#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p3f n PRO 4 N 0.00 1.02 -2.79 2.98 -0.04 -1.26 -4.91 135.00 130.00 2p3f n PRO 4 Ca 0.00 0.36 -0.43 0.00 -0.04 0.00 0.00 63.50 63.39 2p3f n PRO 4 Cb 0.00 -1.68 -0.04 0.00 -0.04 0.00 0.00 33.50 31.74 2p3f n PRO 4 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2p3f s GLU 5 N -1.52 3.35 0.80 0.54 -6.30 -1.26 -4.78 118.70 109.53 2p3f s GLU 5 Ca 0.61 -0.20 -0.10 0.00 -2.50 0.00 0.00 54.97 52.77 2p3f s GLU 5 Cb -0.71 -4.06 0.07 0.00 0.00 0.00 0.00 34.13 29.44 2p3f s GLU 5 CO 0.59 -1.56 1.10 0.00 0.02 0.00 0.00 175.26 175.41 2p3f s GLY 7 N -3.28 1.87 -0.04 0.00 0.00 -1.26 -4.98 107.32 99.64 2p3f s GLY 7 Ca 0.62 -1.70 -0.37 0.00 0.00 0.00 0.00 44.72 43.28 2p3f s GLY 7 CO 0.56 -1.58 1.62 -2.21 0.00 0.00 0.00 173.10 171.49 2p3f n GLU 8 N -1.49 1.58 -0.68 2.90 2.13 -1.26 -1.01 120.64 122.81 2p3f n GLU 8 Ca 0.01 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.40 2p3f n GLU 8 Cb 0.60 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 30.01 2p3f n GLU 8 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2p3f n ASN 9 N 4.40 -0.52 -4.42 4.31 3.02 -1.26 -4.75 115.26 116.03 2p3f n ASN 9 Ca 0.21 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.51 2p3f n ASN 9 Cb 0.22 -0.09 -0.11 0.00 -0.61 0.00 0.00 39.78 39.19 2p3f n ASN 9 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2p3f s GLU 10 N -0.32 1.51 0.40 3.52 2.02 -0.18 -1.73 118.70 123.92 2p3f s GLU 10 Ca 0.00 -1.55 0.06 0.00 0.02 0.00 0.00 54.97 53.50 2p3f s GLU 10 Cb 0.00 -1.76 -0.08 0.00 0.10 0.00 0.00 34.13 32.39 2p3f s GLU 10 CO 0.00 0.37 0.02 1.67 0.02 0.00 0.00 175.26 177.34 2p3f s TRP 11 N -1.86 2.42 -0.39 1.61 1.48 0.37 -4.46 118.94 118.12 2p3f s TRP 11 Ca 0.22 -0.72 -0.14 0.00 -1.06 0.00 0.00 56.10 54.40 2p3f s TRP 11 Cb -0.07 -1.70 0.01 0.00 -1.16 0.00 0.00 33.47 30.55 2p3f s TRP 11 CO 0.10 0.38 0.27 -1.17 -4.06 0.00 0.00 176.95 172.47 2p3f s LEU 12 N -3.68 4.90 -1.06 -4.66 2.96 -1.26 -0.91 118.68 114.96 2p3f s LEU 12 Ca 0.35 -0.79 -0.17 0.00 -0.22 0.00 0.00 54.13 53.30 2p3f s LEU 12 Cb 0.10 -2.13 0.14 0.00 0.50 0.00 0.00 46.19 44.79 2p3f s LEU 12 CO 0.17 -0.38 1.29 -0.62 -1.32 0.00 0.00 176.35 175.49 2p3f s ASP 13 N 1.67 6.82 0.00 3.68 2.15 -0.57 -4.88 116.67 125.54 2p3f s ASP 13 Ca 0.05 -2.44 0.00 0.00 0.43 0.00 0.00 52.55 50.59 2p3f s ASP 13 Cb -0.19 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2p3f s ASP 13 CO 0.10 -0.95 0.04 -0.90 -0.17 0.00 0.00 175.17 173.29 2p3f n ASP 14 N 6.33 0.10 0.00 -0.34 5.75 -1.26 -0.59 116.55 126.55 2p3f n ASP 14 Ca 0.31 -0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 2p3f n ASP 14 Cb 0.46 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2p3f n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2p3f n GLY 16 N 0.00 0.95 0.06 0.00 0.00 0.24 -1.17 105.19 105.27 2p3f n GLY 16 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2p3f n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2p3f n THR 17 N 0.00 0.40 -0.00 2.61 -2.24 -1.26 -0.93 114.28 112.85 2p3f n THR 17 Ca 0.00 0.58 0.02 0.00 -2.27 0.00 0.00 64.05 62.38 2p3f n THR 17 Cb 0.00 -1.58 -0.12 0.00 -2.10 0.00 0.00 70.33 66.53 2p3f n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2p3f n GLN 18 N -1.38 0.65 0.00 -0.78 1.13 -1.26 -3.73 117.38 112.01 2p3f n GLN 18 Ca -0.00 0.04 -0.10 0.00 -1.94 0.00 0.00 57.00 55.01 2p3f n GLN 18 Cb 0.45 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 2p3f n GLN 18 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2p3f h LYS 19 N 0.00 -0.14 -0.93 -1.09 1.63 -1.38 -1.89 116.57 112.78 2p3f h LYS 19 Ca -0.19 0.01 0.27 0.00 -0.85 0.00 0.00 60.65 59.88 2p3f h LYS 19 Cb 1.53 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 33.15 2p3f h LYS 19 CO 0.03 -0.09 1.02 -1.00 -3.45 0.00 0.00 179.45 175.96 2p3f h PRO 20 N -0.14 0.00 -0.22 1.90 0.13 -1.76 0.26 132.00 132.17 2p3f h PRO 20 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2p3f h PRO 20 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 2p3f h PRO 20 CO -0.20 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.57 2p3f n GLU 22 N 1.19 1.34 -2.33 0.00 1.02 0.92 -4.88 120.64 117.90 2p3f n GLU 22 Ca 0.17 0.47 -0.43 0.00 -0.02 0.00 0.00 57.16 57.36 2p3f n GLU 22 Cb 0.55 -1.84 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 2p3f n GLU 22 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2p3f s ALA 23 N -1.05 3.62 -0.14 0.62 0.00 -1.26 -4.95 121.76 118.60 2p3f s ALA 23 Ca 0.59 0.61 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 2p3f s ALA 23 Cb -0.70 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 18.74 2p3f s ALA 23 CO 0.60 -1.13 0.32 0.15 0.00 0.00 0.00 175.76 175.70 2p3f s LYS 24 N 3.30 4.20 0.00 0.00 1.02 -1.26 -1.12 119.74 125.87 2p3f s LYS 24 Ca 0.59 0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.75 2p3f s LYS 24 Cb -0.25 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 2p3f s LYS 24 CO 0.19 0.30 0.50 0.00 -0.92 0.00 0.00 175.35 175.42 2p3f s ASN 26 N -2.89 5.34 0.00 0.00 3.84 -1.26 -4.81 114.94 115.15 2p3f s ASN 26 Ca 0.00 -0.49 0.00 0.00 0.21 0.00 0.00 52.86 52.58 2p3f s ASN 26 Cb 0.00 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 2p3f s ASN 26 CO 0.00 -2.51 0.00 -1.84 -2.79 0.00 0.00 177.10 169.96 2p3f n GLU 27 N 8.96 0.00 -1.48 0.43 0.28 -0.49 -5.02 120.64 123.32 2p3f n GLU 27 Ca 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 2p3f n GLU 27 Cb 0.49 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.36 2p3f n GLU 27 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2p3f n GLU 28 N 0.00 0.00 -1.62 3.44 4.71 -1.26 -4.98 120.64 120.92 2p3f n GLU 28 Ca 0.00 0.49 -0.36 0.00 -0.01 0.00 0.00 57.16 57.28 2p3f n GLU 28 Cb 0.00 -1.41 0.08 0.00 -1.01 0.00 0.00 31.44 29.10 2p3f n GLU 28 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 2p3f s PRO 29 N -0.86 2.38 0.83 3.49 0.02 -1.26 -5.04 135.00 134.56 2p3f s PRO 29 Ca 0.00 1.98 -0.11 0.00 0.02 0.00 0.00 61.00 62.89 2p3f s PRO 29 Cb 0.00 -1.84 0.09 0.00 0.02 0.00 0.00 34.50 32.78 2p3f s PRO 29 CO 0.00 -1.71 1.09 -2.14 -0.33 0.00 0.00 177.00 173.91 2p3f s PRO 30 N -3.55 1.77 0.50 5.54 0.02 -1.26 -4.89 135.00 133.13 2p3f s PRO 30 Ca 0.80 0.90 0.29 0.00 0.02 0.00 0.00 61.00 63.01 2p3f s PRO 30 Cb -0.35 -1.86 1.11 0.00 0.02 0.00 0.00 34.50 33.42 2p3f s PRO 30 CO 0.42 -1.91 1.89 0.93 -0.33 0.00 0.00 177.00 178.00 2p3f h GLU 31 N -1.31 0.00 -2.90 5.54 4.39 -2.07 -3.40 114.58 114.84 2p3f h GLU 31 Ca -0.47 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.02 2p3f h GLU 31 Cb 1.26 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 29.59 2p3f h GLU 31 CO 0.54 0.07 -0.52 -2.00 -1.16 0.00 0.00 179.01 175.95 2p3f s GLU 32 N -3.61 0.16 0.81 2.33 -6.30 -1.26 -5.14 118.70 105.69 2p3f s GLU 32 Ca 0.02 0.70 -0.13 0.00 -2.50 0.00 0.00 54.97 53.06 2p3f s GLU 32 Cb 0.09 -0.06 0.09 0.00 0.00 0.00 0.00 34.13 34.25 2p3f s GLU 32 CO 0.59 -0.25 1.19 -1.83 0.02 0.00 0.00 175.26 174.97 2p3f s GLU 33 N 2.13 1.61 -0.04 4.30 -1.05 -1.26 -4.81 118.70 119.58 2p3f s GLU 33 Ca -0.01 1.70 -0.32 0.00 -0.15 0.00 0.00 54.97 56.18 2p3f s GLU 33 Cb -0.12 -1.78 -0.10 0.00 -0.44 0.00 0.00 34.13 31.69 2p3f s GLU 33 CO -0.09 -2.22 1.94 -3.47 0.95 0.00 0.00 175.26 172.38 2p3f n ASP 34 N -3.40 3.77 0.13 0.83 -0.08 -1.26 -4.74 116.55 111.81 2p3f n ASP 34 Ca 0.13 0.91 0.11 0.00 -1.51 0.00 0.00 54.79 54.42 2p3f n ASP 34 Cb 0.51 -1.45 0.50 0.00 2.34 0.00 0.00 41.12 43.02 2p3f n ASP 34 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2p3f n PRO 35 N 7.17 0.15 0.28 -0.67 -0.04 -1.26 -1.33 135.00 139.30 2p3f n PRO 35 Ca 0.22 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.33 2p3f n PRO 35 Cb 0.35 -1.88 0.81 0.00 -0.04 0.00 0.00 33.50 32.75 2p3f n PRO 35 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2p3f h ILE 36 N 0.00 0.62 0.00 0.52 -0.00 -1.88 0.31 117.51 117.08 2p3f h ILE 36 Ca 0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 64.86 64.66 2p3f h ILE 36 Cb 0.18 1.12 -0.00 0.00 -0.00 0.00 0.00 36.82 38.12 2p3f h ILE 36 CO 0.00 0.05 -0.03 0.00 -0.00 0.00 0.00 178.15 178.16 2p3f n ARG 38 N -3.21 1.59 -2.20 0.00 1.74 0.11 -4.90 116.66 109.79 2p3f n ARG 38 Ca -0.01 -0.98 -0.41 0.00 -0.77 0.00 0.00 57.85 55.68 2p3f n ARG 38 Cb 0.23 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 2p3f n ARG 38 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2p3f s SER 39 N -2.09 6.89 -0.15 0.55 0.15 -0.86 -4.88 113.70 113.31 2p3f s SER 39 Ca 0.35 2.52 0.10 0.00 0.70 0.00 0.00 55.95 59.62 2p3f s SER 39 Cb 0.21 -2.63 0.57 0.00 -1.71 0.00 0.00 66.02 62.45 2p3f s SER 39 CO 0.37 -0.47 1.38 0.54 1.20 0.00 0.00 173.24 176.25 2p3f n ARG 40 N 1.54 3.60 -3.63 5.44 3.00 -1.26 -4.91 116.66 120.45 2p3f n ARG 40 Ca 0.02 -2.19 -0.28 0.00 -0.01 0.00 0.00 57.85 55.39 2p3f n ARG 40 Cb 0.43 -1.98 -0.03 0.00 0.00 0.00 0.00 32.46 30.87 2p3f n ARG 40 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2p3f s GLY 41 N -0.59 1.85 -1.14 -0.13 0.00 -1.26 -4.99 107.32 101.05 2p3f s GLY 41 Ca 0.38 -0.75 -0.12 0.00 0.00 0.00 0.00 44.72 44.23 2p3f s GLY 41 CO 0.13 -0.69 1.27 0.00 0.00 0.00 0.00 173.10 173.81 2p3f n LEU 43 N 4.58 1.32 -4.13 0.00 4.77 -1.26 -4.98 117.00 117.29 2p3f n LEU 43 Ca 0.30 -0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 55.76 2p3f n LEU 43 Cb 0.42 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 2p3f n LEU 43 CO 0.55 0.23 -0.05 -0.76 -1.33 0.00 0.00 177.39 176.04 2p3f s LEU 44 N -2.32 0.96 0.41 2.23 1.43 -0.32 -4.99 118.68 116.08 2p3f s LEU 44 Ca 0.28 -1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 51.85 2p3f s LEU 44 Cb 0.20 0.97 -0.11 0.00 0.03 0.00 0.00 46.19 47.28 2p3f s LEU 44 CO 0.46 -1.02 0.96 -2.16 0.23 0.00 0.00 176.35 174.81 2p3f s PRO 45 N -3.86 4.26 0.13 1.29 0.04 -1.26 -3.79 135.00 131.81 2p3f s PRO 45 Ca 0.33 1.19 -0.34 0.00 0.04 0.00 0.00 61.00 62.22 2p3f s PRO 45 Cb 0.03 -2.31 -0.17 0.00 0.04 0.00 0.00 34.50 32.10 2p3f s PRO 45 CO 0.14 -0.01 1.12 -0.35 0.04 0.00 0.00 177.00 177.94 2p3f n PRO 46 N -0.42 0.86 -3.83 0.56 -0.04 -1.25 -3.22 135.00 127.67 2p3f n PRO 46 Ca 0.06 0.31 -0.12 0.00 -0.04 0.00 0.00 63.50 63.70 2p3f n PRO 46 Cb 0.53 -1.79 -0.13 0.00 -0.04 0.00 0.00 33.50 32.08 2p3f n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2p3f s ALA 47 N -0.12 -0.33 -0.09 0.55 0.00 -0.80 -4.36 121.76 116.61 2p3f s ALA 47 Ca 0.77 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 2p3f s ALA 47 Cb -0.95 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 2p3f s ALA 47 CO 0.52 -0.06 1.03 0.00 0.00 0.00 0.00 175.76 177.25 2p3f s VAL 49 N 1.98 0.93 0.38 0.00 -7.23 -0.09 -4.90 120.40 111.47 2p3f s VAL 49 Ca 0.49 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.38 2p3f s VAL 49 Cb -0.19 -1.84 -0.11 0.00 0.56 0.00 0.00 36.38 34.80 2p3f s VAL 49 CO 0.19 -0.75 1.46 0.00 -0.31 0.00 0.00 175.10 175.69 2p3f s LYS 51 N -2.09 2.50 0.13 0.00 1.02 -0.71 -4.72 119.74 115.88 2p3f s LYS 51 Ca 0.53 1.46 -0.32 0.00 0.02 0.00 0.00 55.97 57.66 2p3f s LYS 51 Cb -0.45 -1.91 -0.11 0.00 -0.52 0.00 0.00 37.83 34.84 2p3f s LYS 51 CO 0.61 -1.50 1.81 -0.25 -0.92 0.00 0.00 175.35 175.10 2p3f n ASP 52 N -2.70 3.98 -0.61 2.83 9.92 -1.26 -2.69 116.55 126.02 2p3f n ASP 52 Ca 0.11 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.37 2p3f n ASP 52 Cb 0.52 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.46 2p3f n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2p3f n GLY 53 N 4.16 0.52 3.15 0.44 0.00 -1.26 -5.08 105.19 107.11 2p3f n GLY 53 Ca 0.18 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.91 2p3f n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p3f s PHE 54 N -2.34 -1.68 0.65 1.61 0.40 -1.10 -4.76 117.98 110.77 2p3f s PHE 54 Ca 0.00 1.36 -0.12 0.00 -0.60 0.00 0.00 56.93 57.58 2p3f s PHE 54 Cb 0.00 0.43 -0.02 0.00 0.51 0.00 0.00 43.02 43.94 2p3f s PHE 54 CO 0.00 -0.95 1.04 0.71 0.70 0.00 0.00 175.22 176.72 2p3f s TYR 55 N 2.85 3.31 -0.39 0.36 1.51 -0.59 -4.61 117.35 119.79 2p3f s TYR 55 Ca 0.15 1.38 -0.16 0.00 -1.01 0.00 0.00 57.07 57.44 2p3f s TYR 55 Cb -0.12 -2.83 0.01 0.00 -0.11 0.00 0.00 41.96 38.91 2p3f s TYR 55 CO -0.23 -0.98 0.39 0.50 -1.11 0.00 0.00 175.55 174.12 2p3f s ARG 56 N -4.97 3.28 0.04 -0.62 3.52 -0.28 -0.46 118.95 119.45 2p3f s ARG 56 Ca 0.57 -0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 55.23 2p3f s ARG 56 Cb -0.13 -3.90 -0.09 0.00 -1.56 0.00 0.00 34.95 29.27 2p3f s ARG 56 CO 0.52 -0.71 1.97 -3.47 -0.81 0.00 0.00 175.30 172.80 2p3f n ASP 57 N 5.47 4.15 -0.19 -2.12 -0.08 0.33 -1.94 116.55 122.17 2p3f n ASP 57 Ca -0.08 0.91 -0.01 0.00 -1.51 0.00 0.00 54.79 54.10 2p3f n ASP 57 Cb 0.48 -1.52 0.07 0.00 2.34 0.00 0.00 41.12 42.49 2p3f n ASP 57 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2p3f h THR 58 N 5.58 0.47 0.23 5.18 2.02 -1.95 -3.17 112.91 121.28 2p3f h THR 58 Ca -0.50 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2p3f h THR 58 Cb 1.24 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2p3f h THR 58 CO 0.94 0.01 -0.11 0.58 0.37 0.00 0.00 175.52 177.31 2p3f h VAL 59 N 0.05 0.16 -3.48 3.16 2.07 -1.89 -3.41 116.25 112.91 2p3f h VAL 59 Ca 0.29 -0.85 -0.59 0.00 0.82 0.00 0.00 66.70 66.36 2p3f h VAL 59 Cb 0.45 0.28 -0.09 0.00 -1.52 0.00 0.00 31.29 30.41 2p3f h VAL 59 CO -0.54 0.05 0.57 -0.63 0.02 0.00 0.00 177.57 177.03 2p3f s ILE 60 N -2.73 4.61 -0.23 4.57 -1.09 -1.26 -4.92 121.20 120.17 2p3f s ILE 60 Ca -0.06 1.17 -0.15 0.00 -2.23 0.00 0.00 60.65 59.38 2p3f s ILE 60 Cb 0.00 -4.31 -0.16 0.00 -1.58 0.00 0.00 42.46 36.41 2p3f s ILE 60 CO 0.21 -0.51 1.48 0.61 -1.23 0.00 0.00 174.94 175.50 2p3f n GLY 61 N 4.37 1.58 3.23 6.18 0.00 -1.26 -4.28 105.19 115.01 2p3f n GLY 61 Ca 0.07 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 2p3f n GLY 61 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2p3f s ASP 62 N 5.49 0.55 -0.41 1.61 -4.77 -1.20 -4.96 116.67 112.98 2p3f s ASP 62 Ca 0.37 -1.36 -0.09 0.00 -3.30 0.00 0.00 52.55 48.17 2p3f s ASP 62 Cb 0.09 0.29 0.07 0.00 -1.09 0.00 0.00 42.92 42.27 2p3f s ASP 62 CO 0.13 -0.78 0.24 0.00 0.70 0.00 0.00 175.17 175.46 2p3f n VAL 64 N 4.92 0.00 -1.06 0.00 0.24 0.39 -4.76 118.33 118.06 2p3f n VAL 64 Ca -0.10 -1.97 -0.23 0.00 -2.04 0.00 0.00 64.34 59.99 2p3f n VAL 64 Cb 0.43 0.04 0.19 0.00 -1.47 0.00 0.00 33.84 33.03 2p3f n VAL 64 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2p3f n ARG 65 N -1.52 -2.36 0.03 7.34 5.12 -1.26 -1.54 116.66 122.46 2p3f n ARG 65 Ca -0.06 -1.38 -0.12 0.00 -1.93 0.00 0.00 57.85 54.36 2p3f n ARG 65 Cb 0.56 -1.22 -0.09 0.00 -1.16 0.00 0.00 32.46 30.55 2p3f n ARG 65 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2p3f h GLU 66 N 0.00 -0.13 0.00 5.56 4.81 -1.93 -3.21 114.58 119.68 2p3f h GLU 66 Ca -0.32 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2p3f h GLU 66 Cb 0.95 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2p3f h GLU 66 CO 0.21 0.37 0.00 -0.85 -0.73 0.00 0.00 179.01 178.01 2p3f n GLU 67 N -4.88 0.00 -1.22 1.92 0.00 -1.26 -2.57 120.64 112.63 2p3f n GLU 67 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.01 2p3f n GLU 67 Cb 0.28 -1.26 0.13 0.00 0.00 0.00 0.00 31.44 30.59 2p3f n GLU 67 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2p3f n GLU 68 N -0.69 2.47 -2.79 3.44 1.02 -1.21 -4.93 120.64 117.95 2p3f n GLU 68 Ca 0.00 -3.68 -0.43 0.00 -0.02 0.00 0.00 57.16 53.03 2p3f n GLU 68 Cb 0.00 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 2p3f n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2p3f n ASP 70 N 4.21 -2.50 -3.92 0.00 5.68 -1.26 -4.92 116.55 113.84 2p3f n ASP 70 Ca 0.35 -2.78 -0.18 0.00 -0.50 0.00 0.00 54.79 51.69 2p3f n ASP 70 Cb 0.39 1.50 -0.15 0.00 -1.14 0.00 0.00 41.12 41.71 2p3f n ASP 70 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2p3f s GLN 71 N 0.58 0.59 -0.19 0.11 -0.21 -1.26 -5.13 119.66 114.14 2p3f s GLN 71 Ca 0.30 -0.14 -0.12 0.00 0.02 0.00 0.00 55.36 55.42 2p3f s GLN 71 Cb 0.20 -0.60 -0.05 0.00 1.00 0.00 0.00 33.01 33.56 2p3f s GLN 71 CO -0.18 0.02 0.23 -1.58 -2.12 0.00 0.00 175.29 171.66 2p3f s HIS 72 N 0.39 3.40 0.14 0.91 5.65 -1.26 -4.85 115.29 119.68 2p3f s HIS 72 Ca -0.05 0.44 0.04 0.00 0.25 0.00 0.00 55.06 55.75 2p3f s HIS 72 Cb -0.08 -2.30 -0.04 0.00 -1.18 0.00 0.00 32.58 28.98 2p3f s HIS 72 CO -0.00 0.18 0.13 -2.00 -0.65 0.00 0.00 174.74 172.40 2p3f s GLU 73 N 0.68 2.92 -0.17 2.88 2.56 -1.26 -5.10 118.70 121.21 2p3f s GLU 73 Ca 0.12 -0.82 -0.29 0.00 0.00 0.00 0.00 54.97 53.99 2p3f s GLU 73 Cb -0.13 -2.68 0.11 0.00 2.00 0.00 0.00 34.13 33.43 2p3f s GLU 73 CO 0.03 0.51 0.90 0.42 -0.56 0.00 0.00 175.26 176.56 2p3f s ILE 74 N -1.67 0.00 0.39 -3.70 -1.09 -1.26 -5.20 121.20 108.67 2p3f s ILE 74 Ca 0.31 0.00 0.08 0.00 -2.23 0.00 0.00 60.65 58.80 2p3f s ILE 74 Cb -0.11 -1.00 -0.05 0.00 -1.58 0.00 0.00 42.46 39.73 2p3f s ILE 74 CO 0.23 0.00 0.17 -0.63 -1.23 0.00 0.00 174.94 173.48 2p3f s ILE 75 N -0.69 2.56 0.00 2.92 1.01 -1.26 -5.33 121.20 120.41 2p3f s ILE 75 Ca -0.03 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 58.93 2p3f s ILE 75 Cb -0.02 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.48 2p3f s ILE 75 CO 0.02 -0.07 0.10 1.41 0.00 0.00 0.00 174.94 176.39