#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4r s GLY 3 N -0.29 2.99 -0.52 0.00 0.00 -1.26 -4.94 107.32 103.30 2k4r s GLY 3 Ca -0.12 0.47 -0.21 0.00 0.00 0.00 0.00 44.72 44.87 2k4r s GLY 3 CO 0.32 0.99 0.72 0.00 0.00 0.00 0.00 173.10 175.13 2k4r s ALA 4 N -1.20 3.32 -0.80 3.20 0.00 -1.26 -4.10 121.76 120.92 2k4r s ALA 4 Ca 0.39 -1.61 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 2k4r s ALA 4 Cb -0.24 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 2k4r s ALA 4 CO 0.28 -2.13 0.67 0.41 0.00 0.00 0.00 175.76 175.00 2k4r n GLY 5 N 5.16 -0.16 2.62 0.00 0.00 -1.26 -5.02 105.19 106.53 2k4r n GLY 5 Ca -0.04 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 2k4r n GLY 5 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k4r s GLU 6 N -4.79 0.29 0.01 1.61 2.12 -1.26 -5.11 118.70 111.56 2k4r s GLU 6 Ca 0.04 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.60 2k4r s GLU 6 Cb -0.01 -0.97 -0.08 0.00 0.26 0.00 0.00 34.13 33.34 2k4r s GLU 6 CO 0.50 -1.05 1.78 -1.25 -0.54 0.00 0.00 175.26 174.70 2k4r s PRO 7 N 2.08 4.17 0.31 4.30 0.04 -1.23 -4.54 135.00 140.12 2k4r s PRO 7 Ca 0.10 2.40 0.18 0.00 0.04 0.00 0.00 61.00 63.72 2k4r s PRO 7 Cb -0.16 -3.97 0.13 0.00 0.04 0.00 0.00 34.50 30.55 2k4r s PRO 7 CO -0.31 -0.87 1.44 2.35 0.04 0.00 0.00 177.00 179.65 2k4r h TRP 8 N 9.68 0.00 0.00 0.56 7.01 -1.75 -3.49 115.95 127.96 2k4r h TRP 8 Ca -0.44 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.56 2k4r h TRP 8 Cb 1.21 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 2k4r h TRP 8 CO 0.89 0.34 0.00 0.41 -2.79 0.00 0.00 178.44 177.29 2k4r n GLY 9 N 1.20 1.93 2.07 2.65 0.00 -1.26 -4.74 105.19 107.03 2k4r n GLY 9 Ca 0.02 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 2k4r n GLY 9 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k4r n ASN 10 N 0.00 5.62 -3.66 1.61 5.03 -1.26 -2.03 115.26 120.57 2k4r n ASN 10 Ca 0.00 -3.76 -0.15 0.00 0.87 0.00 0.00 54.58 51.54 2k4r n ASN 10 Cb 0.00 -0.54 -0.07 0.00 -1.02 0.00 0.00 39.78 38.15 2k4r n ASN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k4r s ALA 11 N -3.65 -1.18 -0.86 5.41 0.00 -1.26 -0.45 121.76 119.77 2k4r s ALA 11 Ca 0.55 0.68 -0.14 0.00 0.00 0.00 0.00 51.96 53.04 2k4r s ALA 11 Cb 0.44 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 23.55 2k4r s ALA 11 CO 0.02 -0.33 2.02 0.25 0.00 0.00 0.00 175.76 177.72 2k4r n THR 12 N 1.01 2.15 0.00 0.00 -2.24 -0.26 -4.30 114.28 110.65 2k4r n THR 12 Ca -0.20 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.00 2k4r n THR 12 Cb 0.57 -2.25 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 2k4r n THR 12 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k4r n ASN 13 N 5.97 0.00 0.00 3.42 2.85 -1.24 -1.52 115.26 124.74 2k4r n ASN 13 Ca 0.47 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.94 2k4r n ASN 13 Cb 0.28 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.30 2k4r n ASN 13 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2k4r n LEU 14 N 0.00 0.23 0.00 1.20 7.94 -1.26 -4.74 117.00 120.37 2k4r n LEU 14 Ca 0.00 -0.23 0.00 0.00 -1.11 0.00 0.00 56.01 54.67 2k4r n LEU 14 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k4r n LEU 14 CO 0.00 0.06 0.00 0.61 -1.11 0.00 0.00 177.39 176.95 2k4r n GLY 15 N -0.05 0.08 3.30 -3.96 0.00 -0.58 -5.08 105.19 98.90 2k4r n GLY 15 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2k4r n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4r s VAL 16 N 0.44 2.07 0.40 1.61 1.01 -1.26 -4.76 120.40 119.90 2k4r s VAL 16 Ca 0.00 -1.09 -0.27 0.00 0.00 0.00 0.00 61.98 60.62 2k4r s VAL 16 Cb 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 36.38 34.56 2k4r s VAL 16 CO 0.00 0.58 1.39 -0.81 0.00 0.00 0.00 175.10 176.25 2k4r n PRO 17 N 2.57 2.30 -2.68 2.72 -0.04 -1.25 -1.10 135.00 137.53 2k4r n PRO 17 Ca -0.16 0.81 -0.42 0.00 -0.04 0.00 0.00 63.50 63.69 2k4r n PRO 17 Cb 0.51 -2.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.41 2k4r n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4r s LEU 19 N 0.54 2.98 0.25 0.00 2.96 0.12 -4.84 118.68 120.68 2k4r s LEU 19 Ca 0.50 0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 54.56 2k4r s LEU 19 Cb -0.23 -3.17 -0.09 0.00 0.50 0.00 0.00 46.19 43.20 2k4r s LEU 19 CO 0.29 -1.41 1.04 -1.00 -1.32 0.00 0.00 176.35 173.96 2k4r s HIS 20 N -3.11 3.72 0.46 5.38 3.76 -1.26 -4.56 115.29 119.67 2k4r s HIS 20 Ca 0.58 1.76 0.25 0.00 -0.15 0.00 0.00 55.06 57.51 2k4r s HIS 20 Cb -0.11 -3.18 1.45 0.00 1.11 0.00 0.00 32.58 31.85 2k4r s HIS 20 CO 0.44 -0.20 2.10 -1.49 -0.85 0.00 0.00 174.74 174.74 2k4r h TRP 21 N 4.15 0.00 -0.00 1.40 4.06 -1.50 0.05 115.95 124.10 2k4r h TRP 21 Ca -0.46 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.49 2k4r h TRP 21 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 2k4r h TRP 21 CO 0.60 0.10 -0.23 -3.47 -3.56 0.00 0.00 178.44 171.89 2k4r n ASP 22 N -3.82 0.26 -1.63 -3.49 2.03 -1.01 -3.62 116.55 105.28 2k4r n ASP 22 Ca -0.02 0.07 0.09 0.00 0.52 0.00 0.00 54.79 55.45 2k4r n ASP 22 Cb 0.20 -0.13 0.37 0.00 -0.72 0.00 0.00 41.12 40.84 2k4r n ASP 22 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k4r n GLU 23 N -1.45 3.92 -2.61 -0.67 1.02 0.00 -4.90 120.64 115.95 2k4r n GLU 23 Ca 0.07 -2.94 -0.43 0.00 -0.02 0.00 0.00 57.16 53.84 2k4r n GLU 23 Cb 0.33 -1.95 -0.02 0.00 -0.02 0.00 0.00 31.44 29.78 2k4r n GLU 23 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2k4r s VAL 24 N -2.01 4.50 0.57 2.62 1.01 -1.24 -4.94 120.40 120.92 2k4r s VAL 24 Ca 0.52 1.75 -0.19 0.00 0.00 0.00 0.00 61.98 64.06 2k4r s VAL 24 Cb 0.34 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2k4r s VAL 24 CO 0.23 -0.38 1.15 -2.16 0.00 0.00 0.00 175.10 173.94 2k4r s PRO 25 N 3.58 3.17 0.63 2.72 0.04 -1.26 -4.92 135.00 138.96 2k4r s PRO 25 Ca 0.47 1.64 0.39 0.00 0.04 0.00 0.00 61.00 63.54 2k4r s PRO 25 Cb -0.14 -1.98 2.14 0.00 0.04 0.00 0.00 34.50 34.56 2k4r s PRO 25 CO 0.14 -1.01 2.30 -1.00 0.04 0.00 0.00 177.00 177.47 2k4r h PRO 26 N 0.95 0.00 -4.01 0.56 0.13 -2.01 -3.30 132.00 124.32 2k4r h PRO 26 Ca -0.50 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.91 2k4r h PRO 26 Cb 1.27 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.08 2k4r h PRO 26 CO 0.56 0.01 -0.33 -0.06 -0.23 0.00 0.00 178.00 177.95 2k4r s PHE 27 N -4.28 3.49 -0.18 1.56 0.08 -1.26 -5.06 117.98 112.33 2k4r s PHE 27 Ca -0.05 -2.26 -0.08 0.00 0.12 0.00 0.00 56.93 54.66 2k4r s PHE 27 Cb 0.13 -3.41 -0.04 0.00 -0.57 0.00 0.00 43.02 39.13 2k4r s PHE 27 CO 0.47 -0.94 0.09 -1.17 -0.10 0.00 0.00 175.22 173.57 2k4r s LEU 28 N 0.66 3.96 0.24 -0.37 2.96 -1.25 -4.99 118.68 119.89 2k4r s LEU 28 Ca 0.12 0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.12 2k4r s LEU 28 Cb -0.21 -2.01 0.24 0.00 0.50 0.00 0.00 46.19 44.72 2k4r s LEU 28 CO -0.03 0.19 1.80 -0.33 -1.32 0.00 0.00 176.35 176.66 2k4r h GLU 29 N 6.60 1.09 -6.00 1.98 5.08 -1.94 -3.41 114.58 117.98 2k4r h GLU 29 Ca -0.39 -0.20 -0.64 0.00 -1.00 0.00 0.00 59.36 57.13 2k4r h GLU 29 Cb 1.16 -0.18 -0.08 0.00 0.50 0.00 0.00 28.75 30.16 2k4r h GLU 29 CO 0.72 0.89 -0.56 1.03 -1.00 0.00 0.00 179.01 180.09 2k4r s ARG 30 N -5.47 3.14 -0.23 2.33 1.81 -1.26 -5.09 118.95 114.18 2k4r s ARG 30 Ca -0.12 -0.50 -0.16 0.00 -1.72 0.00 0.00 55.73 53.23 2k4r s ARG 30 Cb 0.16 -2.89 -0.03 0.00 -0.45 0.00 0.00 34.95 31.73 2k4r s ARG 30 CO 0.83 0.63 0.44 0.45 -0.68 0.00 0.00 175.30 176.96 2k4r s SER 31 N -2.03 6.41 0.39 0.23 0.15 -1.26 -4.88 113.70 112.71 2k4r s SER 31 Ca 0.27 0.49 -0.27 0.00 0.70 0.00 0.00 55.95 57.14 2k4r s SER 31 Cb -0.12 -2.25 -0.09 0.00 -1.71 0.00 0.00 66.02 61.85 2k4r s SER 31 CO 0.19 -0.17 1.38 -2.16 1.20 0.00 0.00 173.24 173.68 2k4r s PRO 32 N 1.76 4.01 0.52 5.44 0.04 -1.26 -4.92 135.00 140.59 2k4r s PRO 32 Ca 0.19 2.34 0.31 0.00 0.04 0.00 0.00 61.00 63.88 2k4r s PRO 32 Cb -0.15 -2.85 1.32 0.00 0.04 0.00 0.00 34.50 32.86 2k4r s PRO 32 CO 0.09 -0.53 1.97 -1.00 0.04 0.00 0.00 177.00 177.58 2k4r h PRO 33 N 2.81 0.00 -4.34 0.56 0.13 -2.02 -3.45 132.00 125.69 2k4r h PRO 33 Ca -0.50 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.41 2k4r h PRO 33 Cb 1.25 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 2k4r h PRO 33 CO 0.63 0.08 -0.45 0.00 -0.23 0.00 0.00 178.00 178.04 2k4r s ALA 34 N -3.76 0.84 -0.10 -0.56 0.00 -1.26 -5.12 121.76 111.79 2k4r s ALA 34 Ca 0.00 -1.51 -0.30 0.00 0.00 0.00 0.00 51.96 50.15 2k4r s ALA 34 Cb 0.10 1.30 -0.02 0.00 0.00 0.00 0.00 23.12 24.50 2k4r s ALA 34 CO 0.57 -0.68 1.10 0.45 0.00 0.00 0.00 175.76 177.20 2k4r s SER 35 N -3.15 7.13 0.00 0.00 0.15 -1.26 -4.91 113.70 111.67 2k4r s SER 35 Ca 0.34 1.64 0.16 0.00 0.70 0.00 0.00 55.95 58.79 2k4r s SER 35 Cb 0.04 -2.55 0.42 0.00 -1.71 0.00 0.00 66.02 62.21 2k4r s SER 35 CO 0.13 -0.54 1.34 -2.67 1.20 0.00 0.00 173.24 172.70 2k4r n TRP 36 N 5.32 0.61 -0.06 3.44 4.27 -1.26 -4.52 117.44 125.24 2k4r n TRP 36 Ca 0.10 -0.44 0.09 0.00 -3.89 0.00 0.00 57.50 53.36 2k4r n TRP 36 Cb 0.47 -0.01 0.47 0.00 -1.36 0.00 0.00 31.31 30.87 2k4r n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2k4r h ALA 37 N 3.07 1.89 -0.57 -1.67 0.00 -2.02 0.10 119.26 120.05 2k4r h ALA 37 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k4r h ALA 37 Cb 0.83 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k4r h ALA 37 CO 0.00 0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.66 2k4r n GLU 38 N -4.47 2.68 0.20 0.00 1.02 -1.26 -3.77 120.64 115.04 2k4r n GLU 38 Ca 0.08 -2.19 0.05 0.00 -0.02 0.00 0.00 57.16 55.08 2k4r n GLU 38 Cb 0.26 -1.58 0.41 0.00 -0.02 0.00 0.00 31.44 30.51 2k4r n GLU 38 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2k4r h LEU 39 N 3.39 0.00 1.10 -4.62 3.38 -1.27 -3.47 115.31 113.83 2k4r h LEU 39 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 2k4r h LEU 39 Cb 0.95 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.73 2k4r h LEU 39 CO 0.07 0.34 -0.59 0.54 0.09 0.00 0.00 178.44 178.90 2k4r n ARG 40 N -3.80 -4.39 -0.77 1.13 1.74 -1.25 -4.85 116.66 104.47 2k4r n ARG 40 Ca -0.01 0.84 0.02 0.00 -0.77 0.00 0.00 57.85 57.92 2k4r n ARG 40 Cb 0.42 -5.66 0.29 0.00 -1.02 0.00 0.00 32.46 26.50 2k4r n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k4r n GLY 41 N -1.42 3.85 0.35 -0.13 0.00 -1.26 -4.79 105.19 101.80 2k4r n GLY 41 Ca -0.11 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 2k4r n GLY 41 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k4r h GLN 42 N 2.36 -0.28 -0.02 1.61 1.08 -1.89 -1.30 115.11 116.68 2k4r h GLN 42 Ca 0.12 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.35 2k4r h GLN 42 Cb 1.88 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 29.38 2k4r h GLN 42 CO 0.47 -0.19 0.12 -1.00 -0.95 0.00 0.00 178.83 177.29 2k4r h PRO 43 N -0.29 0.00 0.00 1.46 0.13 -1.96 -2.68 132.00 128.67 2k4r h PRO 43 Ca 0.16 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.16 2k4r h PRO 43 Cb 0.55 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.65 2k4r h PRO 43 CO -0.53 0.00 -0.12 -2.39 -0.23 0.00 0.00 178.00 174.73 2k4r n HIS 44 N -3.14 -0.12 -4.60 1.56 1.44 -0.49 -4.98 115.22 104.88 2k4r n HIS 44 Ca -0.02 -0.70 -0.25 0.00 -2.01 0.00 0.00 57.72 54.74 2k4r n HIS 44 Cb 0.19 0.05 -0.17 0.00 0.12 0.00 0.00 29.99 30.18 2k4r n HIS 44 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2k4r s ASN 45 N -1.61 1.79 0.00 4.39 4.22 -1.26 -1.96 114.94 120.51 2k4r s ASN 45 Ca 0.09 -0.30 0.00 0.00 -2.14 0.00 0.00 52.86 50.50 2k4r s ASN 45 Cb 0.00 -0.80 0.00 0.00 1.28 0.00 0.00 41.25 41.73 2k4r s ASN 45 CO 0.06 0.04 0.00 0.33 -2.04 0.00 0.00 177.10 175.49 2k4r n PHE 46 N 3.75 0.00 -1.52 1.54 7.35 -1.26 -4.83 117.46 122.49 2k4r n PHE 46 Ca -0.22 0.00 -0.56 0.00 -0.76 0.00 0.00 57.45 55.91 2k4r n PHE 46 Cb 0.52 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.28 2k4r n PHE 46 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k4r s ARG 48 N 0.05 1.30 -0.17 0.00 1.81 -0.43 -4.84 118.95 116.67 2k4r s ARG 48 Ca 0.87 -0.56 -0.01 0.00 -1.72 0.00 0.00 55.73 54.31 2k4r s ARG 48 Cb -1.14 -1.24 -0.00 0.00 -0.45 0.00 0.00 34.95 32.11 2k4r s ARG 48 CO 0.54 0.32 -0.13 -1.54 -0.68 0.00 0.00 175.30 173.81 2k4r s SER 49 N -0.32 3.76 0.45 0.23 1.04 -1.26 -1.31 113.70 116.28 2k4r s SER 49 Ca 0.05 -0.47 0.24 0.00 0.48 0.00 0.00 55.95 56.26 2k4r s SER 49 Cb -0.07 -1.60 0.94 0.00 0.10 0.00 0.00 66.02 65.40 2k4r s SER 49 CO -0.00 0.05 1.83 -0.65 0.98 0.00 0.00 173.24 175.45 2k4r h PRO 50 N 7.55 0.00 -2.32 4.02 0.11 -1.89 -3.45 132.00 136.01 2k4r h PRO 50 Ca -0.36 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 2k4r h PRO 50 Cb 1.18 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.11 2k4r h PRO 50 CO 0.59 0.21 0.12 0.34 -0.21 0.00 0.00 178.00 179.05 2k4r s ASP 51 N -6.17 -0.57 0.14 -2.05 -1.08 -1.26 -4.96 116.67 100.72 2k4r s ASP 51 Ca 0.01 0.50 -0.19 0.00 -0.52 0.00 0.00 52.55 52.35 2k4r s ASP 51 Cb 0.10 0.52 0.02 0.00 -1.46 0.00 0.00 42.92 42.10 2k4r s ASP 51 CO 0.63 -0.65 1.69 1.23 0.52 0.00 0.00 175.17 178.60 2k4r h GLY 52 N 2.95 0.21 1.45 2.66 0.00 -1.95 -1.24 103.07 107.16 2k4r h GLY 52 Ca -0.29 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2k4r h GLY 52 CO 0.39 -0.10 -0.36 0.00 0.00 0.00 0.00 176.54 176.48 2k4r n ALA 53 N -2.50 2.82 0.27 3.60 0.00 -1.26 -2.89 120.51 120.55 2k4r n ALA 53 Ca -0.01 -0.20 0.15 0.00 0.00 0.00 0.00 53.44 53.39 2k4r n ALA 53 Cb 0.16 -1.28 0.73 0.00 0.00 0.00 0.00 19.45 19.07 2k4r n ALA 53 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k4r h GLY 54 N 4.70 0.00 -0.47 0.00 0.00 -1.65 -3.49 103.07 102.15 2k4r h GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k4r h GLY 54 CO 0.00 0.00 -0.11 -2.13 0.00 0.00 0.00 176.54 174.30 2k4r n ARG 55 N -3.32 -0.60 -2.60 4.80 0.63 -0.57 -4.79 116.66 110.22 2k4r n ARG 55 Ca -0.01 0.43 -0.41 0.00 -0.92 0.00 0.00 57.85 56.95 2k4r n ARG 55 Cb 0.27 -0.48 -0.05 0.00 0.45 0.00 0.00 32.46 32.66 2k4r n ARG 55 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2k4r s PRO 56 N -4.19 4.68 0.19 -0.14 0.04 -1.26 -4.47 135.00 129.86 2k4r s PRO 56 Ca 0.00 1.64 -0.07 0.00 0.04 0.00 0.00 61.00 62.60 2k4r s PRO 56 Cb 0.00 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 2k4r s PRO 56 CO 0.00 0.23 0.28 1.67 0.04 0.00 0.00 177.00 179.22 2k4r s TRP 57 N -0.61 0.61 0.29 0.56 1.48 -0.43 -1.90 118.94 118.95 2k4r s TRP 57 Ca 0.46 -0.94 0.02 0.00 -1.06 0.00 0.00 56.10 54.57 2k4r s TRP 57 Cb -0.28 -0.15 -0.02 0.00 -1.16 0.00 0.00 33.47 31.86 2k4r s TRP 57 CO 0.35 -0.75 0.30 0.00 -4.06 0.00 0.00 176.95 172.78 2k4r s PHE 59 N -3.57 3.28 -0.12 0.00 0.08 -1.26 -0.77 117.98 115.61 2k4r s PHE 59 Ca 0.37 0.43 -0.11 0.00 0.12 0.00 0.00 56.93 57.74 2k4r s PHE 59 Cb 0.03 -2.54 -0.05 0.00 -0.57 0.00 0.00 43.02 39.89 2k4r s PHE 59 CO 0.21 -0.16 0.22 1.52 -0.10 0.00 0.00 175.22 176.91 2k4r s TYR 60 N 1.84 3.56 -0.14 0.36 1.13 0.21 0.11 117.35 124.41 2k4r s TYR 60 Ca 0.15 0.60 -0.02 0.00 -1.41 0.00 0.00 57.07 56.39 2k4r s TYR 60 Cb -0.15 -2.14 -0.02 0.00 -1.10 0.00 0.00 41.96 38.55 2k4r s TYR 60 CO 0.09 0.53 -0.08 0.50 -2.51 0.00 0.00 175.55 174.08 2k4r s ARG 61 N -0.46 3.52 0.47 -3.49 3.52 -0.85 -1.42 118.95 120.24 2k4r s ARG 61 Ca 0.16 -0.61 0.06 0.00 -0.13 0.00 0.00 55.73 55.21 2k4r s ARG 61 Cb -0.13 -2.78 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 2k4r s ARG 61 CO 0.05 0.21 0.29 0.54 -0.81 0.00 0.00 175.30 175.57 2k4r s ASN 62 N 0.40 4.60 0.00 -2.12 2.20 -0.22 -4.55 114.94 115.25 2k4r s ASN 62 Ca -0.07 -1.12 0.05 0.00 -0.94 0.00 0.00 52.86 50.78 2k4r s ASN 62 Cb -0.15 -0.10 0.31 0.00 -2.00 0.00 0.00 41.25 39.31 2k4r s ASN 62 CO 0.04 -0.79 1.20 0.00 -2.94 0.00 0.00 177.10 174.61 2k4r n ALA 63 N -1.49 2.53 0.95 3.54 0.00 -1.26 -1.98 120.51 122.80 2k4r n ALA 63 Ca -0.02 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.49 2k4r n ALA 63 Cb 0.64 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 2k4r n ALA 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k4r n GLN 64 N -0.57 1.04 -0.10 0.00 6.02 -1.26 -4.95 117.38 117.55 2k4r n GLN 64 Ca 0.04 -0.72 0.00 0.00 -0.01 0.00 0.00 57.00 56.31 2k4r n GLN 64 Cb 0.02 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.83 2k4r n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k4r n GLY 65 N 1.40 0.76 3.91 1.08 0.00 -0.84 -5.07 105.19 106.43 2k4r n GLY 65 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2k4r n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4r s LYS 66 N -0.90 3.60 -0.28 1.61 1.02 -1.25 -4.93 119.74 118.60 2k4r s LYS 66 Ca 0.00 -0.14 -0.04 0.00 0.02 0.00 0.00 55.97 55.81 2k4r s LYS 66 Cb 0.00 -2.79 0.10 0.00 -0.52 0.00 0.00 37.83 34.62 2k4r s LYS 66 CO 0.00 0.38 0.12 0.08 -0.92 0.00 0.00 175.35 175.01 2k4r s VAL 67 N -1.84 0.01 0.50 3.17 1.01 -1.26 -1.05 120.40 120.94 2k4r s VAL 67 Ca 0.41 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2k4r s VAL 67 Cb -0.11 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 2k4r s VAL 67 CO 0.27 -0.70 0.03 -1.81 0.00 0.00 0.00 175.10 172.90 2k4r s ASP 68 N 2.06 3.88 0.05 3.32 1.01 -0.51 -4.21 116.67 122.27 2k4r s ASP 68 Ca 0.09 -1.70 0.02 0.00 0.71 0.00 0.00 52.55 51.66 2k4r s ASP 68 Cb -0.16 0.63 -0.04 0.00 1.01 0.00 0.00 42.92 44.36 2k4r s ASP 68 CO -0.34 -0.92 0.09 -1.66 0.21 0.00 0.00 175.17 172.54 2k4r s TRP 69 N -2.96 3.25 -0.06 4.23 1.48 -1.26 0.63 118.94 124.26 2k4r s TRP 69 Ca 0.06 0.14 -0.17 0.00 -1.06 0.00 0.00 56.10 55.06 2k4r s TRP 69 Cb 0.01 -1.67 0.04 0.00 -1.16 0.00 0.00 33.47 30.68 2k4r s TRP 69 CO 0.04 0.54 0.40 0.20 -4.06 0.00 0.00 176.95 174.06 2k4r s GLY 70 N -2.18 -0.26 0.55 3.67 0.00 0.05 -4.87 107.32 104.28 2k4r s GLY 70 Ca 0.28 0.70 -0.20 0.00 0.00 0.00 0.00 44.72 45.50 2k4r s GLY 70 CO 0.20 0.48 1.19 -0.19 0.00 0.00 0.00 173.10 174.77 2k4r s TYR 71 N -0.91 2.54 -0.18 1.90 2.02 -1.26 -1.88 117.35 119.58 2k4r s TYR 71 Ca -0.10 1.52 0.02 0.00 -0.37 0.00 0.00 57.07 58.14 2k4r s TYR 71 Cb -0.04 -3.43 0.23 0.00 -0.40 0.00 0.00 41.96 38.33 2k4r s TYR 71 CO 0.04 -1.95 1.30 0.00 -1.57 0.00 0.00 175.55 173.37 2k4r s ASP 73 N 0.19 -0.19 0.39 0.00 -4.77 -1.26 -3.52 116.67 107.50 2k4r s ASP 73 Ca 0.20 0.78 0.19 0.00 -3.30 0.00 0.00 52.55 50.42 2k4r s ASP 73 Cb 0.16 0.85 1.13 0.00 -1.09 0.00 0.00 42.92 43.98 2k4r s ASP 73 CO 0.04 -0.21 1.72 0.00 0.70 0.00 0.00 175.17 177.42 2k4r n GLY 75 N -1.43 -1.88 3.73 0.00 0.00 -1.26 -5.08 105.19 99.27 2k4r n GLY 75 Ca 0.29 0.87 -0.40 0.00 0.00 0.00 0.00 46.02 46.78 2k4r n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k4r s GLN 76 N 0.00 4.48 0.00 1.61 2.00 -1.26 -4.98 119.66 121.51 2k4r s GLN 76 Ca 0.00 1.03 0.00 0.00 -2.00 0.00 0.00 55.36 54.39 2k4r s GLN 76 Cb 0.00 -3.40 0.00 0.00 0.80 0.00 0.00 33.01 30.41 2k4r s GLN 76 CO 0.00 0.18 0.00 0.41 -0.50 0.00 0.00 175.29 175.38