#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 2.96 -0.16 2.69 0.00 0.00 -1.26 -4.94 105.19 104.47 2k4r n GLY 3 Ca -0.13 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 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 -3.00 5.94 -1.20 4.61 0.00 -1.26 -4.44 120.51 121.16 2k4r n ALA 4 Ca -0.00 -4.02 0.00 0.00 0.00 0.00 0.00 53.44 49.42 2k4r n ALA 4 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.24 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 3.24 -0.31 3.57 0.00 0.00 -1.26 -4.70 105.19 105.74 2k4r n GLY 5 Ca 0.53 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.54 3.60 -0.14 1.61 0.41 -0.78 -4.58 118.70 117.28 2k4r s GLU 6 Ca 0.00 0.27 -0.23 0.00 -0.41 0.00 0.00 54.97 54.60 2k4r s GLU 6 Cb 0.00 -3.91 -0.03 0.00 -1.78 0.00 0.00 34.13 28.42 2k4r s GLU 6 CO 0.00 -1.20 0.70 -1.25 -0.49 0.00 0.00 175.26 173.01 2k4r s PRO 7 N 3.79 4.32 0.31 0.39 0.04 -1.17 -3.85 135.00 138.83 2k4r s PRO 7 Ca 0.38 0.80 0.18 0.00 0.04 0.00 0.00 61.00 62.40 2k4r s PRO 7 Cb -0.10 -3.52 0.14 0.00 0.04 0.00 0.00 34.50 31.05 2k4r s PRO 7 CO 0.26 -0.14 1.43 2.35 0.04 0.00 0.00 177.00 180.94 2k4r h TRP 8 N 7.15 0.00 0.00 0.56 7.01 -1.86 -3.49 115.95 125.33 2k4r h TRP 8 Ca -0.35 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.65 2k4r h TRP 8 Cb 1.16 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.22 2k4r h TRP 8 CO 0.69 0.31 0.00 0.41 -2.79 0.00 0.00 178.44 177.06 2k4r n GLY 9 N 1.19 2.30 1.01 2.65 0.00 -1.26 -4.61 105.19 106.47 2k4r n GLY 9 Ca 0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 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 0.97 2.27 -3.70 1.61 5.03 -1.26 -2.04 115.26 118.13 2k4r n ASN 10 Ca 0.00 -3.84 -0.12 0.00 0.87 0.00 0.00 54.58 51.49 2k4r n ASN 10 Cb 0.00 -0.60 -0.09 0.00 -1.02 0.00 0.00 39.78 38.07 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 -3.26 -1.22 -1.28 5.41 0.00 -1.25 0.04 121.76 120.19 2k4r s ALA 11 Ca 0.43 1.47 -0.19 0.00 0.00 0.00 0.00 51.96 53.67 2k4r s ALA 11 Cb 0.40 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.68 2k4r s ALA 11 CO -0.03 -0.25 1.80 0.25 0.00 0.00 0.00 175.76 177.53 2k4r n THR 12 N 3.17 3.47 0.00 0.00 -2.24 -0.18 -3.33 114.28 115.16 2k4r n THR 12 Ca -0.16 -3.59 0.00 0.00 -2.27 0.00 0.00 64.05 58.03 2k4r n THR 12 Cb 0.56 -2.32 0.00 0.00 -2.10 0.00 0.00 70.33 66.48 2k4r n THR 12 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k4r n ASN 13 N 9.68 0.00 -0.34 3.42 0.23 -1.26 -1.97 115.26 125.01 2k4r n ASN 13 Ca 0.48 0.00 0.36 0.00 -0.53 0.00 0.00 54.58 54.89 2k4r n ASN 13 Cb 0.46 0.00 0.75 0.00 -2.08 0.00 0.00 39.78 38.91 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 0.01 0.00 -4.53 5.85 -1.89 -3.45 115.31 111.31 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 -1.77 1.00 3.64 3.75 0.00 -0.83 -5.11 105.19 105.86 2k4r n GLY 15 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.99 5.31 0.11 1.61 1.01 -1.26 -4.81 120.40 120.38 2k4r s VAL 16 Ca 0.00 0.29 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 2k4r s VAL 16 Cb 0.00 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 2k4r s VAL 16 CO 0.00 0.29 1.47 -2.16 0.00 0.00 0.00 175.10 174.70 2k4r s PRO 17 N 1.38 4.27 0.05 2.72 0.04 -1.25 -1.01 135.00 141.21 2k4r s PRO 17 Ca 0.10 2.17 -0.30 0.00 0.04 0.00 0.00 61.00 63.00 2k4r s PRO 17 Cb -0.15 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 2k4r s PRO 17 CO 0.07 -0.53 1.13 0.00 0.04 0.00 0.00 177.00 177.71 2k4r s LEU 19 N 0.94 3.10 0.27 0.00 2.96 0.22 -4.81 118.68 121.35 2k4r s LEU 19 Ca 0.56 0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 54.69 2k4r s LEU 19 Cb -0.27 -3.28 -0.09 0.00 0.50 0.00 0.00 46.19 43.05 2k4r s LEU 19 CO 0.29 -1.26 1.07 -1.00 -1.32 0.00 0.00 176.35 174.13 2k4r s HIS 20 N -3.04 3.65 0.39 5.38 3.76 -1.26 -4.51 115.29 119.65 2k4r s HIS 20 Ca 0.56 1.73 0.20 0.00 -0.15 0.00 0.00 55.06 57.40 2k4r s HIS 20 Cb -0.11 -3.23 1.08 0.00 1.11 0.00 0.00 32.58 31.43 2k4r s HIS 20 CO 0.44 -0.39 1.96 -1.49 -0.85 0.00 0.00 174.74 174.41 2k4r h TRP 21 N 3.94 0.00 -0.00 1.40 4.06 -1.35 0.59 115.95 124.59 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 0.59 0.22 -0.16 -3.47 -3.56 0.00 0.00 178.44 172.07 2k4r n ASP 22 N -3.92 0.42 -1.36 -3.49 2.03 -0.49 -3.65 116.55 106.08 2k4r n ASP 22 Ca -0.02 -0.35 0.10 0.00 0.52 0.00 0.00 54.79 55.04 2k4r n ASP 22 Cb 0.31 -0.09 0.32 0.00 -0.72 0.00 0.00 41.12 40.94 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 -1.12 3.11 -2.51 -0.67 -0.58 0.20 -4.92 120.64 114.15 2k4r n GLU 23 Ca 0.12 -2.70 -0.43 0.00 -0.42 0.00 0.00 57.16 53.73 2k4r n GLU 23 Cb 0.30 -1.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.48 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 -1.34 4.40 0.40 2.62 1.01 -1.21 -4.89 120.40 121.38 2k4r s VAL 24 Ca 0.47 1.70 -0.27 0.00 0.00 0.00 0.00 61.98 63.89 2k4r s VAL 24 Cb 0.27 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 2k4r s VAL 24 CO 0.28 -0.07 1.37 -2.16 0.00 0.00 0.00 175.10 174.52 2k4r s PRO 25 N 2.76 4.00 0.44 2.72 0.04 -1.26 -4.92 135.00 138.78 2k4r s PRO 25 Ca 0.53 2.32 0.12 0.00 0.04 0.00 0.00 61.00 64.00 2k4r s PRO 25 Cb -0.21 -2.84 1.01 0.00 0.04 0.00 0.00 34.50 32.51 2k4r s PRO 25 CO 0.17 -0.52 2.05 -1.00 0.04 0.00 0.00 177.00 177.73 2k4r h PRO 26 N 2.79 0.37 -4.44 0.56 0.13 -2.00 -3.32 132.00 126.09 2k4r h PRO 26 Ca -0.50 -0.02 -0.72 0.00 -0.87 0.00 0.00 66.00 63.88 2k4r h PRO 26 Cb 1.25 -0.08 -0.23 0.00 0.13 0.00 0.00 31.00 32.06 2k4r h PRO 26 CO 0.63 0.24 -0.42 -0.06 -0.23 0.00 0.00 178.00 178.17 2k4r s PHE 27 N -5.36 3.25 -0.04 1.56 0.08 -1.26 -5.07 117.98 111.14 2k4r s PHE 27 Ca -0.07 -0.89 -0.00 0.00 0.12 0.00 0.00 56.93 56.08 2k4r s PHE 27 Cb 0.18 -2.80 -0.03 0.00 -0.57 0.00 0.00 43.02 39.80 2k4r s PHE 27 CO 0.73 -0.70 0.01 -1.17 -0.10 0.00 0.00 175.22 173.98 2k4r s LEU 28 N 1.61 3.59 0.11 -0.37 2.96 -1.25 -5.02 118.68 120.31 2k4r s LEU 28 Ca 0.04 0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.86 2k4r s LEU 28 Cb -0.21 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2k4r s LEU 28 CO 0.07 0.32 1.55 -0.33 -1.32 0.00 0.00 176.35 176.65 2k4r h GLU 29 N 4.67 0.59 -6.23 1.98 5.08 -1.94 -3.44 114.58 115.29 2k4r h GLU 29 Ca -0.50 -0.19 -0.45 0.00 -1.00 0.00 0.00 59.36 57.22 2k4r h GLU 29 Cb 1.18 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2k4r h GLU 29 CO 0.57 0.72 -0.40 1.03 -1.00 0.00 0.00 179.01 179.92 2k4r s ARG 30 N -5.00 3.32 -0.18 2.33 1.81 -1.26 -5.10 118.95 114.87 2k4r s ARG 30 Ca -0.13 -0.85 -0.06 0.00 -1.72 0.00 0.00 55.73 52.96 2k4r s ARG 30 Cb 0.09 -2.86 -0.04 0.00 -0.45 0.00 0.00 34.95 31.70 2k4r s ARG 30 CO 0.77 0.31 0.04 0.45 -0.68 0.00 0.00 175.30 176.19 2k4r s SER 31 N -4.04 5.41 0.40 0.23 0.15 -1.26 -4.98 113.70 109.61 2k4r s SER 31 Ca 0.37 0.02 -0.24 0.00 0.70 0.00 0.00 55.95 56.81 2k4r s SER 31 Cb -0.09 -1.92 -0.09 0.00 -1.71 0.00 0.00 66.02 62.21 2k4r s SER 31 CO 0.30 0.17 1.03 -2.16 1.20 0.00 0.00 173.24 173.77 2k4r s PRO 32 N 0.38 4.20 0.49 5.44 0.04 -1.26 -4.96 135.00 139.33 2k4r s PRO 32 Ca 0.01 1.45 0.28 0.00 0.04 0.00 0.00 61.00 62.78 2k4r s PRO 32 Cb -0.13 -2.52 1.01 0.00 0.04 0.00 0.00 34.50 32.90 2k4r s PRO 32 CO 0.01 -0.10 1.85 -1.00 0.04 0.00 0.00 177.00 177.80 2k4r h PRO 33 N 2.48 0.00 -3.39 0.56 0.13 -2.02 -3.45 132.00 126.30 2k4r h PRO 33 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 2k4r h PRO 33 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 2k4r h PRO 33 CO 0.62 0.10 -0.32 0.00 -0.23 0.00 0.00 178.00 178.16 2k4r s ALA 34 N -3.56 -0.54 -0.20 -0.56 0.00 -1.26 -5.11 121.76 110.53 2k4r s ALA 34 Ca 0.02 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.60 2k4r s ALA 34 Cb 0.09 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.43 2k4r s ALA 34 CO 0.60 -0.36 1.96 0.45 0.00 0.00 0.00 175.76 178.41 2k4r s SER 35 N -1.96 5.91 0.00 0.00 0.15 -1.26 -4.84 113.70 111.70 2k4r s SER 35 Ca -0.06 1.85 0.22 0.00 0.70 0.00 0.00 55.95 58.66 2k4r s SER 35 Cb -0.02 -2.52 0.50 0.00 -1.71 0.00 0.00 66.02 62.27 2k4r s SER 35 CO -0.02 -1.60 1.43 -2.67 1.20 0.00 0.00 173.24 171.58 2k4r n TRP 36 N 10.00 0.45 0.24 3.44 4.27 -1.26 -3.79 117.44 130.80 2k4r n TRP 36 Ca 0.24 -0.22 0.17 0.00 -3.89 0.00 0.00 57.50 53.80 2k4r n TRP 36 Cb 0.45 0.00 0.87 0.00 -1.36 0.00 0.00 31.31 31.26 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 4.39 1.68 -0.01 -1.67 0.00 -2.01 0.62 119.26 122.28 2k4r h ALA 37 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4r h ALA 37 Cb 0.86 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2k4r h ALA 37 CO 0.00 -0.19 -0.08 0.39 0.00 0.00 0.00 179.25 179.37 2k4r n GLU 38 N -3.79 1.08 0.11 0.00 -0.58 -1.25 -3.46 120.64 112.75 2k4r n GLU 38 Ca -0.00 -0.48 -0.02 0.00 -0.42 0.00 0.00 57.16 56.23 2k4r n GLU 38 Cb 0.24 -1.49 0.20 0.00 -0.57 0.00 0.00 31.44 29.82 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 1.17 0.20 0.93 -4.62 3.38 -1.12 -3.47 115.31 111.78 2k4r h LEU 39 Ca 0.00 -0.09 -0.28 0.00 0.09 0.00 0.00 57.88 57.60 2k4r h LEU 39 Cb 0.38 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.10 2k4r h LEU 39 CO 0.00 0.66 -0.40 -1.14 0.09 0.00 0.00 178.44 177.65 2k4r n ARG 40 N -3.96 -2.74 -0.71 1.13 0.63 -1.22 -4.89 116.66 104.90 2k4r n ARG 40 Ca -0.02 0.64 0.01 0.00 -0.92 0.00 0.00 57.85 57.57 2k4r n ARG 40 Cb 0.53 -4.91 0.20 0.00 0.45 0.00 0.00 32.46 28.73 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 -1.21 5.09 0.45 5.14 0.00 -1.26 -4.90 105.19 108.50 2k4r n GLY 41 Ca -0.10 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 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 1.02 -0.51 -0.01 1.61 1.08 -1.90 -1.93 115.11 114.48 2k4r h GLN 42 Ca 0.09 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2k4r h GLN 42 Cb 1.26 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.80 2k4r h GLN 42 CO 0.17 -0.34 0.08 -1.35 -0.95 0.00 0.00 178.83 176.43 2k4r h PRO 43 N -0.53 0.00 0.00 1.46 0.11 -1.95 -1.30 132.00 129.79 2k4r h PRO 43 Ca 0.06 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.95 2k4r h PRO 43 Cb 0.66 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.72 2k4r h PRO 43 CO -0.45 0.00 -0.18 -2.39 -0.21 0.00 0.00 178.00 174.76 2k4r n HIS 44 N -3.13 0.04 -4.56 0.65 1.44 -0.73 -4.93 115.22 104.00 2k4r n HIS 44 Ca -0.03 -1.03 -0.24 0.00 -2.01 0.00 0.00 57.72 54.42 2k4r n HIS 44 Cb 0.15 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.09 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 -1.98 1.69 0.00 4.39 4.22 -1.26 -1.72 114.94 120.28 2k4r s ASN 45 Ca 0.08 -0.28 0.00 0.00 -2.14 0.00 0.00 52.86 50.53 2k4r s ASN 45 Cb 0.00 -0.71 0.00 0.00 1.28 0.00 0.00 41.25 41.82 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 3.69 0.00 -1.53 1.54 7.35 -1.26 -4.81 117.46 122.44 2k4r n PHE 46 Ca -0.22 0.00 -0.51 0.00 -0.76 0.00 0.00 57.45 55.96 2k4r n PHE 46 Cb 0.52 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.30 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 -0.40 0.96 -0.30 0.00 1.81 0.31 -4.80 118.95 116.53 2k4r s ARG 48 Ca 0.75 -0.27 -0.02 0.00 -1.72 0.00 0.00 55.73 54.48 2k4r s ARG 48 Cb -0.96 -0.90 0.19 0.00 -0.45 0.00 0.00 34.95 32.83 2k4r s ARG 48 CO 0.54 0.07 0.65 0.45 -0.68 0.00 0.00 175.30 176.33 2k4r s SER 49 N 0.36 -1.28 -0.08 0.23 0.15 -1.26 -1.83 113.70 109.99 2k4r s SER 49 Ca -0.06 0.81 -0.25 0.00 0.70 0.00 0.00 55.95 57.16 2k4r s SER 49 Cb -0.10 2.08 -0.27 0.00 -1.71 0.00 0.00 66.02 66.02 2k4r s SER 49 CO 0.01 -0.24 0.89 1.55 1.20 0.00 0.00 173.24 176.65 2k4r h PRO 50 N 8.00 0.16 0.00 5.44 0.13 -1.94 -3.47 132.00 140.32 2k4r h PRO 50 Ca -0.22 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k4r h PRO 50 Cb 1.16 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k4r h PRO 50 CO 0.22 1.06 0.00 -0.40 -0.23 0.00 0.00 178.00 178.65 2k4r n ASP 51 N -4.42 3.68 0.00 1.44 5.75 -1.26 -4.86 116.55 116.89 2k4r n ASP 51 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 2k4r n ASP 51 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 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 1.73 0.00 6.12 0.00 -1.26 -2.10 105.19 109.68 2k4r n GLY 52 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -1.64 4.61 0.00 -1.26 -5.00 120.51 117.22 2k4r n ALA 53 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2k4r n ALA 53 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 1.32 3.26 0.00 0.00 -0.89 -4.97 105.19 103.91 2k4r n GLY 54 Ca 0.00 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.70 2.61 0.46 1.61 3.52 -1.26 -4.87 118.95 117.33 2k4r s ARG 55 Ca 0.00 -1.17 -0.23 0.00 -0.13 0.00 0.00 55.73 54.19 2k4r s ARG 55 Cb 0.00 -3.39 -0.07 0.00 -1.56 0.00 0.00 34.95 29.92 2k4r s ARG 55 CO 0.00 -0.64 1.21 -1.25 -0.81 0.00 0.00 175.30 173.81 2k4r s PRO 56 N 1.38 3.70 0.08 5.12 0.04 -1.26 -4.73 135.00 139.32 2k4r s PRO 56 Ca -0.02 1.89 -0.08 0.00 0.04 0.00 0.00 61.00 62.83 2k4r s PRO 56 Cb -0.19 -2.44 -0.00 0.00 0.04 0.00 0.00 34.50 31.91 2k4r s PRO 56 CO 0.02 -0.63 0.18 1.67 0.04 0.00 0.00 177.00 178.27 2k4r s TRP 57 N -1.47 0.15 0.21 0.56 1.48 -0.76 0.24 118.94 119.36 2k4r s TRP 57 Ca 0.64 -0.55 0.00 0.00 -1.06 0.00 0.00 56.10 55.12 2k4r s TRP 57 Cb -0.32 -0.07 -0.04 0.00 -1.16 0.00 0.00 33.47 31.88 2k4r s TRP 57 CO 0.39 -0.51 0.10 0.00 -4.06 0.00 0.00 176.95 172.86 2k4r s PHE 59 N -3.95 3.28 0.05 0.00 0.08 -1.26 -0.40 117.98 115.78 2k4r s PHE 59 Ca 0.35 0.62 0.01 0.00 0.12 0.00 0.00 56.93 58.04 2k4r s PHE 59 Cb 0.07 -2.68 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 2k4r s PHE 59 CO 0.10 -0.24 0.10 1.52 -0.10 0.00 0.00 175.22 176.61 2k4r s TYR 60 N 2.15 3.28 -0.16 0.36 -0.85 0.24 0.70 117.35 123.07 2k4r s TYR 60 Ca 0.21 0.15 0.01 0.00 -0.52 0.00 0.00 57.07 56.92 2k4r s TYR 60 Cb -0.16 -1.69 0.01 0.00 0.38 0.00 0.00 41.96 40.51 2k4r s TYR 60 CO 0.09 0.55 -0.19 0.50 -1.52 0.00 0.00 175.55 174.98 2k4r s ARG 61 N -2.19 3.08 -0.10 -3.49 3.52 -0.79 -1.26 118.95 117.72 2k4r s ARG 61 Ca 0.28 -0.81 -0.13 0.00 -0.13 0.00 0.00 55.73 54.94 2k4r s ARG 61 Cb -0.12 -2.55 -0.05 0.00 -1.56 0.00 0.00 34.95 30.67 2k4r s ARG 61 CO 0.20 -0.07 0.32 -0.80 -0.81 0.00 0.00 175.30 174.14 2k4r s ASN 62 N 0.98 6.57 0.00 -2.12 0.01 0.28 -4.63 114.94 116.03 2k4r s ASN 62 Ca -0.03 0.67 0.00 0.00 -0.71 0.00 0.00 52.86 52.80 2k4r s ASN 62 Cb -0.15 -2.19 0.00 0.00 0.41 0.00 0.00 41.25 39.32 2k4r s ASN 62 CO -0.05 0.22 0.47 0.00 -1.51 0.00 0.00 177.10 176.23 2k4r n ALA 63 N 2.75 1.97 0.90 0.60 0.00 -1.26 -0.98 120.51 124.49 2k4r n ALA 63 Ca -0.13 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.41 2k4r n ALA 63 Cb 0.52 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.32 2.03 0.00 0.00 3.00 -1.26 -4.94 117.38 115.88 2k4r n GLN 64 Ca 0.00 -1.80 0.00 0.00 -0.01 0.00 0.00 57.00 55.19 2k4r n GLN 64 Cb 0.03 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 28.85 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 1.23 1.96 3.22 1.08 0.00 -0.15 -5.11 105.19 107.41 2k4r n GLY 65 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.87 1.52 -0.33 1.61 1.02 -0.90 -4.97 119.74 116.82 2k4r s LYS 66 Ca 0.00 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 2k4r s LYS 66 Cb 0.00 -1.53 0.13 0.00 -0.52 0.00 0.00 37.83 35.91 2k4r s LYS 66 CO 0.00 0.41 0.19 0.08 -0.92 0.00 0.00 175.35 175.10 2k4r s VAL 67 N -0.59 0.14 0.26 3.17 1.01 -1.26 0.10 120.40 123.23 2k4r s VAL 67 Ca 0.07 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 60.63 2k4r s VAL 67 Cb -0.08 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2k4r s VAL 67 CO 0.00 -0.90 0.05 -1.81 0.00 0.00 0.00 175.10 172.44 2k4r s ASP 68 N 1.36 1.65 0.12 3.32 1.01 -0.39 -4.08 116.67 119.67 2k4r s ASP 68 Ca 0.15 -1.31 -0.01 0.00 0.71 0.00 0.00 52.55 52.09 2k4r s ASP 68 Cb -0.21 0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.73 2k4r s ASP 68 CO -0.11 -0.62 0.30 -1.66 0.21 0.00 0.00 175.17 173.30 2k4r s TRP 69 N -3.54 3.49 -0.05 4.23 1.48 -1.26 0.82 118.94 124.11 2k4r s TRP 69 Ca 0.33 0.35 -0.17 0.00 -1.06 0.00 0.00 56.10 55.55 2k4r s TRP 69 Cb 0.07 -1.85 0.03 0.00 -1.16 0.00 0.00 33.47 30.57 2k4r s TRP 69 CO 0.12 0.49 0.39 0.20 -4.06 0.00 0.00 176.95 174.09 2k4r s GLY 70 N -2.68 -0.25 0.01 3.67 0.00 0.47 -4.89 107.32 103.65 2k4r s GLY 70 Ca 0.38 0.66 -0.30 0.00 0.00 0.00 0.00 44.72 45.46 2k4r s GLY 70 CO 0.27 0.44 1.04 -0.19 0.00 0.00 0.00 173.10 174.66 2k4r s TYR 71 N -0.95 3.59 -1.16 1.90 2.02 -0.51 -1.61 117.35 120.62 2k4r s TYR 71 Ca -0.10 1.59 -0.10 0.00 -0.37 0.00 0.00 57.07 58.08 2k4r s TYR 71 Cb -0.04 -3.20 -0.07 0.00 -0.40 0.00 0.00 41.96 38.25 2k4r s TYR 71 CO 0.04 -0.36 2.34 0.00 -1.57 0.00 0.00 175.55 176.01 2k4r n ASP 73 N 4.75 0.00 0.00 0.00 2.03 -1.25 -1.87 116.55 120.21 2k4r n ASP 73 Ca 0.56 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.87 2k4r n ASP 73 Cb 0.23 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 -0.73 4.74 1.32 0.00 0.00 -1.26 -4.57 105.19 104.69 2k4r n GLY 75 Ca 0.00 -1.17 0.02 0.00 0.00 0.00 0.00 46.02 44.87 2k4r n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k4r n GLN 76 N -1.06 0.00 0.00 1.61 6.02 -1.26 -5.13 117.38 117.56 2k4r n GLN 76 Ca 0.23 -1.76 0.12 0.00 -0.01 0.00 0.00 57.00 55.58 2k4r n GLN 76 Cb 0.82 -0.01 0.13 0.00 1.02 0.00 0.00 30.24 32.20 2k4r n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46