#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 4.06 1.07 3.59 0.00 0.00 -1.26 -5.08 105.19 107.56 2k4r n GLY 3 Ca 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.58 -2.00 -1.56 4.61 0.00 -1.26 -5.04 121.76 115.94 2k4r s ALA 4 Ca 0.06 1.60 -0.10 0.00 0.00 0.00 0.00 51.96 53.52 2k4r s ALA 4 Cb 0.05 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2k4r s ALA 4 CO 0.01 -0.40 2.75 0.41 0.00 0.00 0.00 175.76 178.52 2k4r n GLY 5 N 0.38 4.40 3.75 0.00 0.00 -1.26 -4.66 105.19 107.79 2k4r n GLY 5 Ca -0.05 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 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 1.95 4.20 0.13 1.61 2.12 -1.25 -4.68 118.70 122.78 2k4r s GLU 6 Ca 0.63 0.26 -0.31 0.00 0.36 0.00 0.00 54.97 55.91 2k4r s GLU 6 Cb 0.17 -3.38 -0.10 0.00 0.26 0.00 0.00 34.13 31.08 2k4r s GLU 6 CO -0.07 0.31 1.73 -1.25 -0.54 0.00 0.00 175.26 175.45 2k4r s PRO 7 N 0.19 4.16 0.21 4.30 0.04 -1.09 -4.55 135.00 138.26 2k4r s PRO 7 Ca 0.21 2.51 0.26 0.00 0.04 0.00 0.00 61.00 64.01 2k4r s PRO 7 Cb -0.14 -3.44 0.76 0.00 0.04 0.00 0.00 34.50 31.71 2k4r s PRO 7 CO 0.08 -0.77 1.73 1.87 0.04 0.00 0.00 177.00 179.95 2k4r n TRP 8 N 5.13 0.92 0.00 0.56 -0.00 -1.26 -5.00 117.44 117.80 2k4r n TRP 8 Ca 0.16 0.27 0.00 0.00 -0.00 0.00 0.00 57.50 57.93 2k4r n TRP 8 Cb 0.38 -0.93 0.00 0.00 -0.00 0.00 0.00 31.31 30.77 2k4r n TRP 8 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2k4r n GLY 9 N 1.31 1.32 1.20 5.87 0.00 -1.26 -4.67 105.19 108.96 2k4r n GLY 9 Ca 0.05 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 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 2.61 -3.70 1.61 4.13 -1.26 -2.01 115.26 116.63 2k4r n ASN 10 Ca 0.00 -3.73 -0.13 0.00 1.68 0.00 0.00 54.58 52.40 2k4r n ASN 10 Cb 0.00 -0.64 -0.09 0.00 -1.54 0.00 0.00 39.78 37.51 2k4r n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k4r s ALA 11 N -3.23 -1.23 -0.96 5.41 0.00 -1.26 0.15 121.76 120.64 2k4r s ALA 11 Ca 0.45 1.43 -0.24 0.00 0.00 0.00 0.00 51.96 53.60 2k4r s ALA 11 Cb 0.41 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2k4r s ALA 11 CO 0.01 -0.24 1.86 0.95 0.00 0.00 0.00 175.76 178.33 2k4r s THR 12 N 0.35 3.55 0.00 0.00 -4.23 0.30 -3.99 115.64 111.62 2k4r s THR 12 Ca -0.01 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 2k4r s THR 12 Cb -0.04 -4.27 0.00 0.00 1.34 0.00 0.00 72.50 69.54 2k4r s THR 12 CO -0.00 -1.15 0.00 -0.46 -0.54 0.00 0.00 174.62 172.47 2k4r n ASN 13 N 13.02 0.00 -0.11 3.99 0.23 -1.26 -0.47 115.26 130.65 2k4r n ASN 13 Ca 0.40 0.00 0.26 0.00 -0.53 0.00 0.00 54.58 54.71 2k4r n ASN 13 Cb 0.48 0.00 0.72 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 -1.88 -3.44 115.31 111.31 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 -1.66 0.37 2.75 3.75 0.00 0.38 -5.14 105.19 105.63 2k4r n GLY 15 Ca 0.16 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 0.45 0.22 1.61 1.01 -1.23 -4.90 120.40 117.56 2k4r s VAL 16 Ca 0.00 -0.27 -0.32 0.00 0.00 0.00 0.00 61.98 61.40 2k4r s VAL 16 Cb 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 36.38 35.45 2k4r s VAL 16 CO 0.00 -0.02 1.68 -2.84 0.00 0.00 0.00 175.10 173.92 2k4r s PRO 17 N 1.91 4.14 0.42 2.72 0.02 -1.26 -0.54 135.00 142.41 2k4r s PRO 17 Ca 0.02 2.57 -0.23 0.00 0.02 0.00 0.00 61.00 63.38 2k4r s PRO 17 Cb -0.15 -3.07 -0.09 0.00 0.02 0.00 0.00 34.50 31.20 2k4r s PRO 17 CO -0.07 -0.71 1.02 0.00 -0.33 0.00 0.00 177.00 176.91 2k4r s LEU 19 N -2.91 3.81 0.21 0.00 2.96 0.20 -4.71 118.68 118.24 2k4r s LEU 19 Ca 0.60 -0.18 -0.30 0.00 -0.22 0.00 0.00 54.13 54.03 2k4r s LEU 19 Cb -0.18 -2.78 -0.08 0.00 0.50 0.00 0.00 46.19 43.65 2k4r s LEU 19 CO 0.23 -0.59 1.05 -1.00 -1.32 0.00 0.00 176.35 174.72 2k4r s HIS 20 N -2.30 3.69 0.48 5.38 3.76 -1.26 -4.43 115.29 120.61 2k4r s HIS 20 Ca 0.49 1.71 0.27 0.00 -0.15 0.00 0.00 55.06 57.37 2k4r s HIS 20 Cb -0.10 -3.20 1.53 0.00 1.11 0.00 0.00 32.58 31.93 2k4r s HIS 20 CO 0.33 -0.30 2.13 -1.49 -0.85 0.00 0.00 174.74 174.55 2k4r h TRP 21 N 4.63 0.00 -0.00 1.40 4.06 -1.27 0.13 115.95 124.91 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 0.08 -0.17 -3.47 -3.56 0.00 0.00 178.44 171.94 2k4r n ASP 22 N -3.79 0.47 -1.26 -3.49 2.03 -0.53 -3.37 116.55 106.61 2k4r n ASP 22 Ca -0.02 -0.41 0.12 0.00 0.52 0.00 0.00 54.79 54.99 2k4r n ASP 22 Cb 0.18 -0.06 0.28 0.00 -0.72 0.00 0.00 41.12 40.80 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 -1.08 2.65 -2.93 -0.67 1.02 0.46 -4.90 120.64 115.19 2k4r n GLU 23 Ca 0.12 -2.51 -0.42 0.00 -0.02 0.00 0.00 57.16 54.33 2k4r n GLU 23 Cb 0.30 -1.54 -0.05 0.00 -0.02 0.00 0.00 31.44 30.13 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 -1.16 4.74 0.48 2.62 1.01 -1.21 -4.95 120.40 121.92 2k4r s VAL 24 Ca 0.44 1.05 -0.23 0.00 0.00 0.00 0.00 61.98 63.25 2k4r s VAL 24 Cb 0.24 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 2k4r s VAL 24 CO 0.32 -0.37 1.21 -2.16 0.00 0.00 0.00 175.10 174.10 2k4r s PRO 25 N 3.10 3.62 0.59 2.72 0.04 -1.26 -4.92 135.00 138.89 2k4r s PRO 25 Ca 0.33 1.89 0.33 0.00 0.04 0.00 0.00 61.00 63.59 2k4r s PRO 25 Cb -0.13 -2.38 1.88 0.00 0.04 0.00 0.00 34.50 33.91 2k4r s PRO 25 CO 0.15 -0.70 2.24 -1.00 0.04 0.00 0.00 177.00 177.74 2k4r h PRO 26 N 1.93 0.00 -3.96 0.56 0.13 -2.00 -3.27 132.00 125.38 2k4r h PRO 26 Ca -0.50 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.92 2k4r h PRO 26 Cb 1.26 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.07 2k4r h PRO 26 CO 0.60 0.02 -0.33 -0.06 -0.23 0.00 0.00 178.00 178.00 2k4r s PHE 27 N -4.41 3.49 0.10 1.56 0.08 -1.26 -5.07 117.98 112.47 2k4r s PHE 27 Ca -0.04 -2.33 0.03 0.00 0.12 0.00 0.00 56.93 54.70 2k4r s PHE 27 Cb 0.14 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.17 2k4r s PHE 27 CO 0.52 -0.93 0.15 -1.17 -0.10 0.00 0.00 175.22 173.70 2k4r s LEU 28 N 0.55 4.02 0.03 -0.37 2.96 -1.24 -5.03 118.68 119.60 2k4r s LEU 28 Ca 0.13 0.06 -0.21 0.00 -0.22 0.00 0.00 54.13 53.89 2k4r s LEU 28 Cb -0.21 -2.65 -0.15 0.00 0.50 0.00 0.00 46.19 43.68 2k4r s LEU 28 CO -0.04 0.14 1.34 -0.33 -1.32 0.00 0.00 176.35 176.14 2k4r h GLU 29 N 2.91 0.28 -6.40 1.98 5.08 -1.93 -3.42 114.58 113.07 2k4r h GLU 29 Ca -0.47 -0.14 -0.55 0.00 -1.00 0.00 0.00 59.36 57.21 2k4r h GLU 29 Cb 1.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 2k4r h GLU 29 CO 0.68 0.66 0.03 1.03 -1.00 0.00 0.00 179.01 180.42 2k4r s ARG 30 N -4.37 4.23 -0.21 2.33 1.81 -1.26 -5.06 118.95 116.43 2k4r s ARG 30 Ca -0.14 0.80 -0.17 0.00 -1.72 0.00 0.00 55.73 54.50 2k4r s ARG 30 Cb 0.05 -3.07 -0.04 0.00 -0.45 0.00 0.00 34.95 31.44 2k4r s ARG 30 CO 0.73 0.52 0.44 0.45 -0.68 0.00 0.00 175.30 176.77 2k4r s SER 31 N -1.40 6.46 0.38 0.23 0.15 -1.26 -4.89 113.70 113.37 2k4r s SER 31 Ca 0.36 0.55 -0.25 0.00 0.70 0.00 0.00 55.95 57.31 2k4r s SER 31 Cb -0.18 -2.25 -0.09 0.00 -1.71 0.00 0.00 66.02 61.79 2k4r s SER 31 CO 0.21 -0.13 1.08 -2.16 1.20 0.00 0.00 173.24 173.44 2k4r s PRO 32 N 1.55 4.22 0.57 5.44 0.04 -1.26 -4.95 135.00 140.61 2k4r s PRO 32 Ca 0.20 1.63 0.33 0.00 0.04 0.00 0.00 61.00 63.21 2k4r s PRO 32 Cb -0.15 -2.69 1.67 0.00 0.04 0.00 0.00 34.50 33.37 2k4r s PRO 32 CO 0.09 -0.12 2.13 -1.35 0.04 0.00 0.00 177.00 177.79 2k4r h PRO 33 N 2.76 0.00 -3.19 0.56 0.11 -2.04 -3.45 132.00 126.75 2k4r h PRO 33 Ca -0.48 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.65 2k4r h PRO 33 Cb 1.22 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 2k4r h PRO 33 CO 0.63 0.06 0.14 0.00 -0.21 0.00 0.00 178.00 178.62 2k4r s ALA 34 N -4.06 -0.89 -0.14 -0.75 0.00 -1.26 -5.12 121.76 109.55 2k4r s ALA 34 Ca -0.02 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.12 2k4r s ALA 34 Cb 0.12 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 24.10 2k4r s ALA 34 CO 0.53 -0.98 1.59 0.45 0.00 0.00 0.00 175.76 177.35 2k4r s SER 35 N -2.97 6.57 -0.10 0.00 0.15 -1.26 -4.87 113.70 111.22 2k4r s SER 35 Ca 0.15 1.89 0.16 0.00 0.70 0.00 0.00 55.95 58.85 2k4r s SER 35 Cb -0.04 -2.53 0.64 0.00 -1.71 0.00 0.00 66.02 62.38 2k4r s SER 35 CO 0.08 -1.06 1.53 -2.67 1.20 0.00 0.00 173.24 172.33 2k4r n TRP 36 N 7.67 1.34 0.30 3.44 4.27 -1.26 -4.19 117.44 129.01 2k4r n TRP 36 Ca 0.18 -0.53 0.16 0.00 -3.89 0.00 0.00 57.50 53.42 2k4r n TRP 36 Cb 0.44 -0.23 0.93 0.00 -1.36 0.00 0.00 31.31 31.09 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 3.98 1.32 -0.00 -1.67 0.00 -2.02 -0.78 119.26 120.08 2k4r h ALA 37 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k4r h ALA 37 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2k4r h ALA 37 CO 0.21 0.04 -0.13 0.39 0.00 0.00 0.00 179.25 179.77 2k4r n GLU 38 N -3.58 0.42 0.16 0.00 1.02 -1.26 -3.03 120.64 114.36 2k4r n GLU 38 Ca -0.03 -0.12 0.01 0.00 -0.02 0.00 0.00 57.16 57.00 2k4r n GLU 38 Cb 0.13 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.30 0.03 -1.21 -4.62 3.38 -1.45 -3.47 115.31 108.27 2k4r h LEU 39 Ca 0.00 -0.01 -0.59 0.00 0.09 0.00 0.00 57.88 57.36 2k4r h LEU 39 Cb 0.40 -0.01 -0.30 0.00 0.09 0.00 0.00 40.66 40.84 2k4r h LEU 39 CO 0.00 0.49 -0.88 -2.11 0.09 0.00 0.00 178.44 176.03 2k4r n ARG 40 N -3.98 -1.81 -1.04 1.13 1.85 -1.17 -4.81 116.66 106.82 2k4r n ARG 40 Ca -0.02 0.24 -0.14 0.00 -1.00 0.00 0.00 57.85 56.93 2k4r n ARG 40 Cb 0.49 -4.83 0.18 0.00 -1.05 0.00 0.00 32.46 27.25 2k4r n ARG 40 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k4r n GLY 41 N -1.28 4.86 0.43 2.89 0.00 -1.26 -4.87 105.19 105.96 2k4r n GLY 41 Ca 0.08 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 1.09 -0.29 0.00 1.61 1.08 -1.88 -0.88 115.11 115.84 2k4r h GLN 42 Ca 0.41 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.62 2k4r h GLN 42 Cb 2.07 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 29.57 2k4r h GLN 42 CO 0.74 -0.19 -0.01 -1.00 -0.95 0.00 0.00 178.83 177.41 2k4r h PRO 43 N -0.30 0.00 0.00 1.46 0.13 -1.95 -1.38 132.00 129.96 2k4r h PRO 43 Ca 0.12 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.94 2k4r h PRO 43 Cb 0.57 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.64 2k4r h PRO 43 CO -0.66 0.01 -0.22 -2.39 -0.23 0.00 0.00 178.00 174.51 2k4r n HIS 44 N -3.28 0.54 -3.03 1.56 1.44 -0.33 -4.91 115.22 107.21 2k4r n HIS 44 Ca -0.02 -1.17 -0.19 0.00 -2.01 0.00 0.00 57.72 54.33 2k4r n HIS 44 Cb 0.13 -0.15 -0.02 0.00 0.12 0.00 0.00 29.99 30.06 2k4r n HIS 44 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2k4r n ASN 45 N -1.16 1.80 -4.39 4.39 6.94 -1.26 -1.87 115.26 119.71 2k4r n ASN 45 Ca -0.10 -3.13 -0.30 0.00 -0.02 0.00 0.00 54.58 51.03 2k4r n ASN 45 Cb 0.30 -0.59 -0.14 0.00 -2.36 0.00 0.00 39.78 36.99 2k4r n ASN 45 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2k4r s PHE 46 N -2.79 2.41 0.19 -2.53 2.19 -1.26 -4.49 117.98 111.71 2k4r s PHE 46 Ca 0.40 -0.35 -0.32 0.00 0.33 0.00 0.00 56.93 56.99 2k4r s PHE 46 Cb 0.36 -1.41 -0.16 0.00 -1.31 0.00 0.00 43.02 40.50 2k4r s PHE 46 CO -0.08 0.19 1.07 0.00 1.83 0.00 0.00 175.22 178.23 2k4r s ARG 48 N -0.66 1.55 -0.37 0.00 1.81 -0.22 -4.84 118.95 116.23 2k4r s ARG 48 Ca 0.70 -0.51 0.05 0.00 -1.72 0.00 0.00 55.73 54.25 2k4r s ARG 48 Cb -0.84 -1.36 0.19 0.00 -0.45 0.00 0.00 34.95 32.48 2k4r s ARG 48 CO 0.54 0.20 0.67 -1.54 -0.68 0.00 0.00 175.30 174.49 2k4r s SER 49 N 0.11 -1.42 -0.02 0.23 1.04 -1.26 -2.13 113.70 110.25 2k4r s SER 49 Ca -0.04 -0.46 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 2k4r s SER 49 Cb -0.11 1.83 -0.20 0.00 0.10 0.00 0.00 66.02 67.64 2k4r s SER 49 CO 0.02 -0.19 1.23 -0.65 0.98 0.00 0.00 173.24 174.63 2k4r h PRO 50 N 7.12 0.09 0.00 4.02 0.11 -1.95 -3.47 132.00 137.93 2k4r h PRO 50 Ca 0.02 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2k4r h PRO 50 Cb 1.19 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k4r h PRO 50 CO 0.09 0.62 0.00 -3.47 -0.21 0.00 0.00 178.00 175.03 2k4r n ASP 51 N -4.74 0.00 0.00 -2.05 2.03 -1.26 -4.99 116.55 105.54 2k4r n ASP 51 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2k4r n ASP 51 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 2k4r n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4r n GLY 52 N 0.00 2.22 0.00 0.27 0.00 -1.26 -4.41 105.19 102.01 2k4r n GLY 52 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 1.11 -1.28 4.61 0.00 -1.26 -4.99 120.51 118.70 2k4r n ALA 53 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 2k4r n ALA 53 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.09 1.09 2.78 0.00 0.00 -1.26 -4.99 105.19 102.72 2k4r n GLY 54 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.68 -0.04 0.41 1.61 3.52 -1.26 -5.11 118.95 115.40 2k4r s ARG 55 Ca 0.00 0.19 -0.24 0.00 -0.13 0.00 0.00 55.73 55.54 2k4r s ARG 55 Cb 0.00 -0.24 -0.08 0.00 -1.56 0.00 0.00 34.95 33.07 2k4r s ARG 55 CO 0.00 -0.16 1.14 -2.14 -0.81 0.00 0.00 175.30 173.33 2k4r s PRO 56 N 1.04 4.02 0.09 5.12 0.02 -1.26 -4.78 135.00 139.24 2k4r s PRO 56 Ca -0.09 1.75 -0.10 0.00 0.02 0.00 0.00 61.00 62.59 2k4r s PRO 56 Cb -0.12 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.81 2k4r s PRO 56 CO -0.03 -0.33 0.22 1.67 -0.33 0.00 0.00 177.00 178.21 2k4r s TRP 57 N -1.49 0.09 0.17 6.54 1.48 -0.91 -0.49 118.94 124.33 2k4r s TRP 57 Ca 0.59 -0.48 -0.00 0.00 -1.06 0.00 0.00 56.10 55.14 2k4r s TRP 57 Cb -0.28 -0.01 -0.04 0.00 -1.16 0.00 0.00 33.47 31.98 2k4r s TRP 57 CO 0.35 -0.56 0.06 0.00 -4.06 0.00 0.00 176.95 172.75 2k4r s PHE 59 N -3.95 3.28 0.29 0.00 0.08 -1.26 -0.29 117.98 116.13 2k4r s PHE 59 Ca 0.29 0.62 0.09 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 0.06 -0.24 0.05 1.52 -0.10 0.00 0.00 175.22 176.51 2k4r s TYR 60 N 2.13 2.72 -0.17 0.36 -0.85 0.22 0.60 117.35 122.36 2k4r s TYR 60 Ca 0.20 -0.27 -0.19 0.00 -0.52 0.00 0.00 57.07 56.29 2k4r s TYR 60 Cb -0.16 -1.35 -0.03 0.00 0.38 0.00 0.00 41.96 40.80 2k4r s TYR 60 CO 0.09 0.53 0.52 0.50 -1.52 0.00 0.00 175.55 175.67 2k4r s ARG 61 N -3.74 4.25 0.32 -3.49 3.52 -0.86 -2.00 118.95 116.95 2k4r s ARG 61 Ca 0.33 0.46 -0.16 0.00 -0.13 0.00 0.00 55.73 56.23 2k4r s ARG 61 Cb -0.05 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.73 2k4r s ARG 61 CO 0.21 -0.05 0.75 -0.80 -0.81 0.00 0.00 175.30 174.61 2k4r s ASN 62 N 0.97 6.84 0.00 -2.12 -0.87 -0.02 -4.68 114.94 115.06 2k4r s ASN 62 Ca 0.26 1.34 0.00 0.00 -1.57 0.00 0.00 52.86 52.89 2k4r s ASN 62 Cb -0.15 -2.40 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 2k4r s ASN 62 CO 0.10 -0.18 0.65 0.00 -2.57 0.00 0.00 177.10 175.11 2k4r n ALA 63 N -0.21 2.25 -0.00 0.60 0.00 -1.26 -1.54 120.51 120.34 2k4r n ALA 63 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2k4r n ALA 63 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.44 5.59 -0.05 0.00 6.02 -1.26 -4.98 117.38 123.13 2k4r n GLN 64 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2k4r n GLN 64 Cb 0.33 -0.40 0.00 0.00 1.02 0.00 0.00 30.24 31.19 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 0.80 0.97 3.96 1.08 0.00 -0.59 -5.10 105.19 106.31 2k4r n GLY 65 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.58 3.19 -0.27 1.61 1.02 -1.24 -4.91 119.74 118.56 2k4r s LYS 66 Ca 0.00 -0.58 0.01 0.00 0.02 0.00 0.00 55.97 55.42 2k4r s LYS 66 Cb 0.00 -2.65 0.08 0.00 -0.52 0.00 0.00 37.83 34.73 2k4r s LYS 66 CO 0.00 -0.07 0.01 0.08 -0.92 0.00 0.00 175.35 174.45 2k4r s VAL 67 N -2.39 1.42 0.30 3.17 1.01 -1.26 -0.84 120.40 121.80 2k4r s VAL 67 Ca 0.45 -1.40 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2k4r s VAL 67 Cb -0.10 -1.86 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 2k4r s VAL 67 CO 0.36 -0.34 0.06 -1.81 0.00 0.00 0.00 175.10 173.38 2k4r s ASP 68 N 1.40 1.97 0.13 3.32 1.01 -0.85 -3.97 116.67 119.69 2k4r s ASP 68 Ca 0.01 -1.37 0.05 0.00 0.71 0.00 0.00 52.55 51.95 2k4r s ASP 68 Cb -0.18 -0.00 -0.04 0.00 1.01 0.00 0.00 42.92 43.71 2k4r s ASP 68 CO -0.11 -0.64 0.09 -1.66 0.21 0.00 0.00 175.17 173.06 2k4r s TRP 69 N -3.45 3.10 -0.02 4.23 1.48 -1.26 0.73 118.94 123.76 2k4r s TRP 69 Ca 0.36 -0.00 -0.09 0.00 -1.06 0.00 0.00 56.10 55.30 2k4r s TRP 69 Cb 0.08 -1.53 0.01 0.00 -1.16 0.00 0.00 33.47 30.87 2k4r s TRP 69 CO 0.14 0.51 0.20 0.20 -4.06 0.00 0.00 176.95 173.95 2k4r s GLY 70 N -2.77 -0.05 -0.03 3.67 0.00 0.60 -4.89 107.32 103.85 2k4r s GLY 70 Ca 0.29 0.15 -0.30 0.00 0.00 0.00 0.00 44.72 44.86 2k4r s GLY 70 CO 0.22 0.00 1.36 -0.19 0.00 0.00 0.00 173.10 174.49 2k4r s TYR 71 N -1.06 2.88 -0.57 1.90 2.02 -1.26 -2.01 117.35 119.24 2k4r s TYR 71 Ca -0.11 0.88 -0.06 0.00 -0.37 0.00 0.00 57.07 57.41 2k4r s TYR 71 Cb -0.06 -3.61 -0.07 0.00 -0.40 0.00 0.00 41.96 37.82 2k4r s TYR 71 CO 0.02 -2.23 3.06 0.00 -1.57 0.00 0.00 175.55 174.84 2k4r n ASP 73 N 1.97 0.00 -0.29 0.00 -0.08 -1.26 -2.67 116.55 114.22 2k4r n ASP 73 Ca 0.53 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.81 2k4r n ASP 73 Cb 0.60 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.07 2k4r n ASP 73 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k4r s GLY 75 N -0.79 -0.36 0.17 0.00 0.00 -1.26 -4.78 107.32 100.30 2k4r s GLY 75 Ca 0.02 2.76 0.13 0.00 0.00 0.00 0.00 44.72 47.63 2k4r s GLY 75 CO 0.00 3.75 1.22 1.46 0.00 0.00 0.00 173.10 179.53 2k4r h GLN 76 N 7.96 0.00 0.00 2.90 7.50 -1.93 -3.44 115.11 128.09 2k4r h GLN 76 Ca -0.14 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.01 2k4r h GLN 76 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.70 2k4r h GLN 76 CO -0.07 0.60 0.00 0.41 -1.50 0.00 0.00 178.83 178.27