#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 5.02 -1.49 2.55 0.00 0.00 -1.26 -2.67 105.19 107.34 2k4r n GLY 3 Ca -0.12 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 2k4r n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4r n ALA 4 N -0.23 6.56 -1.82 4.61 0.00 -1.26 -4.52 120.51 123.84 2k4r n ALA 4 Ca 0.00 -4.08 -0.03 0.00 0.00 0.00 0.00 53.44 49.33 2k4r n ALA 4 Cb 0.05 -2.49 0.01 0.00 0.00 0.00 0.00 19.45 17.03 2k4r n ALA 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k4r n GLY 5 N 1.00 0.54 3.55 0.00 0.00 -1.25 -4.80 105.19 104.23 2k4r n GLY 5 Ca 0.56 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.27 3.44 0.29 1.61 2.12 -1.09 -4.38 118.70 117.41 2k4r s GLU 6 Ca 0.08 -0.03 -0.20 0.00 0.36 0.00 0.00 54.97 55.17 2k4r s GLU 6 Cb -0.01 -3.94 -0.09 0.00 0.26 0.00 0.00 34.13 30.35 2k4r s GLU 6 CO 0.13 -1.18 0.81 -1.25 -0.54 0.00 0.00 175.26 173.23 2k4r s PRO 7 N 3.48 4.28 0.38 4.30 0.04 -1.20 -4.31 135.00 141.97 2k4r s PRO 7 Ca 0.32 0.97 0.23 0.00 0.04 0.00 0.00 61.00 62.57 2k4r s PRO 7 Cb -0.11 -2.69 0.36 0.00 0.04 0.00 0.00 34.50 32.09 2k4r s PRO 7 CO 0.24 0.27 1.56 2.35 0.04 0.00 0.00 177.00 181.46 2k4r h TRP 8 N 2.96 0.00 0.00 0.56 7.01 -1.85 -3.49 115.95 121.14 2k4r h TRP 8 Ca -0.48 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.52 2k4r h TRP 8 Cb 1.19 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.25 2k4r h TRP 8 CO 0.63 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.69 2k4r n GLY 9 N 1.14 1.84 1.92 2.65 0.00 -1.26 -4.59 105.19 106.89 2k4r n GLY 9 Ca 0.04 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 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 0.17 3.43 -3.67 1.61 5.03 -1.26 -2.20 115.26 118.37 2k4r n ASN 10 Ca 0.00 -3.64 -0.09 0.00 0.87 0.00 0.00 54.58 51.72 2k4r n ASN 10 Cb 0.00 -0.78 -0.09 0.00 -1.02 0.00 0.00 39.78 37.89 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 -3.27 -1.39 -0.04 5.41 0.00 -1.26 0.52 121.76 121.73 2k4r s ALA 11 Ca 0.53 1.88 -0.34 0.00 0.00 0.00 0.00 51.96 54.03 2k4r s ALA 11 Cb 0.46 -1.12 -0.12 0.00 0.00 0.00 0.00 23.12 22.33 2k4r s ALA 11 CO 0.08 -0.31 1.80 0.25 0.00 0.00 0.00 175.76 177.58 2k4r n THR 12 N 4.23 0.43 0.24 0.00 -2.24 0.16 -3.52 114.28 113.58 2k4r n THR 12 Ca -0.22 -0.08 0.14 0.00 -2.27 0.00 0.00 64.05 61.62 2k4r n THR 12 Cb 0.57 -1.76 0.73 0.00 -2.10 0.00 0.00 70.33 67.77 2k4r n THR 12 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k4r h ASN 13 N 8.34 0.00 -0.12 3.42 -1.07 -1.86 0.84 115.58 125.13 2k4r h ASN 13 Ca -0.48 0.00 0.03 0.00 0.07 0.00 0.00 56.30 55.93 2k4r h ASN 13 Cb 1.27 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.52 2k4r h ASN 13 CO 0.93 0.00 0.17 0.25 0.07 0.00 0.00 177.43 178.86 2k4r h LEU 14 N 0.00 0.00 0.00 6.14 5.85 -1.86 -3.46 115.31 121.99 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 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 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 -1.33 1.17 2.72 3.75 0.00 0.28 -5.09 105.19 106.70 2k4r n GLY 15 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 -0.09 0.39 1.61 1.01 -0.62 -4.97 120.40 115.73 2k4r s VAL 16 Ca 0.00 0.33 -0.26 0.00 0.00 0.00 0.00 61.98 62.04 2k4r s VAL 16 Cb 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 36.38 36.17 2k4r s VAL 16 CO 0.00 0.14 1.26 -2.16 0.00 0.00 0.00 175.10 174.34 2k4r s PRO 17 N 1.64 4.04 0.01 2.72 0.04 -1.26 0.39 135.00 142.58 2k4r s PRO 17 Ca -0.02 2.07 -0.23 0.00 0.04 0.00 0.00 61.00 62.86 2k4r s PRO 17 Cb -0.12 -2.78 -0.05 0.00 0.04 0.00 0.00 34.50 31.59 2k4r s PRO 17 CO -0.03 -0.40 0.71 0.00 0.04 0.00 0.00 177.00 177.31 2k4r s LEU 19 N 0.06 3.41 0.10 0.00 2.96 0.17 -4.81 118.68 120.58 2k4r s LEU 19 Ca 0.36 0.58 -0.30 0.00 -0.22 0.00 0.00 54.13 54.55 2k4r s LEU 19 Cb -0.19 -3.44 -0.06 0.00 0.50 0.00 0.00 46.19 43.00 2k4r s LEU 19 CO 0.20 -0.89 1.07 -1.00 -1.32 0.00 0.00 176.35 174.41 2k4r s HIS 20 N -2.82 3.62 0.31 5.38 3.76 -1.26 -4.44 115.29 119.84 2k4r s HIS 20 Ca 0.51 1.59 0.02 0.00 -0.15 0.00 0.00 55.06 57.03 2k4r s HIS 20 Cb -0.10 -3.23 0.51 0.00 1.11 0.00 0.00 32.58 30.87 2k4r s HIS 20 CO 0.43 -0.48 1.84 -1.49 -0.85 0.00 0.00 174.74 174.19 2k4r h TRP 21 N 5.95 0.66 -0.00 1.40 4.06 -1.35 -0.78 115.95 125.89 2k4r h TRP 21 Ca -0.43 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.45 2k4r h TRP 21 Cb 1.21 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 2k4r h TRP 21 CO 0.65 0.62 -0.16 -3.47 -3.56 0.00 0.00 178.44 172.52 2k4r n ASP 22 N -4.27 0.28 -1.05 -3.49 2.03 -0.48 -3.10 116.55 106.48 2k4r n ASP 22 Ca 0.02 -0.09 0.11 0.00 0.52 0.00 0.00 54.79 55.35 2k4r n ASP 22 Cb 0.25 -0.16 0.18 0.00 -0.72 0.00 0.00 41.12 40.67 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 -1.30 2.36 -2.33 -0.67 -0.58 -0.33 -4.93 120.64 112.86 2k4r n GLU 23 Ca 0.10 -2.14 -0.42 0.00 -0.42 0.00 0.00 57.16 54.27 2k4r n GLU 23 Cb 0.31 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.68 2k4r n GLU 23 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2k4r s VAL 24 N -1.51 4.02 0.28 2.62 1.01 -1.02 -4.93 120.40 120.87 2k4r s VAL 24 Ca 0.34 1.33 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 2k4r s VAL 24 Cb 0.21 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 2k4r s VAL 24 CO 0.29 -0.04 1.34 -2.16 0.00 0.00 0.00 175.10 174.53 2k4r s PRO 25 N 2.75 4.35 0.42 2.72 0.04 -1.26 -4.94 135.00 139.08 2k4r s PRO 25 Ca 0.60 2.20 0.12 0.00 0.04 0.00 0.00 61.00 63.95 2k4r s PRO 25 Cb -0.27 -3.11 0.91 0.00 0.04 0.00 0.00 34.50 32.07 2k4r s PRO 25 CO 0.22 -0.25 1.97 -1.00 0.04 0.00 0.00 177.00 177.98 2k4r h PRO 26 N 4.22 0.15 -3.98 0.56 0.13 -2.00 -3.26 132.00 127.82 2k4r h PRO 26 Ca -0.47 -0.03 -0.78 0.00 -0.87 0.00 0.00 66.00 63.85 2k4r h PRO 26 Cb 1.22 -0.02 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 2k4r h PRO 26 CO 0.71 0.27 0.47 -0.06 -0.23 0.00 0.00 178.00 179.16 2k4r s PHE 27 N -4.78 3.86 0.05 1.56 0.08 -1.26 -5.01 117.98 112.47 2k4r s PHE 27 Ca -0.05 -2.21 0.02 0.00 0.12 0.00 0.00 56.93 54.81 2k4r s PHE 27 Cb 0.16 -3.94 -0.04 0.00 -0.57 0.00 0.00 43.02 38.63 2k4r s PHE 27 CO 0.71 -1.08 0.08 -1.17 -0.10 0.00 0.00 175.22 173.66 2k4r s LEU 28 N 0.07 3.84 0.23 -0.37 2.96 -1.23 -5.02 118.68 119.15 2k4r s LEU 28 Ca 0.27 0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 54.15 2k4r s LEU 28 Cb -0.09 -2.41 0.21 0.00 0.50 0.00 0.00 46.19 44.40 2k4r s LEU 28 CO -0.08 0.21 1.90 -0.33 -1.32 0.00 0.00 176.35 176.73 2k4r h GLU 29 N 3.59 1.13 0.00 1.98 5.08 -1.92 -3.44 114.58 120.99 2k4r h GLU 29 Ca -0.47 -0.07 -0.34 0.00 -1.00 0.00 0.00 59.36 57.48 2k4r h GLU 29 Cb 1.17 -0.25 0.13 0.00 0.50 0.00 0.00 28.75 30.29 2k4r h GLU 29 CO 0.65 0.75 0.30 2.89 -1.00 0.00 0.00 179.01 182.59 2k4r n ARG 30 N -4.49 -0.87 -3.81 2.33 -4.01 -1.26 -5.09 116.66 99.47 2k4r n ARG 30 Ca 0.09 -1.68 -0.29 0.00 -1.04 0.00 0.00 57.85 54.94 2k4r n ARG 30 Cb 0.02 -0.99 -0.16 0.00 -3.04 0.00 0.00 32.46 28.29 2k4r n ARG 30 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2k4r s SER 31 N -4.72 3.23 0.43 2.89 0.15 -1.26 -5.09 113.70 109.32 2k4r s SER 31 Ca 0.58 -0.94 -0.21 0.00 0.70 0.00 0.00 55.95 56.08 2k4r s SER 31 Cb -0.02 -0.80 -0.10 0.00 -1.71 0.00 0.00 66.02 63.39 2k4r s SER 31 CO 0.40 -0.28 0.97 -2.16 1.20 0.00 0.00 173.24 173.38 2k4r s PRO 32 N 1.70 4.17 0.55 5.44 0.04 -1.26 -4.96 135.00 140.68 2k4r s PRO 32 Ca -0.03 1.22 0.33 0.00 0.04 0.00 0.00 61.00 62.55 2k4r s PRO 32 Cb -0.18 -2.24 1.53 0.00 0.04 0.00 0.00 34.50 33.65 2k4r s PRO 32 CO -0.07 -0.09 2.06 -1.00 0.04 0.00 0.00 177.00 177.93 2k4r h PRO 33 N 1.99 0.00 -2.91 0.56 0.13 -2.04 -3.45 132.00 126.27 2k4r h PRO 33 Ca -0.49 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 2k4r h PRO 33 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 2k4r h PRO 33 CO 0.61 0.07 0.25 0.00 -0.23 0.00 0.00 178.00 178.70 2k4r s ALA 34 N -3.91 -1.51 0.22 -0.56 0.00 -1.26 -5.14 121.76 109.61 2k4r s ALA 34 Ca -0.01 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 2k4r s ALA 34 Cb 0.11 0.83 -0.09 0.00 0.00 0.00 0.00 23.12 23.97 2k4r s ALA 34 CO 0.54 -0.86 1.33 0.45 0.00 0.00 0.00 175.76 177.23 2k4r s SER 35 N -2.79 6.84 -0.01 0.00 0.15 -1.26 -4.93 113.70 111.69 2k4r s SER 35 Ca 0.05 2.48 0.09 0.00 0.70 0.00 0.00 55.95 59.28 2k4r s SER 35 Cb -0.02 -2.62 0.27 0.00 -1.71 0.00 0.00 66.02 61.94 2k4r s SER 35 CO -0.06 -0.56 1.22 -2.67 1.20 0.00 0.00 173.24 172.37 2k4r n TRP 36 N 2.37 0.41 0.29 3.44 4.27 -1.26 -4.46 117.44 122.50 2k4r n TRP 36 Ca 0.06 -0.53 0.14 0.00 -3.89 0.00 0.00 57.50 53.28 2k4r n TRP 36 Cb 0.42 -0.05 0.88 0.00 -1.36 0.00 0.00 31.31 31.20 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 1.66 1.55 -0.00 -1.67 0.00 -2.01 -0.05 119.26 118.74 2k4r h ALA 37 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k4r h ALA 37 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2k4r h ALA 37 CO 0.01 0.01 -0.05 -0.85 0.00 0.00 0.00 179.25 178.38 2k4r n GLU 38 N -3.89 0.05 0.16 0.00 0.28 -1.26 -3.15 120.64 112.83 2k4r n GLU 38 Ca -0.03 -0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.01 2k4r n GLU 38 Cb 0.10 -1.50 0.45 0.00 1.43 0.00 0.00 31.44 31.91 2k4r n GLU 38 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2k4r h LEU 39 N 0.01 0.13 2.14 -1.84 3.38 -1.31 -3.46 115.31 114.36 2k4r h LEU 39 Ca 0.00 -0.02 -0.33 0.00 0.09 0.00 0.00 57.88 57.62 2k4r h LEU 39 Cb 0.48 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2k4r h LEU 39 CO 0.00 0.28 -0.43 -1.14 0.09 0.00 0.00 178.44 177.24 2k4r n ARG 40 N -4.31 -1.66 -0.76 1.13 0.63 -1.19 -4.86 116.66 105.65 2k4r n ARG 40 Ca -0.01 0.79 0.06 0.00 -0.92 0.00 0.00 57.85 57.77 2k4r n ARG 40 Cb 0.24 -5.22 0.34 0.00 0.45 0.00 0.00 32.46 28.28 2k4r n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k4r n GLY 41 N -1.06 3.49 0.43 5.14 0.00 -1.26 -4.80 105.19 107.13 2k4r n GLY 41 Ca -0.18 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 3.01 -0.39 -0.02 1.61 1.08 -1.89 -1.11 115.11 117.40 2k4r h GLN 42 Ca 0.04 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.27 2k4r h GLN 42 Cb 1.84 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 29.36 2k4r h GLN 42 CO 0.43 -0.26 0.12 -1.00 -0.95 0.00 0.00 178.83 177.16 2k4r h PRO 43 N -0.41 0.00 0.00 1.46 0.13 -1.96 -1.26 132.00 129.97 2k4r h PRO 43 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2k4r h PRO 43 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2k4r h PRO 43 CO -0.55 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 174.83 2k4r n HIS 44 N -3.14 0.00 -4.92 1.56 1.44 -0.42 -4.95 115.22 104.79 2k4r n HIS 44 Ca -0.02 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.43 2k4r n HIS 44 Cb 0.19 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.14 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 -0.91 2.32 0.00 4.39 4.22 -1.26 -1.51 114.94 122.19 2k4r s ASN 45 Ca 0.00 -0.38 0.00 0.00 -2.14 0.00 0.00 52.86 50.34 2k4r s ASN 45 Cb 0.00 -0.25 0.00 0.00 1.28 0.00 0.00 41.25 42.28 2k4r s ASN 45 CO 0.00 0.23 0.00 0.33 -2.04 0.00 0.00 177.10 175.62 2k4r n PHE 46 N 2.50 0.00 -1.57 1.54 7.35 -1.26 -4.81 117.46 121.22 2k4r n PHE 46 Ca -0.15 0.00 -0.50 0.00 -0.76 0.00 0.00 57.45 56.04 2k4r n PHE 46 Cb 0.53 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.32 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 -0.20 0.68 -0.29 0.00 1.81 0.06 -4.73 118.95 116.26 2k4r s ARG 48 Ca 0.76 0.07 0.02 0.00 -1.72 0.00 0.00 55.73 54.86 2k4r s ARG 48 Cb -0.90 -0.98 0.20 0.00 -0.45 0.00 0.00 34.95 32.81 2k4r s ARG 48 CO 0.52 -0.27 0.66 0.45 -0.68 0.00 0.00 175.30 175.98 2k4r s SER 49 N 1.83 -1.42 0.06 0.23 0.15 -1.26 -2.03 113.70 111.27 2k4r s SER 49 Ca 0.03 0.24 -0.21 0.00 0.70 0.00 0.00 55.95 56.71 2k4r s SER 49 Cb -0.12 1.93 -0.12 0.00 -1.71 0.00 0.00 66.02 66.00 2k4r s SER 49 CO -0.05 -0.26 1.52 -0.65 1.20 0.00 0.00 173.24 175.00 2k4r h PRO 50 N 7.90 0.25 0.00 5.44 0.11 -1.95 -3.41 132.00 140.34 2k4r h PRO 50 Ca -0.05 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2k4r h PRO 50 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k4r h PRO 50 CO 0.12 0.44 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 2k4r n ASP 51 N -4.79 0.00 0.00 -2.05 5.75 -1.26 -4.80 116.55 109.40 2k4r n ASP 51 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 2k4r n ASP 51 Cb 0.19 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 1.49 0.00 6.12 0.00 -1.26 -2.15 105.19 109.40 2k4r n GLY 52 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 2.23 -1.45 4.61 0.00 -1.26 -5.00 120.51 119.64 2k4r n ALA 53 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 2k4r n ALA 53 Cb 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 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 2.14 1.57 2.74 0.00 0.00 -0.91 -4.96 105.19 105.76 2k4r n GLY 54 Ca -0.02 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.30 0.72 0.24 1.61 3.52 -1.26 -4.58 118.95 115.90 2k4r s ARG 55 Ca 0.00 -0.72 -0.31 0.00 -0.13 0.00 0.00 55.73 54.57 2k4r s ARG 55 Cb 0.00 -2.03 -0.14 0.00 -1.56 0.00 0.00 34.95 31.22 2k4r s ARG 55 CO 0.00 -0.80 1.36 -2.30 -0.81 0.00 0.00 175.30 172.75 2k4r n PRO 56 N 4.96 1.92 -4.13 5.12 -0.02 -1.26 -4.68 135.00 136.90 2k4r n PRO 56 Ca -0.06 0.68 -0.15 0.00 -2.02 0.00 0.00 63.50 61.95 2k4r n PRO 56 Cb 0.45 -2.31 -0.12 0.00 -0.02 0.00 0.00 33.50 31.49 2k4r n PRO 56 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2k4r s TRP 57 N -0.18 0.76 0.32 6.00 1.48 -0.86 -0.12 118.94 126.34 2k4r s TRP 57 Ca 0.67 -0.39 0.03 0.00 -1.06 0.00 0.00 56.10 55.36 2k4r s TRP 57 Cb -0.67 -0.46 -0.06 0.00 -1.16 0.00 0.00 33.47 31.13 2k4r s TRP 57 CO 0.51 -0.04 0.07 0.00 -4.06 0.00 0.00 176.95 173.43 2k4r s PHE 59 N -3.36 3.26 -0.06 0.00 0.08 -1.26 -0.35 117.98 116.29 2k4r s PHE 59 Ca 0.36 0.59 -0.10 0.00 0.12 0.00 0.00 56.93 57.91 2k4r s PHE 59 Cb 0.08 -2.69 -0.05 0.00 -0.57 0.00 0.00 43.02 39.80 2k4r s PHE 59 CO 0.15 -0.27 0.25 1.52 -0.10 0.00 0.00 175.22 176.78 2k4r s TYR 60 N 2.25 3.64 -0.14 0.36 -0.85 0.24 0.46 117.35 123.31 2k4r s TYR 60 Ca 0.20 0.70 0.03 0.00 -0.52 0.00 0.00 57.07 57.48 2k4r s TYR 60 Cb -0.16 -2.07 0.01 0.00 0.38 0.00 0.00 41.96 40.12 2k4r s TYR 60 CO 0.09 0.69 -0.22 0.50 -1.52 0.00 0.00 175.55 175.09 2k4r s ARG 61 N -1.15 3.01 -0.13 -3.49 3.52 -0.80 -1.48 118.95 118.43 2k4r s ARG 61 Ca 0.20 -0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 54.92 2k4r s ARG 61 Cb -0.14 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.80 2k4r s ARG 61 CO 0.09 -0.01 -0.05 -0.80 -0.81 0.00 0.00 175.30 173.72 2k4r s ASN 62 N 0.81 4.70 0.00 -2.12 0.02 0.33 -4.66 114.94 114.02 2k4r s ASN 62 Ca -0.07 -0.12 0.00 0.00 -1.02 0.00 0.00 52.86 51.65 2k4r s ASN 62 Cb -0.16 -1.64 0.00 0.00 0.02 0.00 0.00 41.25 39.48 2k4r s ASN 62 CO -0.02 0.21 0.30 0.00 0.02 0.00 0.00 177.10 177.62 2k4r n ALA 63 N 3.22 1.89 0.38 0.60 0.00 -1.26 -1.24 120.51 124.10 2k4r n ALA 63 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.31 2k4r n ALA 63 Cb 0.53 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 19.01 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 0.22 0.28 0.00 0.00 3.00 -1.26 -4.96 117.38 114.66 2k4r n GLN 64 Ca 0.00 -1.05 0.00 0.00 -0.01 0.00 0.00 57.00 55.94 2k4r n GLN 64 Cb 0.15 -1.18 0.00 0.00 0.00 0.00 0.00 30.24 29.22 2k4r n GLN 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k4r n GLY 65 N 0.51 1.87 3.25 1.08 0.00 -0.37 -5.12 105.19 106.40 2k4r n GLY 65 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.52 2.52 -0.43 1.61 1.02 -0.89 -4.96 119.74 118.09 2k4r s LYS 66 Ca 0.00 -0.87 0.04 0.00 0.02 0.00 0.00 55.97 55.17 2k4r s LYS 66 Cb 0.00 -2.10 0.17 0.00 -0.52 0.00 0.00 37.83 35.38 2k4r s LYS 66 CO 0.00 0.34 0.43 0.08 -0.92 0.00 0.00 175.35 175.28 2k4r s VAL 67 N -0.07 -0.10 0.30 3.17 1.01 -1.25 0.12 120.40 123.57 2k4r s VAL 67 Ca -0.06 -1.93 0.03 0.00 0.00 0.00 0.00 61.98 60.02 2k4r s VAL 67 Cb -0.14 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2k4r s VAL 67 CO 0.04 -0.83 0.15 -1.81 0.00 0.00 0.00 175.10 172.66 2k4r s ASP 68 N 0.53 1.47 0.13 3.32 1.01 -0.55 -3.93 116.67 118.65 2k4r s ASP 68 Ca 0.29 -1.54 -0.04 0.00 0.71 0.00 0.00 52.55 51.97 2k4r s ASP 68 Cb -0.02 0.37 -0.05 0.00 1.01 0.00 0.00 42.92 44.23 2k4r s ASP 68 CO -0.12 -0.87 0.36 -1.66 0.21 0.00 0.00 175.17 173.08 2k4r s TRP 69 N -3.63 3.48 -0.05 4.23 1.48 -1.26 0.80 118.94 123.99 2k4r s TRP 69 Ca 0.36 0.52 -0.17 0.00 -1.06 0.00 0.00 56.10 55.75 2k4r s TRP 69 Cb 0.05 -1.98 0.03 0.00 -1.16 0.00 0.00 33.47 30.42 2k4r s TRP 69 CO 0.17 0.46 0.39 0.20 -4.06 0.00 0.00 176.95 174.11 2k4r s GLY 70 N -2.42 -0.26 -0.00 3.67 0.00 0.52 -4.88 107.32 103.96 2k4r s GLY 70 Ca 0.40 0.68 -0.29 0.00 0.00 0.00 0.00 44.72 45.51 2k4r s GLY 70 CO 0.25 0.45 0.92 -0.19 0.00 0.00 0.00 173.10 174.53 2k4r s TYR 71 N -0.96 3.66 -1.45 1.90 2.02 -1.23 -1.63 117.35 119.67 2k4r s TYR 71 Ca -0.10 1.62 -0.09 0.00 -0.37 0.00 0.00 57.07 58.12 2k4r s TYR 71 Cb -0.04 -3.05 0.04 0.00 -0.40 0.00 0.00 41.96 38.52 2k4r s TYR 71 CO 0.04 0.04 2.46 0.00 -1.57 0.00 0.00 175.55 176.52 2k4r n ASP 73 N 3.60 0.00 0.00 0.00 2.03 -1.26 -3.25 116.55 117.68 2k4r n ASP 73 Ca 0.62 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.93 2k4r n ASP 73 Cb 0.29 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 -1.01 5.03 2.87 0.00 0.00 -1.26 -3.61 105.19 107.22 2k4r n GLY 75 Ca 0.00 -2.47 -0.30 0.00 0.00 0.00 0.00 46.02 43.25 2k4r n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k4r s GLN 76 N -3.35 1.47 0.00 1.61 -1.52 -1.26 -5.11 119.66 111.50 2k4r s GLN 76 Ca 0.45 -2.03 0.00 0.00 -1.95 0.00 0.00 55.36 51.82 2k4r s GLN 76 Cb 0.36 -2.83 0.00 0.00 -0.22 0.00 0.00 33.01 30.32 2k4r s GLN 76 CO -0.13 -1.06 0.00 0.41 -0.25 0.00 0.00 175.29 174.26