#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4r n GLY 3 N -0.01 1.17 3.44 0.00 0.00 -1.26 -5.10 105.19 103.43 2k4r n GLY 3 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2k4r n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4r s ALA 4 N -4.00 -2.92 -0.85 4.61 0.00 -1.26 -5.03 121.76 112.30 2k4r s ALA 4 Ca 0.00 1.91 -0.04 0.00 0.00 0.00 0.00 51.96 53.82 2k4r s ALA 4 Cb 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 2k4r s ALA 4 CO 0.00 -0.61 0.75 0.41 0.00 0.00 0.00 175.76 176.31 2k4r n GLY 5 N 3.78 -0.88 3.13 0.00 0.00 -1.21 -5.00 105.19 105.01 2k4r n GLY 5 Ca -0.12 0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 2k4r n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4r s GLU 6 N -4.03 2.03 0.43 1.61 2.02 -0.13 -4.90 118.70 115.73 2k4r s GLU 6 Ca 0.34 -1.80 -0.20 0.00 0.02 0.00 0.00 54.97 53.33 2k4r s GLU 6 Cb -0.04 -3.59 -0.10 0.00 0.10 0.00 0.00 34.13 30.49 2k4r s GLU 6 CO 0.63 -1.07 0.93 -2.14 0.02 0.00 0.00 175.26 173.63 2k4r s PRO 7 N 1.15 4.17 -0.03 0.39 0.02 -0.84 -4.24 135.00 135.62 2k4r s PRO 7 Ca 0.08 1.04 -0.00 0.00 0.02 0.00 0.00 61.00 62.14 2k4r s PRO 7 Cb -0.23 -2.21 0.03 0.00 0.02 0.00 0.00 34.50 32.11 2k4r s PRO 7 CO -0.04 -0.03 0.01 -0.46 -0.33 0.00 0.00 177.00 176.15 2k4r s TRP 8 N -2.21 0.25 0.02 6.54 -0.00 -1.23 -4.89 118.94 117.43 2k4r s TRP 8 Ca 0.61 0.04 -0.04 0.00 -0.00 0.00 0.00 56.10 56.71 2k4r s TRP 8 Cb -0.09 -0.40 -0.01 0.00 -0.00 0.00 0.00 33.47 32.96 2k4r s TRP 8 CO 0.16 -0.14 0.45 0.41 -0.00 0.00 0.00 176.95 177.83 2k4r n GLY 9 N 4.33 -1.09 0.82 5.86 0.00 -1.26 -1.73 105.19 112.12 2k4r n GLY 9 Ca -0.23 0.31 0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.17 1.82 -3.66 1.61 5.03 -1.26 -2.04 115.26 113.59 2k4r n ASN 10 Ca 0.00 -3.65 -0.08 0.00 0.87 0.00 0.00 54.58 51.72 2k4r n ASN 10 Cb 0.04 -0.49 -0.09 0.00 -1.02 0.00 0.00 39.78 38.22 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 -2.87 -1.28 -0.93 5.41 0.00 -0.70 -0.54 121.76 120.84 2k4r s ALA 11 Ca 0.38 1.67 -0.25 0.00 0.00 0.00 0.00 51.96 53.76 2k4r s ALA 11 Cb 0.37 -1.28 -0.10 0.00 0.00 0.00 0.00 23.12 22.11 2k4r s ALA 11 CO -0.08 -0.63 2.11 0.95 0.00 0.00 0.00 175.76 178.12 2k4r s THR 12 N 2.28 3.28 0.00 0.00 -4.23 -0.35 -3.53 115.64 113.08 2k4r s THR 12 Ca -0.05 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 2k4r s THR 12 Cb -0.11 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2k4r s THR 12 CO -0.14 -0.56 0.00 -0.46 -0.54 0.00 0.00 174.62 172.92 2k4r n ASN 13 N 16.20 0.00 0.16 3.99 0.23 -1.26 -1.90 115.26 132.67 2k4r n ASN 13 Ca 0.43 0.00 0.16 0.00 -0.53 0.00 0.00 54.58 54.64 2k4r n ASN 13 Cb 0.46 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 38.90 2k4r n ASN 13 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2k4r h LEU 14 N 0.00 0.00 0.00 -4.53 5.85 -1.91 -3.45 115.31 111.27 2k4r h LEU 14 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k4r h LEU 14 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k4r h LEU 14 CO 0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 2k4r n GLY 15 N -1.51 0.39 3.10 3.75 0.00 -0.80 -5.13 105.19 105.00 2k4r n GLY 15 Ca 0.03 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.04 2.05 0.14 1.61 1.01 -1.25 -4.86 120.40 119.06 2k4r s VAL 16 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 61.98 60.61 2k4r s VAL 16 Cb 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 2k4r s VAL 16 CO 0.00 0.43 1.58 -2.16 0.00 0.00 0.00 175.10 174.95 2k4r s PRO 17 N 1.27 4.21 0.05 2.72 0.04 -1.25 -1.21 135.00 140.83 2k4r s PRO 17 Ca 0.02 2.35 -0.31 0.00 0.04 0.00 0.00 61.00 63.11 2k4r s PRO 17 Cb -0.14 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 2k4r s PRO 17 CO -0.11 -0.63 1.18 0.00 0.04 0.00 0.00 177.00 177.47 2k4r s LEU 19 N 1.10 2.99 0.21 0.00 2.96 0.20 -4.83 118.68 121.31 2k4r s LEU 19 Ca 0.58 0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 54.78 2k4r s LEU 19 Cb -0.29 -3.32 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 2k4r s LEU 19 CO 0.29 -1.37 1.05 -1.00 -1.32 0.00 0.00 176.35 174.00 2k4r s HIS 20 N -3.15 3.70 0.47 5.38 3.76 -1.26 -4.53 115.29 119.67 2k4r s HIS 20 Ca 0.58 1.72 0.21 0.00 -0.15 0.00 0.00 55.06 57.42 2k4r s HIS 20 Cb -0.11 -3.19 1.31 0.00 1.11 0.00 0.00 32.58 31.71 2k4r s HIS 20 CO 0.45 -0.26 2.08 -1.49 -0.85 0.00 0.00 174.74 174.67 2k4r h TRP 21 N 4.62 0.00 -0.00 1.40 4.06 -1.36 0.63 115.95 125.30 2k4r h TRP 21 Ca -0.45 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.50 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 0.61 0.11 -0.21 -3.47 -3.56 0.00 0.00 178.44 171.93 2k4r n ASP 22 N -4.05 0.27 -1.23 -3.49 2.03 -0.68 -3.47 116.55 105.93 2k4r n ASP 22 Ca -0.02 0.02 0.12 0.00 0.52 0.00 0.00 54.79 55.42 2k4r n ASP 22 Cb 0.20 -0.14 0.27 0.00 -0.72 0.00 0.00 41.12 40.72 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 -1.40 2.62 -2.53 -0.67 1.02 0.21 -4.89 120.64 114.99 2k4r n GLU 23 Ca 0.08 -2.47 -0.43 0.00 -0.02 0.00 0.00 57.16 54.32 2k4r n GLU 23 Cb 0.33 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.21 4.44 0.63 2.62 1.01 -1.20 -4.95 120.40 121.75 2k4r s VAL 24 Ca 0.43 1.73 -0.17 0.00 0.00 0.00 0.00 61.98 63.96 2k4r s VAL 24 Cb 0.24 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2k4r s VAL 24 CO 0.32 -0.21 1.20 -2.16 0.00 0.00 0.00 175.10 174.24 2k4r s PRO 25 N 3.46 2.76 0.47 2.72 0.04 -1.26 -4.93 135.00 138.26 2k4r s PRO 25 Ca 0.50 1.76 0.22 0.00 0.04 0.00 0.00 61.00 63.52 2k4r s PRO 25 Cb -0.18 -1.91 1.19 0.00 0.04 0.00 0.00 34.50 33.64 2k4r s PRO 25 CO 0.12 -1.35 1.99 -1.00 0.04 0.00 0.00 177.00 176.80 2k4r h PRO 26 N 0.52 0.00 -4.04 0.56 0.13 -2.00 -3.33 132.00 123.84 2k4r h PRO 26 Ca -0.49 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.88 2k4r h PRO 26 Cb 1.29 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.16 2k4r h PRO 26 CO 0.54 0.19 -0.18 -0.06 -0.23 0.00 0.00 178.00 178.25 2k4r s PHE 27 N -4.23 3.42 -0.03 1.56 0.08 -1.26 -5.05 117.98 112.47 2k4r s PHE 27 Ca -0.03 -1.65 -0.03 0.00 0.12 0.00 0.00 56.93 55.34 2k4r s PHE 27 Cb 0.14 -3.72 -0.04 0.00 -0.57 0.00 0.00 43.02 38.83 2k4r s PHE 27 CO 0.64 -1.00 0.16 -1.17 -0.10 0.00 0.00 175.22 173.74 2k4r s LEU 28 N 1.11 4.29 -0.00 -0.37 2.96 -1.25 -5.02 118.68 120.40 2k4r s LEU 28 Ca 0.08 0.33 -0.19 0.00 -0.22 0.00 0.00 54.13 54.13 2k4r s LEU 28 Cb -0.24 -2.47 -0.29 0.00 0.50 0.00 0.00 46.19 43.69 2k4r s LEU 28 CO -0.01 0.29 1.01 -0.33 -1.32 0.00 0.00 176.35 175.99 2k4r h GLU 29 N 4.06 0.44 -6.25 1.98 5.08 -1.95 -3.44 114.58 114.50 2k4r h GLU 29 Ca -0.50 -0.61 -0.57 0.00 -1.00 0.00 0.00 59.36 56.68 2k4r h GLU 29 Cb 1.19 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 2k4r h GLU 29 CO 0.66 1.26 -0.09 1.03 -1.00 0.00 0.00 179.01 180.87 2k4r s ARG 30 N -2.80 4.03 -0.33 2.33 1.81 -1.26 -5.05 118.95 117.67 2k4r s ARG 30 Ca -0.12 0.54 -0.21 0.00 -1.72 0.00 0.00 55.73 54.22 2k4r s ARG 30 Cb 0.03 -3.06 -0.00 0.00 -0.45 0.00 0.00 34.95 31.46 2k4r s ARG 30 CO 0.87 0.56 0.67 0.45 -0.68 0.00 0.00 175.30 177.16 2k4r s SER 31 N -1.45 6.50 0.33 0.23 0.15 -1.26 -4.88 113.70 113.31 2k4r s SER 31 Ca 0.33 0.35 -0.28 0.00 0.70 0.00 0.00 55.95 57.05 2k4r s SER 31 Cb -0.17 -2.34 -0.10 0.00 -1.71 0.00 0.00 66.02 61.71 2k4r s SER 31 CO 0.18 -0.56 1.19 -2.16 1.20 0.00 0.00 173.24 173.09 2k4r s PRO 32 N 2.74 4.38 0.56 5.44 0.04 -1.26 -4.94 135.00 141.97 2k4r s PRO 32 Ca 0.26 1.96 0.33 0.00 0.04 0.00 0.00 61.00 63.60 2k4r s PRO 32 Cb -0.14 -3.01 1.65 0.00 0.04 0.00 0.00 34.50 33.03 2k4r s PRO 32 CO 0.13 -0.07 2.11 -1.00 0.04 0.00 0.00 177.00 178.22 2k4r h PRO 33 N 3.34 0.00 -3.52 0.56 0.13 -2.03 -3.45 132.00 127.03 2k4r h PRO 33 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2k4r h PRO 33 Cb 1.22 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 2k4r h PRO 33 CO 0.65 0.06 -0.05 0.00 -0.23 0.00 0.00 178.00 178.43 2k4r s ALA 34 N -4.01 -0.45 -0.24 -0.56 0.00 -1.26 -5.11 121.76 110.13 2k4r s ALA 34 Ca -0.02 -0.74 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 2k4r s ALA 34 Cb 0.12 1.02 -0.01 0.00 0.00 0.00 0.00 23.12 24.24 2k4r s ALA 34 CO 0.53 -0.88 1.42 0.45 0.00 0.00 0.00 175.76 177.28 2k4r s SER 35 N -2.99 6.61 -0.02 0.00 0.15 -1.26 -4.88 113.70 111.31 2k4r s SER 35 Ca 0.20 1.47 0.21 0.00 0.70 0.00 0.00 55.95 58.53 2k4r s SER 35 Cb -0.02 -2.54 0.63 0.00 -1.71 0.00 0.00 66.02 62.39 2k4r s SER 35 CO 0.08 -1.08 1.53 -2.67 1.20 0.00 0.00 173.24 172.29 2k4r n TRP 36 N 7.72 1.02 -0.12 3.44 4.27 -1.26 -4.32 117.44 128.19 2k4r n TRP 36 Ca 0.16 -0.48 0.06 0.00 -3.89 0.00 0.00 57.50 53.35 2k4r n TRP 36 Cb 0.46 -0.04 0.39 0.00 -1.36 0.00 0.00 31.31 30.75 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 4.24 1.74 -0.14 -1.67 0.00 -2.01 -0.29 119.26 121.14 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 1.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k4r h ALA 37 CO 0.04 0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.85 2k4r n GLU 38 N -4.47 1.47 0.20 0.00 -0.58 -1.26 -2.93 120.64 113.07 2k4r n GLU 38 Ca 0.08 -0.71 0.07 0.00 -0.42 0.00 0.00 57.16 56.18 2k4r n GLU 38 Cb 0.19 -1.30 0.39 0.00 -0.57 0.00 0.00 31.44 30.15 2k4r n GLU 38 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2k4r h LEU 39 N 1.35 0.00 1.31 -4.62 3.38 -1.34 -3.47 115.31 111.93 2k4r h LEU 39 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 2k4r h LEU 39 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2k4r h LEU 39 CO 0.00 0.33 -0.52 0.54 0.09 0.00 0.00 178.44 178.88 2k4r n ARG 40 N -3.55 -3.48 -0.95 1.13 1.74 -1.15 -4.81 116.66 105.59 2k4r n ARG 40 Ca -0.00 0.67 0.03 0.00 -0.77 0.00 0.00 57.85 57.78 2k4r n ARG 40 Cb 0.47 -5.40 0.38 0.00 -1.02 0.00 0.00 32.46 26.88 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 -1.19 3.20 0.43 -0.13 0.00 -1.26 -4.79 105.19 101.45 2k4r n GLY 41 Ca -0.09 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 3.62 -0.33 0.00 1.61 1.08 -1.88 -0.95 115.11 118.27 2k4r h GLN 42 Ca 0.08 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2k4r h GLN 42 Cb 2.11 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 29.62 2k4r h GLN 42 CO 0.58 -0.22 -0.01 -1.00 -0.95 0.00 0.00 178.83 177.23 2k4r h PRO 43 N -0.34 0.00 0.00 1.46 0.13 -1.96 -1.80 132.00 129.49 2k4r h PRO 43 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2k4r h PRO 43 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2k4r h PRO 43 CO -0.60 0.01 0.00 -2.39 -0.23 0.00 0.00 178.00 174.79 2k4r n HIS 44 N -3.31 0.00 -4.23 1.56 1.44 -0.36 -4.94 115.22 105.38 2k4r n HIS 44 Ca -0.03 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.51 2k4r n HIS 44 Cb 0.10 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.06 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 -0.50 0.83 0.00 4.39 4.22 -1.26 -1.66 114.94 120.96 2k4r s ASN 45 Ca 0.00 -0.12 0.00 0.00 -2.14 0.00 0.00 52.86 50.60 2k4r s ASN 45 Cb 0.00 -0.18 0.00 0.00 1.28 0.00 0.00 41.25 42.35 2k4r s ASN 45 CO 0.00 0.05 0.00 0.33 -2.04 0.00 0.00 177.10 175.44 2k4r n PHE 46 N 3.21 0.00 -1.51 1.54 7.35 -1.26 -4.80 117.46 121.98 2k4r n PHE 46 Ca -0.16 0.00 -0.47 0.00 -0.76 0.00 0.00 57.45 56.06 2k4r n PHE 46 Cb 0.56 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.36 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 -1.18 0.40 -0.30 0.00 1.81 0.79 -4.80 118.95 115.67 2k4r s ARG 48 Ca 0.63 0.11 -0.10 0.00 -1.72 0.00 0.00 55.73 54.65 2k4r s ARG 48 Cb -0.82 0.18 0.13 0.00 -0.45 0.00 0.00 34.95 33.99 2k4r s ARG 48 CO 0.58 -0.08 0.67 -1.54 -0.68 0.00 0.00 175.30 174.24 2k4r s SER 49 N -0.43 -1.12 -0.06 0.23 1.04 -1.26 -0.66 113.70 111.44 2k4r s SER 49 Ca -0.05 1.54 -0.25 0.00 0.48 0.00 0.00 55.95 57.67 2k4r s SER 49 Cb -0.04 2.26 -0.23 0.00 0.10 0.00 0.00 66.02 68.11 2k4r s SER 49 CO 0.01 -0.22 1.03 1.55 0.98 0.00 0.00 173.24 176.60 2k4r h PRO 50 N 7.96 0.12 0.00 4.02 0.13 -1.96 -3.48 132.00 138.78 2k4r h PRO 50 Ca -0.18 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2k4r h PRO 50 Cb 1.10 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2k4r h PRO 50 CO 0.10 0.85 0.00 -0.40 -0.23 0.00 0.00 178.00 178.32 2k4r n ASP 51 N -4.59 0.00 0.00 1.44 5.75 -1.26 -5.02 116.55 112.87 2k4r n ASP 51 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 2k4r n ASP 51 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 2k4r n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k4r n GLY 52 N 0.00 2.35 0.57 6.12 0.00 -1.26 -4.56 105.19 108.40 2k4r n GLY 52 Ca 0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 46.02 45.24 2k4r n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4r n ALA 53 N 0.00 2.13 -2.81 4.61 0.00 -1.26 -4.99 120.51 118.19 2k4r n ALA 53 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 2k4r n ALA 53 Cb 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 19.45 19.27 2k4r n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k4r n GLY 54 N 0.02 -0.51 2.85 0.00 0.00 -1.26 -4.97 105.19 101.31 2k4r n GLY 54 Ca -0.02 0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2k4r n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k4r s ARG 55 N -5.47 1.20 0.58 1.61 3.52 -1.26 -5.13 118.95 114.00 2k4r s ARG 55 Ca 0.19 -0.51 -0.18 0.00 -0.13 0.00 0.00 55.73 55.10 2k4r s ARG 55 Cb -0.09 -2.03 -0.04 0.00 -1.56 0.00 0.00 34.95 31.23 2k4r s ARG 55 CO 0.23 -0.50 1.11 -2.14 -0.81 0.00 0.00 175.30 173.20 2k4r s PRO 56 N 1.68 3.22 0.06 5.12 0.02 -1.26 -4.75 135.00 139.11 2k4r s PRO 56 Ca -0.00 1.51 -0.05 0.00 0.02 0.00 0.00 61.00 62.47 2k4r s PRO 56 Cb -0.16 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 2k4r s PRO 56 CO -0.07 -0.93 0.09 1.67 -0.33 0.00 0.00 177.00 177.43 2k4r s TRP 57 N -1.99 0.29 0.23 6.54 1.48 0.17 -0.39 118.94 125.27 2k4r s TRP 57 Ca 0.70 -0.73 0.00 0.00 -1.06 0.00 0.00 56.10 55.01 2k4r s TRP 57 Cb -0.22 -0.19 -0.04 0.00 -1.16 0.00 0.00 33.47 31.86 2k4r s TRP 57 CO 0.31 -0.45 0.14 0.00 -4.06 0.00 0.00 176.95 172.89 2k4r s PHE 59 N -3.98 3.30 0.02 0.00 0.08 -1.26 -0.44 117.98 115.69 2k4r s PHE 59 Ca 0.39 0.70 -0.01 0.00 0.12 0.00 0.00 56.93 58.12 2k4r s PHE 59 Cb 0.07 -2.72 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 2k4r s PHE 59 CO 0.14 -0.24 0.16 1.52 -0.10 0.00 0.00 175.22 176.70 2k4r s TYR 60 N 2.16 3.45 -0.15 0.36 -0.85 0.23 0.58 117.35 123.14 2k4r s TYR 60 Ca 0.23 0.27 -0.02 0.00 -0.52 0.00 0.00 57.07 57.03 2k4r s TYR 60 Cb -0.16 -1.77 -0.02 0.00 0.38 0.00 0.00 41.96 40.39 2k4r s TYR 60 CO 0.09 0.60 -0.09 0.50 -1.52 0.00 0.00 175.55 175.14 2k4r s ARG 61 N -2.09 3.50 0.38 -3.49 3.52 -0.92 -2.02 118.95 117.83 2k4r s ARG 61 Ca 0.29 -0.62 0.08 0.00 -0.13 0.00 0.00 55.73 55.35 2k4r s ARG 61 Cb -0.13 -2.77 -0.06 0.00 -1.56 0.00 0.00 34.95 30.43 2k4r s ARG 61 CO 0.20 0.19 0.10 0.54 -0.81 0.00 0.00 175.30 175.52 2k4r s ASN 62 N 0.45 4.29 0.00 -2.12 2.20 -0.97 -4.65 114.94 114.14 2k4r s ASN 62 Ca -0.07 -1.06 0.02 0.00 -0.94 0.00 0.00 52.86 50.81 2k4r s ASN 62 Cb -0.15 -0.51 0.09 0.00 -2.00 0.00 0.00 41.25 38.68 2k4r s ASN 62 CO 0.04 -0.40 1.04 0.00 -2.94 0.00 0.00 177.10 174.84 2k4r n ALA 63 N -1.09 2.49 1.04 3.54 0.00 -1.26 -1.90 120.51 123.32 2k4r n ALA 63 Ca -0.03 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.51 2k4r n ALA 63 Cb 0.64 -1.03 0.08 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.52 0.39 -0.26 0.00 6.02 -1.26 -4.94 117.38 116.81 2k4r n GLN 64 Ca 0.01 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 2k4r n GLN 64 Cb 0.01 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.77 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 1.46 0.73 3.93 1.08 0.00 -0.80 -5.06 105.19 106.53 2k4r n GLY 65 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.74 3.54 -0.23 1.61 1.02 -1.25 -4.96 119.74 118.73 2k4r s LYS 66 Ca 0.00 -0.25 -0.02 0.00 0.02 0.00 0.00 55.97 55.73 2k4r s LYS 66 Cb 0.00 -2.72 0.07 0.00 -0.52 0.00 0.00 37.83 34.66 2k4r s LYS 66 CO 0.00 0.26 0.03 0.08 -0.92 0.00 0.00 175.35 174.80 2k4r s VAL 67 N -2.09 0.82 0.18 3.17 1.01 -1.26 -2.28 120.40 119.95 2k4r s VAL 67 Ca 0.40 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.53 2k4r s VAL 67 Cb -0.10 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 2k4r s VAL 67 CO 0.32 -0.28 -0.01 -1.81 0.00 0.00 0.00 175.10 173.32 2k4r s ASP 68 N 1.71 1.38 0.13 3.32 1.01 -0.86 -4.07 116.67 119.29 2k4r s ASP 68 Ca 0.00 -1.17 0.02 0.00 0.71 0.00 0.00 52.55 52.11 2k4r s ASP 68 Cb -0.18 0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.81 2k4r s ASP 68 CO -0.11 -0.54 0.24 -1.66 0.21 0.00 0.00 175.17 173.31 2k4r s TRP 69 N -3.58 3.44 -0.06 4.23 1.48 -1.26 0.75 118.94 123.93 2k4r s TRP 69 Ca 0.24 0.13 -0.16 0.00 -1.06 0.00 0.00 56.10 55.25 2k4r s TRP 69 Cb 0.06 -1.67 0.03 0.00 -1.16 0.00 0.00 33.47 30.73 2k4r s TRP 69 CO 0.05 0.53 0.37 0.20 -4.06 0.00 0.00 176.95 174.04 2k4r s GLY 70 N -3.01 -0.24 0.24 3.67 0.00 0.42 -4.71 107.32 103.68 2k4r s GLY 70 Ca 0.34 0.68 -0.30 0.00 0.00 0.00 0.00 44.72 45.44 2k4r s GLY 70 CO 0.27 0.48 1.15 -0.19 0.00 0.00 0.00 173.10 174.82 2k4r s TYR 71 N -0.78 3.48 -0.67 1.90 2.02 0.46 -1.73 117.35 122.03 2k4r s TYR 71 Ca -0.09 1.56 -0.07 0.00 -0.37 0.00 0.00 57.07 58.11 2k4r s TYR 71 Cb -0.04 -3.37 -0.17 0.00 -0.40 0.00 0.00 41.96 37.98 2k4r s TYR 71 CO 0.03 -0.91 3.12 0.00 -1.57 0.00 0.00 175.55 176.23 2k4r n ASP 73 N 3.06 0.00 -2.67 0.00 2.03 -1.26 -1.99 116.55 115.72 2k4r n ASP 73 Ca 0.54 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.82 2k4r n ASP 73 Cb 0.56 -0.02 0.04 0.00 -0.72 0.00 0.00 41.12 40.98 2k4r n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k4r n GLY 75 N 2.48 -0.78 2.55 0.00 0.00 -1.26 -5.01 105.19 103.17 2k4r n GLY 75 Ca 0.10 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.32 0.20 0.00 1.61 0.74 -1.26 -5.10 119.66 111.53 2k4r s GLN 76 Ca 0.34 -0.53 0.00 0.00 0.05 0.00 0.00 55.36 55.22 2k4r s GLN 76 Cb -0.04 -1.22 0.00 0.00 1.10 0.00 0.00 33.01 32.85 2k4r s GLN 76 CO 0.63 -1.00 0.00 0.41 -0.55 0.00 0.00 175.29 174.78