.35 -3.44 -0.05 0.00 -1.53 0.00 0.00 36.38 31.01 2rov s VAL 11 CO 0.32 -0.33 2.18 -0.13 -3.33 0.00 0.00 175.10 173.81 2rov s ARG 12 N 1.45 2.30 0.06 1.54 0.52 -1.26 -1.17 118.95 122.39 2rov s ARG 12 Ca 0.01 1.01 -0.31 0.00 -0.52 0.00 0.00 55.73 55.92 2rov s ARG 12 Cb -0.21 -4.53 -0.18 0.00 0.52 0.00 0.00 34.95 30.55 2rov s ARG 12 CO 0.04 -3.12 1.57 -0.91 0.02 0.00 0.00 175.30 172.90 2rov h ASN 13 N 17.30 -0.66 0.00 0.23 2.35 -0.98 -3.38 115.58 130.44 2rov h ASN 13 Ca -0.23 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.21 2rov h ASN 13 Cb 1.21 0.17 -0.05 0.00 0.05 0.00 0.00 38.32 39.70 2rov h ASN 13 CO 1.18 -0.44 -1.77 -0.46 -1.65 0.00 0.00 177.43 174.30 2rov n ASN 14 N -5.41 1.90 0.00 5.81 6.94 -1.26 -5.02 115.26 118.23 2rov n ASN 14 Ca -0.13 0.39 0.00 0.00 -0.02 0.00 0.00 54.58 54.83 2rov n ASN 14 Cb 0.33 -0.89 0.00 0.00 -2.36 0.00 0.00 39.78 36.86 2rov n ASN 14 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 2rov n THR 15 N -4.37 0.00 -0.05 5.53 5.66 -1.26 -4.99 114.28 114.80 2rov n THR 15 Ca -0.40 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.52 2rov n THR 15 Cb 0.74 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.47 2rov n THR 15 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2rov n LYS 16 N 0.00 0.26 -2.06 1.09 4.76 -1.26 -4.88 118.16 116.07 2rov n LYS 16 Ca 0.00 0.08 -0.43 0.00 -2.87 0.00 0.00 58.31 55.09 2rov n LYS 16 Cb 0.00 -1.12 -0.03 0.00 -1.84 0.00 0.00 35.03 32.04 2rov n LYS 16 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2rov s LYS 17 N -2.21 3.46 -0.30 1.97 2.36 -1.26 -4.87 119.74 118.88 2rov s LYS 17 Ca -0.15 1.41 -0.07 0.00 -2.55 0.00 0.00 55.97 54.61 2rov s LYS 17 Cb 0.04 -4.14 0.01 0.00 -1.05 0.00 0.00 37.83 32.69 2rov s LYS 17 CO 0.23 -1.71 0.09 -0.59 1.55 0.00 0.00 175.35 174.93 2rov s PHE 18 N 6.36 3.16 0.00 4.03 -0.12 -1.26 -0.26 117.98 129.90 2rov s PHE 18 Ca 0.76 -0.95 0.00 0.00 -0.05 0.00 0.00 56.93 56.69 2rov s PHE 18 Cb -0.22 -2.27 0.00 0.00 -0.63 0.00 0.00 43.02 39.90 2rov s PHE 18 CO 0.33 -0.57 0.00 0.41 -0.05 0.00 0.00 175.22 175.34 2rov n GLY 19 N 4.88 0.76 3.15 1.99 0.00 -0.32 -4.51 105.19 111.15 2rov n GLY 19 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 1.22 -0.37 -0.17 1.61 0.52 -1.26 -3.71 118.94 116.78 2rov s TRP 20 Ca 0.00 0.86 -0.05 0.00 0.02 0.00 0.00 56.10 56.94 2rov s TRP 20 Cb 0.00 0.11 0.06 0.00 -1.15 0.00 0.00 33.47 32.49 2rov s TRP 20 CO 0.00 -0.21 0.08 0.54 0.02 0.00 0.00 176.95 177.38 2rov s VAL 21 N 0.71 -0.02 -0.37 4.03 0.11 -1.06 -4.87 120.40 118.93 2rov s VAL 21 Ca -0.05 -0.21 -0.29 0.00 -2.93 0.00 0.00 61.98 58.50 2rov s VAL 21 Cb -0.06 -0.63 -0.00 0.00 -1.53 0.00 0.00 36.38 34.16 2rov s VAL 21 CO -0.05 -0.28 1.55 -1.59 -3.33 0.00 0.00 175.10 171.40 2rov s LYS 22 N 2.11 3.52 0.07 1.54 -2.85 -1.24 -2.41 119.74 120.47 2rov s LYS 22 Ca 0.02 1.15 0.01 0.00 -1.00 0.00 0.00 55.97 56.14 2rov s LYS 22 Cb -0.16 -4.08 -0.04 0.00 -2.06 0.00 0.00 37.83 31.49 2rov s LYS 22 CO -0.09 -1.63 0.19 0.15 0.10 0.00 0.00 175.35 174.07 2rov s LYS 23 N 5.14 3.35 -0.52 1.78 -0.14 0.20 -4.68 119.74 124.86 2rov s LYS 23 Ca 0.68 -0.50 -0.27 0.00 -1.36 0.00 0.00 55.97 54.52 2rov s LYS 23 Cb -0.17 -2.98 -0.01 0.00 -1.68 0.00 0.00 37.83 32.99 2rov s LYS 23 CO 0.33 0.59 1.70 -0.47 -0.76 0.00 0.00 175.35 176.74 2rov s TYR 24 N -1.51 1.90 -0.11 3.18 6.14 -1.00 -1.34 117.35 124.61 2rov s TYR 24 Ca 0.34 0.65 -0.04 0.00 0.64 0.00 0.00 57.07 58.66 2rov s TYR 24 Cb -0.13 -4.20 -0.03 0.00 0.42 0.00 0.00 41.96 38.02 2rov s TYR 24 CO 0.27 -2.36 0.03 0.08 0.64 0.00 0.00 175.55 174.21 2rov s VAL 25 N 7.54 4.54 -0.14 3.14 1.01 0.12 -1.02 120.40 135.60 2rov s VAL 25 Ca 0.66 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 2rov s VAL 25 Cb -0.15 -2.95 0.06 0.00 0.00 0.00 0.00 36.38 33.35 2rov s VAL 25 CO 0.25 0.58 0.17 -0.63 0.00 0.00 0.00 175.10 175.47 2rov s ILE 26 N -0.65 -0.25 -0.58 2.22 1.01 -0.88 -0.74 121.20 121.34 2rov s ILE 26 Ca 0.11 0.11 -0.24 0.00 0.00 0.00 0.00 60.65 60.62 2rov s ILE 26 Cb -0.12 -0.47 0.05 0.00 0.01 0.00 0.00 42.46 41.93 2rov s ILE 26 CO 0.02 -0.05 0.96 -0.69 0.00 0.00 0.00 174.94 175.19 2rov s VAL 27 N 2.28 4.35 0.69 2.92 1.01 0.18 -1.88 120.40 129.94 2rov s VAL 27 Ca 0.04 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 2rov s VAL 27 Cb -0.14 -4.58 0.03 0.00 0.00 0.00 0.00 36.38 31.68 2rov s VAL 27 CO -0.08 -1.20 1.05 -0.94 0.00 0.00 0.00 175.10 173.93 2rov s SER 28 N 3.02 5.30 -0.36 3.32 1.04 0.33 -4.07 113.70 122.27 2rov s SER 28 Ca 0.29 0.92 -0.31 0.00 0.48 0.00 0.00 55.95 57.34 2rov s SER 28 Cb -0.13 -1.72 -0.09 0.00 0.10 0.00 0.00 66.02 64.18 2rov s SER 28 CO 0.18 -1.37 2.27 -1.20 0.98 0.00 0.00 173.24 174.10 2rov n SER 29 N -2.94 2.44 -2.39 7.02 7.64 -1.26 -0.86 113.62 123.27 2rov n SER 29 Ca 0.07 0.17 -0.18 0.00 1.01 0.00 0.00 58.87 59.93 2rov n SER 29 Cb 0.58 -1.40 0.02 0.00 -1.01 0.00 0.00 64.21 62.40 2rov n SER 29 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2rov n LYS 30 N 8.55 -3.30 -3.56 1.43 5.02 -1.26 -4.97 118.16 120.07 2rov n LYS 30 Ca 0.38 0.79 -0.08 0.00 -2.02 0.00 0.00 58.31 57.39 2rov n LYS 30 Cb 0.35 -5.33 -0.03 0.00 -0.02 0.00 0.00 35.03 30.00 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 -5.32 0.56 -0.01 1.97 2.20 -0.04 -4.18 119.74 114.92 2rov s LYS 31 Ca 0.18 -0.07 0.05 0.00 -0.36 0.00 0.00 55.97 55.76 2rov s LYS 31 Cb -0.08 0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.49 2rov s LYS 31 CO 0.22 -0.22 -0.15 0.42 -0.36 0.00 0.00 175.35 175.26 2rov s ILE 32 N -2.08 1.22 -0.05 5.43 1.01 0.17 0.12 121.20 127.01 2rov s ILE 32 Ca 0.04 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2rov s ILE 32 Cb -0.01 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.46 2rov s ILE 32 CO -0.04 0.35 -0.08 -0.76 0.00 0.00 0.00 174.94 174.40 2rov s LEU 33 N -0.34 1.53 -0.15 2.97 1.02 -0.79 -0.17 118.68 122.75 2rov s LEU 33 Ca 0.05 -0.20 -0.03 0.00 0.02 0.00 0.00 54.13 53.97 2rov s LEU 33 Cb -0.06 -0.61 -0.03 0.00 0.02 0.00 0.00 46.19 45.51 2rov s LEU 33 CO -0.00 0.00 -0.04 0.12 0.02 0.00 0.00 176.35 176.44 2rov s PHE 34 N 0.69 3.01 0.35 0.29 5.36 0.30 -2.08 117.98 125.90 2rov s PHE 34 Ca -0.12 -0.31 0.03 0.00 -0.96 0.00 0.00 56.93 55.58 2rov s PHE 34 Cb -0.14 -1.95 -0.05 0.00 -0.34 0.00 0.00 43.02 40.54 2rov s PHE 34 CO 0.02 -0.04 0.09 0.71 -1.46 0.00 0.00 175.22 174.53 2rov s TYR 35 N 0.34 1.85 -0.11 10.12 2.02 -0.18 0.11 117.35 131.49 2rov s TYR 35 Ca -0.04 -1.09 0.15 0.00 -0.37 0.00 0.00 57.07 55.71 2rov s TYR 35 Cb -0.14 -1.20 -0.21 0.00 -0.40 0.00 0.00 41.96 40.01 2rov s TYR 35 CO 0.03 -0.13 0.15 -3.47 -1.57 0.00 0.00 175.55 170.56 2rov n ASP 36 N -0.86 1.22 -3.61 2.29 2.03 -1.26 -2.37 116.55 113.98 2rov n ASP 36 Ca -0.03 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.21 2rov n ASP 36 Cb 0.66 1.14 -0.01 0.00 -0.72 0.00 0.00 41.12 42.19 2rov n ASP 36 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2rov s SER 37 N -4.59 -0.18 0.26 1.67 0.01 -1.26 -4.44 113.70 105.17 2rov s SER 37 Ca -0.07 -0.72 0.05 0.00 1.31 0.00 0.00 55.95 56.52 2rov s SER 37 Cb 0.06 0.73 0.32 0.00 0.21 0.00 0.00 66.02 67.35 2rov s SER 37 CO 0.65 -1.38 1.61 -0.08 0.41 0.00 0.00 173.24 174.44 2rov h GLU 38 N 2.00 0.23 -0.34 12.44 4.81 -1.98 -2.45 114.58 129.29 2rov h GLU 38 Ca -0.23 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 2rov h GLU 38 Cb 1.25 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 2rov h GLU 38 CO 0.28 0.71 -0.05 1.96 -0.73 0.00 0.00 179.01 181.17 2rov h GLN 39 N 0.18 0.55 0.00 1.92 4.20 -2.00 -2.39 115.11 117.57 2rov h GLN 39 Ca 0.00 -0.14 -0.19 0.00 0.06 0.00 0.00 58.65 58.38 2rov h GLN 39 Cb 1.01 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 2rov h GLN 39 CO 0.08 0.62 -0.92 0.22 -0.67 0.00 0.00 178.83 178.16 2rov h ASP 40 N 0.52 0.00 0.22 1.46 1.82 -1.90 -3.20 116.42 115.34 2rov h ASP 40 Ca 0.10 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.73 2rov h ASP 40 Cb 0.42 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.43 2rov h ASP 40 CO 0.02 0.92 -0.11 0.50 -1.61 0.00 0.00 179.24 178.96 2rov h LYS 41 N 0.00 -0.28 0.00 0.28 3.11 -1.06 -2.76 116.57 115.86 2rov h LYS 41 Ca -0.01 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2rov h LYS 41 Cb 1.65 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.95 2rov h LYS 41 CO 0.12 -0.00 -0.00 1.05 -2.81 0.00 0.00 179.45 177.80 2rov h GLU 42 N -0.56 0.00 0.00 1.90 -0.00 -1.55 0.51 114.58 114.88 2rov h GLU 42 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 2rov h GLU 42 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.16 2rov h GLU 42 CO 0.05 0.00 0.00 1.04 -0.00 0.00 0.00 179.01 180.10 2rov n GLN 43 N -3.62 0.43 -2.37 1.06 1.13 -1.06 -4.88 117.38 108.08 2rov n GLN 43 Ca -0.03 0.04 -0.15 0.00 -1.94 0.00 0.00 57.00 54.93 2rov n GLN 43 Cb 0.08 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 28.93 2rov n GLN 43 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2rov n SER 44 N -1.24 -4.46 -4.00 1.08 2.88 0.17 -4.97 113.62 103.09 2rov n SER 44 Ca 0.13 -0.05 -0.32 0.00 -1.33 0.00 0.00 58.87 57.31 2rov n SER 44 Cb 0.18 -3.56 -0.10 0.00 -0.75 0.00 0.00 64.21 59.98 2rov n SER 44 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2rov s ASN 45 N -2.43 5.31 0.07 -3.46 3.84 -1.12 -5.08 114.94 112.07 2rov s ASN 45 Ca 0.04 -3.73 -0.31 0.00 0.21 0.00 0.00 52.86 49.07 2rov s ASN 45 Cb -0.02 -1.76 -0.06 0.00 -0.55 0.00 0.00 41.25 38.86 2rov s ASN 45 CO 0.05 -0.14 1.31 -2.16 -2.79 0.00 0.00 177.10 173.36 2rov s PRO 46 N -1.31 4.36 0.18 0.43 0.04 -1.26 -4.70 135.00 132.73 2rov s PRO 46 Ca 0.25 1.92 -0.09 0.00 0.04 0.00 0.00 61.00 63.12 2rov s PRO 46 Cb -0.07 -3.36 0.05 0.00 0.04 0.00 0.00 34.50 31.17 2rov s PRO 46 CO -0.14 -0.39 1.62 -0.92 0.04 0.00 0.00 177.00 177.22 2rov h TYR 47 N 7.01 1.18 -2.23 0.56 3.20 0.47 -3.44 116.97 123.71 2rov h TYR 47 Ca -0.41 -0.22 -0.01 0.00 3.14 0.00 0.00 58.73 61.23 2rov h TYR 47 Cb 1.20 -0.30 -0.24 0.00 1.54 0.00 0.00 36.73 38.93 2rov h TYR 47 CO 0.68 1.05 -0.26 1.41 -1.64 0.00 0.00 178.16 179.40 2rov s MET 48 N -4.96 0.45 -0.17 1.82 1.75 -0.85 -4.97 119.30 112.37 2rov s MET 48 Ca -0.12 1.22 -0.04 0.00 -1.25 0.00 0.00 55.69 55.51 2rov s MET 48 Cb 0.13 0.58 -0.02 0.00 2.84 0.00 0.00 34.83 38.36 2rov s MET 48 CO 0.86 -0.24 -0.04 0.54 -0.65 0.00 0.00 175.02 175.49 2rov s VAL 49 N 2.75 3.72 0.18 10.11 0.11 -1.26 0.11 120.40 136.12 2rov s VAL 49 Ca -0.03 -0.41 0.10 0.00 -2.93 0.00 0.00 61.98 58.71 2rov s VAL 49 Cb -0.12 -2.64 -0.04 0.00 -1.53 0.00 0.00 36.38 32.04 2rov s VAL 49 CO -0.16 0.47 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.17 2rov s LEU 50 N 0.66 2.75 -0.29 2.54 1.02 0.76 -4.96 118.68 121.16 2rov s LEU 50 Ca -0.02 -0.67 -0.12 0.00 0.02 0.00 0.00 54.13 53.33 2rov s LEU 50 Cb -0.14 -1.48 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 2rov s LEU 50 CO 0.02 0.12 0.24 -1.81 0.02 0.00 0.00 176.35 174.94 2rov s ASP 51 N -2.67 6.08 0.31 2.29 1.11 -1.26 0.43 116.67 122.96 2rov s ASP 51 Ca 0.22 -0.00 0.03 0.00 0.18 0.00 0.00 52.55 52.98 2rov s ASP 51 Cb -0.09 -2.14 0.62 0.00 1.07 0.00 0.00 42.92 42.38 2rov s ASP 51 CO 0.13 -0.11 1.89 0.40 1.18 0.00 0.00 175.17 178.65 2rov h ILE 52 N 5.39 0.97 0.00 0.77 2.04 -1.87 0.38 117.51 125.19 2rov h ILE 52 Ca -0.34 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 2rov h ILE 52 Cb 1.18 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2rov h ILE 52 CO 0.58 0.17 -0.30 -0.78 0.00 0.00 0.00 178.15 177.82 2rov h ASP 53 N 0.92 0.00 1.41 1.72 3.58 -1.91 -2.38 116.42 119.76 2rov h ASP 53 Ca 0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.88 2rov h ASP 53 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2rov h ASP 53 CO -0.19 0.30 0.00 0.11 -2.88 0.00 0.00 179.24 176.58 2rov h LYS 54 N 0.00 0.00 -6.86 0.28 1.57 -1.33 -3.46 116.57 106.77 2rov h LYS 54 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2rov h LYS 54 Cb 0.66 0.00 0.18 0.00 0.08 0.00 0.00 32.23 33.15 2rov h LYS 54 CO 0.04 0.00 0.01 1.28 -0.57 0.00 0.00 179.45 180.21 2rov n LEU 55 N -2.51 3.05 -0.04 2.94 4.77 -0.90 -2.59 117.00 121.72 2rov n LEU 55 Ca 0.04 0.69 -0.05 0.00 -0.03 0.00 0.00 56.01 56.66 2rov n LEU 55 Cb 0.40 -1.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.09 2rov n LEU 55 CO 0.29 -2.21 -0.77 0.49 -1.33 0.00 0.00 177.39 173.87 2rov n PHE 56 N -2.28 0.00 -3.65 -1.77 3.72 0.99 -4.86 117.46 109.61 2rov n PHE 56 Ca 0.13 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.51 2rov n PHE 56 Cb 0.49 -0.33 -0.07 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.17 -0.17 -0.07 1.38 2.46 -1.23 -5.00 115.29 110.49 2rov s HIS 57 Ca -0.09 0.38 -0.00 0.00 0.47 0.00 0.00 55.06 55.81 2rov s HIS 57 Cb 0.03 0.28 0.02 0.00 -0.13 0.00 0.00 32.58 32.78 2rov s HIS 57 CO 0.22 -0.09 -0.03 0.54 -2.47 0.00 0.00 174.74 172.91 2rov s VAL 58 N 0.62 0.56 0.09 0.89 0.11 -1.26 -0.53 120.40 120.88 2rov s VAL 58 Ca -0.01 -0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 58.73 2rov s VAL 58 Cb -0.04 -0.64 0.08 0.00 -1.53 0.00 0.00 36.38 34.25 2rov s VAL 58 CO -0.12 0.27 0.67 0.00 -3.33 0.00 0.00 175.10 172.58 2rov s ARG 59 N 1.49 1.15 0.61 1.54 1.04 -0.64 -4.96 118.95 119.18 2rov s ARG 59 Ca -0.02 -0.32 -0.18 0.00 -1.04 0.00 0.00 55.73 54.17 2rov s ARG 59 Cb -0.13 0.53 -0.04 0.00 -2.04 0.00 0.00 34.95 33.27 2rov s ARG 59 CO -0.03 -0.48 0.99 -0.35 -0.04 0.00 0.00 175.30 175.38 2rov n PRO 60 N -0.14 0.90 -2.70 3.89 -0.04 -1.26 -1.69 135.00 133.95 2rov n PRO 60 Ca -0.16 0.35 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 2rov n PRO 60 Cb 0.63 -2.20 0.06 0.00 -0.04 0.00 0.00 33.50 31.95 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 -1.51 2.48 0.16 0.52 -7.23 0.48 -4.77 120.40 110.52 2rov s VAL 61 Ca 0.77 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 2rov s VAL 61 Cb -0.41 -2.77 -0.00 0.00 0.56 0.00 0.00 36.38 33.76 2rov s VAL 61 CO 0.46 0.00 0.01 0.35 -0.31 0.00 0.00 175.10 175.62 2rov n THR 62 N -2.44 0.00 0.32 5.32 -2.24 -1.26 -4.60 114.28 109.38 2rov n THR 62 Ca 0.11 -0.78 0.10 0.00 -2.27 0.00 0.00 64.05 61.21 2rov n THR 62 Cb 0.60 0.19 0.45 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.38 0.13 0.16 -0.78 -0.06 -1.26 -1.80 117.38 113.39 2rov n GLN 63 Ca -0.06 0.45 0.08 0.00 -2.00 0.00 0.00 57.00 55.48 2rov n GLN 63 Cb 0.21 -1.80 0.07 0.00 -4.06 0.00 0.00 30.24 24.66 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 0.32 0.00 1.69 1.35 -2.02 -3.27 112.91 110.98 2rov h THR 64 Ca 0.00 -1.49 -0.10 0.00 -0.55 0.00 0.00 66.41 64.28 2rov h THR 64 Cb 0.23 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 2rov h THR 64 CO 0.00 0.19 -0.45 -0.78 -0.25 0.00 0.00 175.52 174.22 2rov h ASP 65 N 0.00 0.00 -5.26 5.36 1.82 -1.75 -3.46 116.42 113.14 2rov h ASP 65 Ca -0.02 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.52 2rov h ASP 65 Cb 1.18 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 41.06 2rov h ASP 65 CO 0.03 0.45 -0.35 0.68 -1.61 0.00 0.00 179.24 178.44 2rov s VAL 66 N -3.73 0.08 0.04 2.25 -7.23 -1.23 -5.05 120.40 105.52 2rov s VAL 66 Ca -0.01 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 2rov s VAL 66 Cb 0.12 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.29 2rov s VAL 66 CO 0.72 -0.37 0.00 0.00 -0.31 0.00 0.00 175.10 175.14 2rov n TYR 67 N -0.18 -0.16 0.27 2.82 4.11 -1.26 -4.75 117.16 118.00 2rov n TYR 67 Ca -0.09 0.03 0.11 0.00 -0.00 0.00 0.00 57.90 57.95 2rov n TYR 67 Cb 0.63 0.14 0.72 0.00 -0.00 0.00 0.00 39.34 40.82 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 -3.43 114.38 105.49 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 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.54 2rov h ARG 68 CO 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 179.97 180.03 2rov n ALA 69 N -2.42 0.00 -2.53 0.08 0.00 -1.26 -5.04 120.51 109.34 2rov n ALA 69 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 2rov n ALA 69 Cb 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.89 2.04 0.56 0.00 2.15 -1.26 -5.01 116.67 113.26 2rov s ASP 70 Ca 0.00 -0.40 0.32 0.00 0.43 0.00 0.00 52.55 52.90 2rov s ASP 70 Cb 0.00 -0.19 1.46 0.00 -0.30 0.00 0.00 42.92 43.89 2rov s ASP 70 CO 0.00 0.15 1.83 0.00 -0.17 0.00 0.00 175.17 176.98 2rov h ALA 71 N 5.30 2.73 -0.00 3.66 0.00 -1.96 0.63 119.26 129.62 2rov h ALA 71 Ca -0.38 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 2rov h ALA 71 Cb 1.16 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2rov h ALA 71 CO 0.46 -1.13 -0.82 0.87 0.00 0.00 0.00 179.25 178.63 2rov h LYS 72 N 0.00 0.08 0.10 0.00 1.57 -2.03 -3.25 116.57 113.05 2rov h LYS 72 Ca 0.40 -0.09 -0.26 0.00 -1.87 0.00 0.00 60.65 58.84 2rov h LYS 72 Cb 1.79 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.12 2rov h LYS 72 CO -0.00 0.85 -1.18 0.93 -0.57 0.00 0.00 179.45 179.48 2rov h GLU 73 N 0.05 0.24 -0.66 3.15 4.39 -0.20 -3.35 114.58 118.20 2rov h GLU 73 Ca -0.02 -0.39 0.12 0.00 0.34 0.00 0.00 59.36 59.40 2rov h GLU 73 Cb 1.43 0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 30.10 2rov h GLU 73 CO 0.11 1.17 -0.30 0.82 -1.16 0.00 0.00 179.01 179.66 2rov h ILE 74 N 0.07 0.19 0.00 3.13 1.08 -1.20 0.57 117.51 121.35 2rov h ILE 74 Ca -0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2rov h ILE 74 Cb 1.90 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.84 2rov h ILE 74 CO 0.19 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.84 2rov n PRO 75 N -5.45 0.03 -0.21 2.37 -0.04 -1.26 -1.85 135.00 128.60 2rov n PRO 75 Ca 0.06 0.35 0.08 0.00 -0.04 0.00 0.00 63.50 63.95 2rov n PRO 75 Cb 0.36 -1.57 0.19 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.63 2.54 -4.73 0.54 1.74 0.19 -4.76 116.66 110.55 2rov n ARG 76 Ca 0.02 -2.15 -0.33 0.00 -0.77 0.00 0.00 57.85 54.62 2rov n ARG 76 Cb 0.13 -1.38 -0.16 0.00 -1.02 0.00 0.00 32.46 30.04 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 -1.06 2.52 0.09 0.55 1.01 -0.67 0.10 121.20 123.75 2rov s ILE 77 Ca 0.31 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 60.21 2rov s ILE 77 Cb 0.17 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2rov s ILE 77 CO 0.22 0.53 -0.21 0.72 0.00 0.00 0.00 174.94 176.20 2rov s PHE 78 N 0.64 1.82 0.05 3.97 -0.71 -0.91 -0.39 117.98 122.45 2rov s PHE 78 Ca -0.09 -0.41 0.06 0.00 -1.04 0.00 0.00 56.93 55.45 2rov s PHE 78 Cb -0.16 -1.02 -0.03 0.00 -1.21 0.00 0.00 43.02 40.60 2rov s PHE 78 CO 0.02 0.19 -0.12 -1.14 -1.34 0.00 0.00 175.22 172.83 2rov s GLN 79 N -1.74 2.23 -0.17 1.99 0.74 -0.68 -1.34 119.66 120.69 2rov s GLN 79 Ca 0.07 -0.92 -0.01 0.00 0.05 0.00 0.00 55.36 54.56 2rov s GLN 79 Cb -0.10 -2.32 0.04 0.00 1.10 0.00 0.00 33.01 31.74 2rov s GLN 79 CO 0.04 0.55 -0.04 0.42 -0.55 0.00 0.00 175.29 175.71 2rov s ILE 80 N -1.03 1.04 0.06 -2.34 1.01 -0.63 -1.63 121.20 117.68 2rov s ILE 80 Ca 0.17 -0.61 -0.21 0.00 0.00 0.00 0.00 60.65 60.00 2rov s ILE 80 Cb -0.11 -1.25 -0.06 0.00 0.01 0.00 0.00 42.46 41.05 2rov s ILE 80 CO 0.08 0.09 0.61 -0.22 0.00 0.00 0.00 174.94 175.51 2rov s LEU 81 N 1.66 4.50 -0.04 2.97 2.96 0.31 -0.47 118.68 130.56 2rov s LEU 81 Ca 0.00 1.29 -0.07 0.00 -0.22 0.00 0.00 54.13 55.14 2rov s LEU 81 Cb -0.15 -2.97 0.01 0.00 0.50 0.00 0.00 46.19 43.57 2rov s LEU 81 CO -0.08 0.20 0.17 -0.72 -1.32 0.00 0.00 176.35 174.61 2rov s TYR 82 N -0.77 -0.11 -0.19 5.38 1.13 0.03 -0.01 117.35 122.81 2rov s TYR 82 Ca 0.31 0.26 -0.29 0.00 -1.41 0.00 0.00 57.07 55.94 2rov s TYR 82 Cb -0.20 0.03 -0.01 0.00 -1.10 0.00 0.00 41.96 40.68 2rov s TYR 82 CO 0.20 -0.18 1.24 0.00 -2.51 0.00 0.00 175.55 174.29 2rov s ALA 83 N -0.50 3.64 -0.20 9.51 0.00 -1.07 -1.84 121.76 131.31 2rov s ALA 83 Ca -0.06 0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 2rov s ALA 83 Cb -0.04 -3.63 -0.20 0.00 0.00 0.00 0.00 23.12 19.25 2rov s ALA 83 CO 0.01 -1.22 0.11 0.27 0.00 0.00 0.00 175.76 174.94 2rov n ASN 84 N 6.67 1.99 0.00 0.00 0.23 -1.26 -4.83 115.26 118.06 2rov n ASN 84 Ca 0.14 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.43 2rov n ASN 84 Cb 0.45 -0.82 0.00 0.00 -2.08 0.00 0.00 39.78 37.33 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 -3.88 0.00 0.00 -3.83 -0.58 -1.26 -5.06 120.64 106.02 2rov n GLU 85 Ca -0.38 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.36 2rov n GLU 85 Cb 0.89 -0.74 0.00 0.00 -0.57 0.00 0.00 31.44 31.02 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 2.92 1.63 1.83 0.62 0.00 -1.26 -5.08 105.19 105.85 2rov n GLY 86 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.07 -0.61 -0.00 -1.26 -4.72 119.36 112.77 2rov n ILE 87 Ca 0.00 0.02 0.11 0.00 -0.00 0.00 0.00 62.75 62.88 2rov n ILE 87 Cb 0.00 -0.33 0.49 0.00 -0.00 0.00 0.00 39.64 39.80 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 0.37 1.54 4.38 0.87 -2.00 0.13 113.55 118.84 2rov h SER 88 Ca 0.00 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rov h SER 88 Cb 0.00 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2rov h SER 88 CO 0.00 0.23 -0.00 0.28 -0.53 0.00 0.00 176.83 176.81 2rov h SER 89 N 0.42 0.00 -1.16 6.23 0.02 -1.97 -3.46 113.55 113.63 2rov h SER 89 Ca 0.26 0.00 -0.83 0.00 -0.84 0.00 0.00 61.79 60.38 2rov h SER 89 Cb 0.47 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.02 2rov h SER 89 CO -0.07 0.00 0.77 0.00 -1.14 0.00 0.00 176.83 176.40 2rov n ALA 90 N -2.10 -0.95 -2.21 3.77 0.00 0.44 -4.70 120.51 114.76 2rov n ALA 90 Ca 0.02 0.46 -0.18 0.00 0.00 0.00 0.00 53.44 53.74 2rov n ALA 90 Cb 0.43 -2.02 0.13 0.00 0.00 0.00 0.00 19.45 17.98 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 4.51 -0.42 -4.23 0.00 4.76 -0.77 -4.75 118.16 117.27 2rov n LYS 91 Ca 0.30 -1.97 -0.13 0.00 -2.87 0.00 0.00 58.31 53.63 2rov n LYS 91 Cb 0.00 -0.77 -0.10 0.00 -1.84 0.00 0.00 35.03 32.32 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 -4.55 1.27 -0.18 4.39 6.03 -1.26 -0.79 114.94 119.85 2rov s ASN 92 Ca 0.57 -1.14 0.00 0.00 -1.03 0.00 0.00 52.86 51.26 2rov s ASN 92 Cb -0.02 0.10 0.04 0.00 -3.03 0.00 0.00 41.25 38.34 2rov s ASN 92 CO 0.38 -0.53 -0.09 -0.22 -2.03 0.00 0.00 177.10 174.61 2rov s LEU 93 N -3.16 2.02 -0.23 3.54 0.20 0.38 -4.90 118.68 116.53 2rov s LEU 93 Ca 0.22 -0.78 -0.18 0.00 0.69 0.00 0.00 54.13 54.08 2rov s LEU 93 Cb 0.06 -1.13 -0.03 0.00 -0.43 0.00 0.00 46.19 44.65 2rov s LEU 93 CO 0.03 -0.15 0.51 -0.76 -0.29 0.00 0.00 176.35 175.69 2rov s LEU 94 N 1.48 4.10 -0.21 -0.68 2.01 -1.26 -1.60 118.68 122.51 2rov s LEU 94 Ca -0.00 0.59 0.01 0.00 0.01 0.00 0.00 54.13 54.74 2rov s LEU 94 Cb -0.16 -2.67 0.04 0.00 0.01 0.00 0.00 46.19 43.41 2rov s LEU 94 CO -0.08 -0.23 -0.11 -0.76 1.01 0.00 0.00 176.35 176.18 2rov s LEU 95 N 1.97 2.39 -0.40 1.79 1.43 -0.45 -4.36 118.68 121.05 2rov s LEU 95 Ca 0.22 -0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 52.16 2rov s LEU 95 Cb -0.15 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.81 2rov s LEU 95 CO 0.09 -0.15 0.77 -0.22 0.23 0.00 0.00 176.35 177.07 2rov s LEU 96 N 1.36 4.20 -0.01 1.79 2.96 0.17 -2.15 118.68 127.00 2rov s LEU 96 Ca -0.02 0.13 -0.25 0.00 -0.22 0.00 0.00 54.13 53.77 2rov s LEU 96 Cb -0.17 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 2rov s LEU 96 CO -0.08 -0.80 0.76 0.00 -1.32 0.00 0.00 176.35 174.91 2rov s ALA 97 N 3.14 3.33 0.61 5.97 0.00 0.29 -1.28 121.76 133.81 2rov s ALA 97 Ca 0.30 0.24 0.29 0.00 0.00 0.00 0.00 51.96 52.79 2rov s ALA 97 Cb -0.13 -3.01 1.59 0.00 0.00 0.00 0.00 23.12 21.57 2rov s ALA 97 CO 0.19 -0.05 1.98 -2.95 0.00 0.00 0.00 175.76 174.94 2rov h ASN 98 N 6.32 0.00 -4.23 0.00 7.08 -1.86 -3.41 115.58 119.48 2rov h ASN 98 Ca -0.42 0.00 -0.28 0.00 -3.08 0.00 0.00 56.30 52.52 2rov h ASN 98 Cb 1.20 0.00 -0.26 0.00 -2.08 0.00 0.00 38.32 37.19 2rov h ASN 98 CO 0.73 0.00 -0.74 -0.44 -2.08 0.00 0.00 177.43 174.91 2rov s SER 99 N -5.26 0.54 0.22 6.14 0.01 -1.26 -5.05 113.70 109.04 2rov s SER 99 Ca -0.04 -0.25 -0.08 0.00 1.31 0.00 0.00 55.95 56.89 2rov s SER 99 Cb 0.14 -0.01 0.31 0.00 0.21 0.00 0.00 66.02 66.67 2rov s SER 99 CO 0.49 -0.06 1.76 0.74 0.41 0.00 0.00 173.24 176.59 2rov h THR 100 N 4.85 0.81 -0.77 1.44 2.02 -1.86 -0.56 112.91 118.85 2rov h THR 100 Ca -0.30 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 66.82 2rov h THR 100 Cb 1.20 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 2rov h THR 100 CO 0.47 0.09 0.51 -0.33 0.37 0.00 0.00 175.52 176.63 2rov h GLU 101 N 0.51 0.61 -0.54 6.66 5.08 -1.96 -0.44 114.58 124.50 2rov h GLU 101 Ca 0.33 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2rov h GLU 101 Cb 0.37 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2rov h GLU 101 CO -0.28 0.40 0.14 1.49 -1.00 0.00 0.00 179.01 179.76 2rov h GLU 102 N 0.63 0.82 -0.20 2.33 4.57 -1.48 -2.03 114.58 119.21 2rov h GLU 102 Ca 0.36 -0.16 -0.13 0.00 -1.18 0.00 0.00 59.36 58.26 2rov h GLU 102 Cb 0.56 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2rov h GLU 102 CO -0.14 0.73 -0.41 0.37 -1.18 0.00 0.00 179.01 178.38 2rov h GLN 103 N 0.79 0.47 -0.39 1.92 -0.00 -0.92 -0.39 115.11 116.59 2rov h GLN 103 Ca 0.18 -0.24 -0.14 0.00 -0.00 0.00 0.00 58.65 58.45 2rov h GLN 103 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.74 2rov h GLN 103 CO -0.00 0.80 -0.31 1.96 0.00 0.00 0.00 178.83 181.28 2rov h GLN 104 N 0.39 0.86 0.01 1.69 1.08 -0.99 -1.98 115.11 116.17 2rov h GLN 104 Ca 0.03 -0.41 -0.09 0.00 -1.45 0.00 0.00 58.65 56.74 2rov h GLN 104 Cb 0.89 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.32 2rov h GLN 104 CO 0.08 1.05 -0.35 1.57 -0.95 0.00 0.00 178.83 180.22 2rov h LYS 105 N 0.72 0.22 0.04 1.46 2.10 -1.29 -1.98 116.57 117.85 2rov h LYS 105 Ca 0.08 -0.25 0.01 0.00 -2.00 0.00 0.00 60.65 58.48 2rov h LYS 105 Cb 0.87 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.26 2rov h LYS 105 CO 0.08 0.99 -0.08 -1.49 -2.00 0.00 0.00 179.45 176.95 2rov h TRP 106 N -0.44 -0.20 0.06 0.07 4.06 -1.12 0.49 115.95 118.87 2rov h TRP 106 Ca -0.05 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 2rov h TRP 106 Cb 1.12 0.08 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 2rov h TRP 106 CO 0.18 -0.13 -0.03 0.28 -3.56 0.00 0.00 178.44 175.18 2rov h VAL 107 N -0.16 1.09 -0.48 1.49 2.07 -1.48 0.20 116.25 118.97 2rov h VAL 107 Ca 0.02 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2rov h VAL 107 Cb 0.18 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2rov h VAL 107 CO -0.05 0.13 0.18 -1.28 0.02 0.00 0.00 177.57 176.57 2rov h SER 108 N -0.32 0.62 0.10 0.57 0.87 -1.28 0.27 113.55 114.37 2rov h SER 108 Ca -0.01 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2rov h SER 108 Cb 0.28 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2rov h SER 108 CO 0.01 0.57 -0.05 0.03 -0.53 0.00 0.00 176.83 176.87 2rov h ARG 109 N 0.68 -0.12 -0.48 2.24 2.47 0.09 -1.43 114.38 117.83 2rov h ARG 109 Ca 0.16 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.86 2rov h ARG 109 Cb 0.16 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 2rov h ARG 109 CO -0.01 0.36 0.16 1.37 0.56 0.00 0.00 179.97 182.41 2rov h LEU 110 N -0.91 0.64 -0.17 3.04 8.10 -0.58 -1.82 115.31 123.61 2rov h LEU 110 Ca -0.01 -0.09 -0.13 0.00 0.11 0.00 0.00 57.88 57.76 2rov h LEU 110 Cb 0.54 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 2rov h LEU 110 CO 0.02 0.61 -0.41 1.62 -4.11 0.00 0.00 178.44 176.17 2rov h VAL 111 N 0.69 1.34 -0.15 0.15 3.04 -0.56 -3.05 116.25 117.71 2rov h VAL 111 Ca 0.16 -1.66 0.00 0.00 -1.01 0.00 0.00 66.70 64.19 2rov h VAL 111 Cb 0.19 1.94 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 2rov h VAL 111 CO -0.01 0.51 0.10 0.11 -1.01 0.00 0.00 177.57 177.27 2rov h LYS 112 N 0.25 0.19 0.00 4.17 1.57 -0.96 0.00 116.57 121.79 2rov h LYS 112 Ca -0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2rov h LYS 112 Cb 1.02 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2rov h LYS 112 CO 0.09 0.13 -0.18 0.87 -0.57 0.00 0.00 179.45 179.78 2rov h LYS 113 N 0.20 0.00 -6.75 3.15 1.79 -1.23 -3.44 116.57 110.29 2rov h LYS 113 Ca 0.06 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.00 2rov h LYS 113 Cb -0.01 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.69 2rov h LYS 113 CO -0.01 0.18 0.69 0.42 -1.08 0.00 0.00 179.45 179.65 2rov s ILE 114 N -3.82 2.90 0.07 1.86 1.01 -0.01 -4.81 121.20 118.39 2rov s ILE 114 Ca -0.01 0.78 -0.16 0.00 0.00 0.00 0.00 60.65 61.27 2rov s ILE 114 Cb 0.11 -3.50 -0.18 0.00 0.01 0.00 0.00 42.46 38.90 2rov s ILE 114 CO 0.61 0.14 1.24 1.55 0.00 0.00 0.00 174.94 178.48 2rov h PRO 115 N 4.76 0.64 -1.10 2.79 0.13 -1.85 -3.25 132.00 134.12 2rov h PRO 115 Ca -0.46 -0.55 -0.58 0.00 -0.87 0.00 0.00 66.00 63.54 2rov h PRO 115 Cb 1.22 0.12 -0.26 0.00 0.13 0.00 0.00 31.00 32.21 2rov h PRO 115 CO 0.75 1.17 0.75 1.63 -0.23 0.00 0.00 178.00 182.06 2rov n LYS 116 N -4.08 2.44 0.00 0.86 4.76 -1.26 -5.19 118.16 115.69 2rov n LYS 116 Ca -0.08 -2.88 0.00 0.00 -2.87 0.00 0.00 58.31 52.48 2rov n LYS 116 Cb 0.69 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 2rov n LYS 116 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20