#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 1.25 -0.52 3.57 0.00 0.00 -1.26 -5.07 105.19 103.15 2k4r n GLY 3 Ca -0.09 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.00 2.92 0.00 4.61 0.00 -1.26 -4.12 121.76 122.91 2k4r s ALA 4 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2k4r s ALA 4 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 19.01 2k4r s ALA 4 CO 0.00 -2.88 0.00 0.41 0.00 0.00 0.00 175.76 173.29 2k4r n GLY 5 N 5.18 0.18 0.08 0.00 0.00 -1.26 -5.08 105.19 104.28 2k4r n GLY 5 Ca 0.06 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2k4r n GLY 5 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k4r h GLU 6 N 0.00 0.00 -6.17 1.61 3.07 -1.74 -3.41 114.58 107.93 2k4r h GLU 6 Ca 0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.33 2k4r h GLU 6 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 2k4r h GLU 6 CO 0.00 0.89 1.25 -2.14 -1.40 0.00 0.00 179.01 177.61 2k4r s PRO 7 N -2.20 2.97 0.37 2.33 0.02 -1.17 -3.69 135.00 133.63 2k4r s PRO 7 Ca -0.20 0.64 0.24 0.00 0.02 0.00 0.00 61.00 61.71 2k4r s PRO 7 Cb -0.01 -4.27 0.51 0.00 0.02 0.00 0.00 34.50 30.76 2k4r s PRO 7 CO 0.60 -2.32 1.67 2.35 -0.33 0.00 0.00 177.00 178.97 2k4r h TRP 8 N 13.17 0.00 0.00 6.54 7.01 -1.80 -3.49 115.95 137.38 2k4r h TRP 8 Ca -0.28 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.72 2k4r h TRP 8 Cb 1.14 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.20 2k4r h TRP 8 CO 1.03 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 177.09 2k4r n GLY 9 N 1.12 2.10 1.82 2.65 0.00 -1.26 -4.62 105.19 106.99 2k4r n GLY 9 Ca 0.04 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 0.24 4.61 -3.68 1.61 5.03 -1.26 -2.09 115.26 119.71 2k4r n ASN 10 Ca 0.00 -3.76 -0.10 0.00 0.87 0.00 0.00 54.58 51.59 2k4r n ASN 10 Cb 0.00 -0.68 -0.10 0.00 -1.02 0.00 0.00 39.78 37.98 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 -3.50 -1.23 -0.42 5.41 0.00 -1.25 0.00 121.76 120.77 2k4r s ALA 11 Ca 0.53 1.70 -0.28 0.00 0.00 0.00 0.00 51.96 53.91 2k4r s ALA 11 Cb 0.44 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 2k4r s ALA 11 CO 0.02 -0.29 1.67 0.95 0.00 0.00 0.00 175.76 178.11 2k4r s THR 12 N 1.37 3.60 0.00 0.00 -4.23 0.37 -3.47 115.64 113.27 2k4r s THR 12 Ca -0.09 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 2k4r s THR 12 Cb -0.07 -3.92 0.00 0.00 1.34 0.00 0.00 72.50 69.85 2k4r s THR 12 CO -0.13 -0.66 0.00 -0.46 -0.54 0.00 0.00 174.62 172.83 2k4r n ASN 13 N 10.26 0.00 0.32 3.99 0.23 -1.24 -0.37 115.26 128.44 2k4r n ASN 13 Ca 0.20 0.00 0.20 0.00 -0.53 0.00 0.00 54.58 54.44 2k4r n ASN 13 Cb 0.48 0.00 1.07 0.00 -2.08 0.00 0.00 39.78 39.26 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 -1.85 -3.45 115.31 111.33 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 0.01 0.00 0.61 -0.34 0.00 0.00 178.44 178.72 2k4r n GLY 15 N -1.09 0.59 2.81 3.75 0.00 0.50 -5.14 105.19 106.60 2k4r n GLY 15 Ca -0.03 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 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 0.71 0.18 1.61 1.01 -1.18 -4.85 120.40 117.88 2k4r s VAL 16 Ca 0.00 -0.38 -0.33 0.00 0.00 0.00 0.00 61.98 61.26 2k4r s VAL 16 Cb 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 36.38 35.25 2k4r s VAL 16 CO 0.00 0.06 1.43 -0.81 0.00 0.00 0.00 175.10 175.78 2k4r n PRO 17 N 5.01 1.83 -2.86 2.72 -0.04 -1.24 -0.48 135.00 139.94 2k4r n PRO 17 Ca -0.10 0.66 -0.40 0.00 -0.04 0.00 0.00 63.50 63.62 2k4r n PRO 17 Cb 0.48 -2.33 -0.05 0.00 -0.04 0.00 0.00 33.50 31.55 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 -0.69 3.56 0.20 0.00 2.96 0.29 -4.69 118.68 120.30 2k4r s LEU 19 Ca 0.40 1.30 -0.30 0.00 -0.22 0.00 0.00 54.13 55.32 2k4r s LEU 19 Cb -0.23 -4.27 -0.08 0.00 0.50 0.00 0.00 46.19 42.11 2k4r s LEU 19 CO 0.28 -0.62 1.04 -1.00 -1.32 0.00 0.00 176.35 174.72 2k4r s HIS 20 N -2.75 3.72 0.48 5.38 3.76 -1.26 -4.49 115.29 120.13 2k4r s HIS 20 Ca 0.54 1.73 0.15 0.00 -0.15 0.00 0.00 55.06 57.32 2k4r s HIS 20 Cb -0.10 -3.17 1.14 0.00 1.11 0.00 0.00 32.58 31.55 2k4r s HIS 20 CO 0.40 -0.20 2.08 -1.49 -0.85 0.00 0.00 174.74 174.68 2k4r h TRP 21 N 4.75 0.02 -0.00 1.40 4.06 -1.33 0.24 115.95 125.09 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 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2k4r h TRP 21 CO 0.62 0.09 -0.17 -3.47 -3.56 0.00 0.00 178.44 171.95 2k4r n ASP 22 N -4.44 0.38 -1.25 -3.49 2.03 -0.72 -3.53 116.55 105.53 2k4r n ASP 22 Ca -0.03 -0.27 0.10 0.00 0.52 0.00 0.00 54.79 55.12 2k4r n ASP 22 Cb 0.16 -0.10 0.30 0.00 -0.72 0.00 0.00 41.12 40.76 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 -1.19 3.05 -2.48 -0.67 -0.58 0.84 -4.92 120.64 114.70 2k4r n GLU 23 Ca 0.11 -2.61 -0.43 0.00 -0.42 0.00 0.00 57.16 53.81 2k4r n GLU 23 Cb 0.31 -1.61 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 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 -1.31 4.19 0.55 2.62 1.01 -1.15 -4.87 120.40 121.44 2k4r s VAL 24 Ca 0.44 1.33 -0.18 0.00 0.00 0.00 0.00 61.98 63.57 2k4r s VAL 24 Cb 0.25 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2k4r s VAL 24 CO 0.26 -0.57 1.06 -2.16 0.00 0.00 0.00 175.10 173.69 2k4r s PRO 25 N 4.18 3.48 0.58 2.72 0.04 -1.26 -4.94 135.00 139.80 2k4r s PRO 25 Ca 0.54 1.29 0.34 0.00 0.04 0.00 0.00 61.00 63.21 2k4r s PRO 25 Cb -0.14 -2.05 1.82 0.00 0.04 0.00 0.00 34.50 34.16 2k4r s PRO 25 CO 0.24 -0.69 2.19 -1.00 0.04 0.00 0.00 177.00 177.77 2k4r h PRO 26 N 0.88 0.00 -3.84 0.56 0.13 -2.02 -3.28 132.00 124.43 2k4r h PRO 26 Ca -0.48 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.86 2k4r h PRO 26 Cb 1.22 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.09 2k4r h PRO 26 CO 0.58 0.04 0.32 -0.06 -0.23 0.00 0.00 178.00 178.65 2k4r s PHE 27 N -4.20 3.91 -0.12 1.56 0.08 -1.26 -5.02 117.98 112.93 2k4r s PHE 27 Ca -0.03 -2.22 -0.06 0.00 0.12 0.00 0.00 56.93 54.73 2k4r s PHE 27 Cb 0.13 -3.87 -0.04 0.00 -0.57 0.00 0.00 43.02 38.67 2k4r s PHE 27 CO 0.52 -1.02 0.12 -1.17 -0.10 0.00 0.00 175.22 173.57 2k4r s LEU 28 N -0.17 4.26 0.10 -0.37 2.96 -1.24 -5.01 118.68 119.20 2k4r s LEU 28 Ca 0.24 0.41 -0.15 0.00 -0.22 0.00 0.00 54.13 54.41 2k4r s LEU 28 Cb -0.09 -2.03 -0.08 0.00 0.50 0.00 0.00 46.19 44.49 2k4r s LEU 28 CO -0.08 0.40 1.44 -0.33 -1.32 0.00 0.00 176.35 176.46 2k4r h GLU 29 N 5.06 0.67 -6.29 1.98 5.08 -1.92 -3.43 114.58 115.72 2k4r h GLU 29 Ca -0.54 -0.33 -0.67 0.00 -1.00 0.00 0.00 59.36 56.83 2k4r h GLU 29 Cb 1.22 -0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.32 2k4r h GLU 29 CO 0.58 0.93 -0.68 1.03 -1.00 0.00 0.00 179.01 179.86 2k4r s ARG 30 N -4.48 2.57 -0.05 2.33 1.81 -1.26 -5.07 118.95 114.80 2k4r s ARG 30 Ca -0.13 -0.75 -0.20 0.00 -1.72 0.00 0.00 55.73 52.93 2k4r s ARG 30 Cb 0.09 -2.53 -0.05 0.00 -0.45 0.00 0.00 34.95 32.00 2k4r s ARG 30 CO 0.82 0.58 0.57 0.45 -0.68 0.00 0.00 175.30 177.04 2k4r s SER 31 N -1.74 6.89 0.53 0.23 0.15 -1.26 -4.86 113.70 113.65 2k4r s SER 31 Ca 0.20 1.06 -0.18 0.00 0.70 0.00 0.00 55.95 57.73 2k4r s SER 31 Cb -0.11 -2.35 -0.06 0.00 -1.71 0.00 0.00 66.02 61.79 2k4r s SER 31 CO 0.11 0.05 1.05 -2.16 1.20 0.00 0.00 173.24 173.49 2k4r s PRO 32 N 0.16 3.58 0.45 5.44 0.04 -1.26 -4.97 135.00 138.43 2k4r s PRO 32 Ca 0.30 1.31 0.25 0.00 0.04 0.00 0.00 61.00 62.90 2k4r s PRO 32 Cb -0.17 -2.06 0.83 0.00 0.04 0.00 0.00 34.50 33.13 2k4r s PRO 32 CO 0.15 -0.61 1.78 -1.35 0.04 0.00 0.00 177.00 177.01 2k4r h PRO 33 N 1.07 0.00 -3.77 0.56 0.11 -2.03 -3.47 132.00 124.46 2k4r h PRO 33 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 2k4r h PRO 33 Cb 1.22 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.24 2k4r h PRO 33 CO 0.58 0.16 -0.17 0.00 -0.21 0.00 0.00 178.00 178.36 2k4r s ALA 34 N -3.49 -0.02 -0.23 -0.75 0.00 -1.26 -5.13 121.76 110.87 2k4r s ALA 34 Ca 0.02 -1.01 -0.27 0.00 0.00 0.00 0.00 51.96 50.69 2k4r s ALA 34 Cb 0.09 1.10 0.00 0.00 0.00 0.00 0.00 23.12 24.31 2k4r s ALA 34 CO 0.63 -0.83 0.96 0.45 0.00 0.00 0.00 175.76 176.98 2k4r s SER 35 N -3.05 7.00 -0.05 0.00 0.15 -1.26 -4.92 113.70 111.56 2k4r s SER 35 Ca 0.25 1.25 0.14 0.00 0.70 0.00 0.00 55.95 58.29 2k4r s SER 35 Cb 0.00 -2.50 0.45 0.00 -1.71 0.00 0.00 66.02 62.26 2k4r s SER 35 CO 0.10 -0.61 1.37 -2.67 1.20 0.00 0.00 173.24 172.64 2k4r n TRP 36 N 6.20 0.77 -0.22 3.44 4.27 -1.26 -4.55 117.44 126.09 2k4r n TRP 36 Ca 0.10 -0.59 0.06 0.00 -3.89 0.00 0.00 57.50 53.17 2k4r n TRP 36 Cb 0.47 -0.12 0.32 0.00 -1.36 0.00 0.00 31.31 30.62 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 2.51 1.66 -0.10 -1.67 0.00 -2.01 -0.46 119.26 119.19 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 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2k4r h ALA 37 CO 0.08 0.22 0.00 -1.91 0.00 0.00 0.00 179.25 177.64 2k4r n GLU 38 N -4.48 1.45 0.21 0.00 2.13 -1.26 -3.03 120.64 115.66 2k4r n GLU 38 Ca 0.12 -0.67 0.05 0.00 0.66 0.00 0.00 57.16 57.31 2k4r n GLU 38 Cb 0.23 -1.35 0.47 0.00 0.27 0.00 0.00 31.44 31.06 2k4r n GLU 38 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2k4r h LEU 39 N 1.36 0.00 0.96 4.31 3.38 -1.39 -3.46 115.31 120.47 2k4r h LEU 39 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 2k4r h LEU 39 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2k4r h LEU 39 CO 0.00 0.26 -0.58 -1.14 0.09 0.00 0.00 178.44 177.07 2k4r n ARG 40 N -4.12 -4.19 -0.96 1.13 3.00 -1.17 -4.83 116.66 105.52 2k4r n ARG 40 Ca -0.02 0.75 -0.09 0.00 -0.00 0.00 0.00 57.85 58.49 2k4r n ARG 40 Cb 0.32 -5.54 0.23 0.00 0.00 0.00 0.00 32.46 27.46 2k4r n ARG 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k4r n GLY 41 N -1.36 4.33 0.35 5.14 0.00 -1.26 -4.81 105.19 107.58 2k4r n GLY 41 Ca -0.08 -1.10 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 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 1.57 -0.25 -0.01 1.61 1.08 -1.88 -0.51 115.11 116.72 2k4r h GLN 42 Ca 0.34 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.56 2k4r h GLN 42 Cb 2.20 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 29.69 2k4r h GLN 42 CO 0.69 -0.17 0.01 -1.00 -0.95 0.00 0.00 178.83 177.41 2k4r h PRO 43 N -0.26 0.00 0.00 1.46 0.13 -1.96 -1.92 132.00 129.45 2k4r h PRO 43 Ca 0.17 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 2k4r h PRO 43 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2k4r h PRO 43 CO -0.55 0.00 -0.05 -2.39 -0.23 0.00 0.00 178.00 174.78 2k4r n HIS 44 N -3.45 0.06 -2.68 1.56 1.44 -0.20 -4.94 115.22 107.01 2k4r n HIS 44 Ca -0.03 -0.27 -0.14 0.00 -2.01 0.00 0.00 57.72 55.28 2k4r n HIS 44 Cb 0.09 -0.02 0.02 0.00 0.12 0.00 0.00 29.99 30.20 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 -1.58 2.08 -4.60 4.39 6.94 -1.26 -1.54 115.26 119.70 2k4r n ASN 45 Ca -0.01 -2.95 -0.34 0.00 -0.02 0.00 0.00 54.58 51.25 2k4r n ASN 45 Cb 0.06 -0.53 -0.11 0.00 -2.36 0.00 0.00 39.78 36.85 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 -3.15 2.97 0.06 -2.53 5.36 -1.26 -4.39 117.98 115.04 2k4r s PHE 46 Ca 0.33 0.05 -0.33 0.00 -0.96 0.00 0.00 56.93 56.01 2k4r s PHE 46 Cb 0.43 -1.72 -0.17 0.00 -0.34 0.00 0.00 43.02 41.22 2k4r s PHE 46 CO -0.02 0.35 0.81 0.00 -1.46 0.00 0.00 175.22 174.91 2k4r s ARG 48 N -0.30 1.30 -0.64 0.00 1.81 -0.59 -4.87 118.95 115.66 2k4r s ARG 48 Ca 0.75 -1.50 0.06 0.00 -1.72 0.00 0.00 55.73 53.32 2k4r s ARG 48 Cb -1.06 -1.21 0.23 0.00 -0.45 0.00 0.00 34.95 32.46 2k4r s ARG 48 CO 0.52 0.22 0.67 0.43 -0.68 0.00 0.00 175.30 176.46 2k4r n SER 49 N -0.06 3.32 0.22 0.23 7.64 -1.26 -0.46 113.62 123.24 2k4r n SER 49 Ca -0.10 -3.33 0.11 0.00 1.01 0.00 0.00 58.87 56.56 2k4r n SER 49 Cb 0.59 -0.69 0.19 0.00 -1.01 0.00 0.00 64.21 63.29 2k4r n SER 49 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2k4r h PRO 50 N 4.50 0.00 -5.96 1.43 0.13 -1.92 -3.45 132.00 126.72 2k4r h PRO 50 Ca 0.18 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.73 2k4r h PRO 50 Cb 0.70 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.76 2k4r h PRO 50 CO 0.78 0.06 0.66 0.34 -0.23 0.00 0.00 178.00 179.60 2k4r s ASP 51 N -6.20 6.97 0.39 1.44 2.15 -1.26 -4.91 116.67 115.24 2k4r s ASP 51 Ca 0.06 1.20 0.27 0.00 0.43 0.00 0.00 52.55 54.51 2k4r s ASP 51 Cb 0.06 -2.49 1.42 0.00 -0.30 0.00 0.00 42.92 41.60 2k4r s ASP 51 CO 0.67 -0.62 1.82 1.23 -0.17 0.00 0.00 175.17 178.10 2k4r h GLY 52 N 9.38 0.00 -0.75 2.66 0.00 -1.91 -0.30 103.07 112.14 2k4r h GLY 52 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2k4r h GLY 52 CO 0.94 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.48 2k4r n ALA 53 N -1.84 2.48 -1.05 3.60 0.00 -1.26 -4.87 120.51 117.57 2k4r n ALA 53 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.01 2k4r n ALA 53 Cb 0.06 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 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 0.90 0.53 3.46 0.00 0.00 -0.12 -4.99 105.19 104.95 2k4r n GLY 54 Ca 0.09 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.76 3.15 0.36 1.61 6.06 -1.23 -5.04 118.95 122.09 2k4r s ARG 55 Ca 0.00 -0.81 -0.25 0.00 -2.50 0.00 0.00 55.73 52.17 2k4r s ARG 55 Cb 0.00 -4.10 -0.10 0.00 0.06 0.00 0.00 34.95 30.82 2k4r s ARG 55 CO 0.00 -1.28 0.99 -1.25 -2.50 0.00 0.00 175.30 171.26 2k4r s PRO 56 N 2.85 4.41 0.09 5.12 0.04 -1.26 -4.27 135.00 141.98 2k4r s PRO 56 Ca 0.17 1.39 -0.22 0.00 0.04 0.00 0.00 61.00 62.38 2k4r s PRO 56 Cb -0.18 -2.67 0.06 0.00 0.04 0.00 0.00 34.50 31.74 2k4r s PRO 56 CO 0.13 0.11 0.55 1.67 0.04 0.00 0.00 177.00 179.49 2k4r s TRP 57 N -1.66 -0.46 0.36 0.56 1.48 0.39 0.02 118.94 119.64 2k4r s TRP 57 Ca 0.54 0.39 0.03 0.00 -1.06 0.00 0.00 56.10 56.00 2k4r s TRP 57 Cb -0.19 0.42 -0.04 0.00 -1.16 0.00 0.00 33.47 32.49 2k4r s TRP 57 CO 0.25 -0.73 0.09 0.00 -4.06 0.00 0.00 176.95 172.50 2k4r s PHE 59 N -3.28 3.38 0.01 0.00 0.08 -1.26 -0.05 117.98 116.87 2k4r s PHE 59 Ca 0.30 0.80 0.01 0.00 0.12 0.00 0.00 56.93 58.16 2k4r s PHE 59 Cb 0.06 -2.68 -0.04 0.00 -0.57 0.00 0.00 43.02 39.79 2k4r s PHE 59 CO 0.14 -0.10 0.05 1.52 -0.10 0.00 0.00 175.22 176.74 2k4r s TYR 60 N 1.62 3.19 -0.05 0.36 -0.85 0.21 0.10 117.35 121.93 2k4r s TYR 60 Ca 0.25 0.14 -0.01 0.00 -0.52 0.00 0.00 57.07 56.93 2k4r s TYR 60 Cb -0.15 -1.69 0.03 0.00 0.38 0.00 0.00 41.96 40.52 2k4r s TYR 60 CO 0.10 0.52 0.01 0.50 -1.52 0.00 0.00 175.55 175.15 2k4r s ARG 61 N -1.79 0.42 0.23 -3.49 3.52 -0.63 -1.53 118.95 115.69 2k4r s ARG 61 Ca 0.23 0.13 0.05 0.00 -0.13 0.00 0.00 55.73 56.01 2k4r s ARG 61 Cb -0.12 -0.76 -0.05 0.00 -1.56 0.00 0.00 34.95 32.46 2k4r s ARG 61 CO 0.14 -0.25 -0.05 0.54 -0.81 0.00 0.00 175.30 174.87 2k4r s ASN 62 N 1.70 2.20 0.00 -2.12 2.20 -0.74 -4.60 114.94 113.58 2k4r s ASN 62 Ca 0.00 -1.17 0.03 0.00 -0.94 0.00 0.00 52.86 50.78 2k4r s ASN 62 Cb -0.13 -0.06 0.17 0.00 -2.00 0.00 0.00 41.25 39.23 2k4r s ASN 62 CO -0.04 -0.41 0.74 0.00 -2.94 0.00 0.00 177.10 174.46 2k4r n ALA 63 N -0.44 2.12 1.14 3.54 0.00 -1.26 -0.71 120.51 124.90 2k4r n ALA 63 Ca -0.06 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.49 2k4r n ALA 63 Cb 0.63 -1.05 0.34 0.00 0.00 0.00 0.00 19.45 19.37 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 1.98 -1.08 0.00 3.00 -1.26 -4.92 117.38 114.53 2k4r n GLN 64 Ca 0.02 -1.44 0.00 0.00 -0.01 0.00 0.00 57.00 55.58 2k4r n GLN 64 Cb 0.01 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 28.79 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 1.26 1.12 3.46 1.08 0.00 0.11 -5.07 105.19 107.14 2k4r n GLY 65 Ca 0.17 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.47 3.26 -0.49 1.61 1.02 -0.96 -4.98 119.74 116.74 2k4r s LYS 66 Ca 0.00 -0.61 0.04 0.00 0.02 0.00 0.00 55.97 55.41 2k4r s LYS 66 Cb 0.00 -2.68 0.16 0.00 -0.52 0.00 0.00 37.83 34.79 2k4r s LYS 66 CO 0.00 0.35 0.35 0.08 -0.92 0.00 0.00 175.35 175.21 2k4r s VAL 67 N 0.03 1.14 0.00 3.17 1.01 -1.25 -1.79 120.40 122.70 2k4r s VAL 67 Ca -0.02 -2.97 0.00 0.00 0.00 0.00 0.00 61.98 58.98 2k4r s VAL 67 Cb -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.47 2k4r s VAL 67 CO 0.04 -1.11 0.00 0.47 0.00 0.00 0.00 175.10 174.50 2k4r n ASP 68 N 2.83 0.76 -4.46 3.32 8.00 -0.58 -3.13 116.55 123.28 2k4r n ASP 68 Ca 0.23 -0.88 -0.30 0.00 0.71 0.00 0.00 54.79 54.55 2k4r n ASP 68 Cb 0.42 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.39 2k4r n ASP 68 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 2k4r s TRP 69 N -1.46 2.49 -0.02 1.24 1.48 -1.26 0.66 118.94 122.07 2k4r s TRP 69 Ca 0.00 -0.29 -0.09 0.00 -1.06 0.00 0.00 56.10 54.66 2k4r s TRP 69 Cb 0.00 -1.37 0.01 0.00 -1.16 0.00 0.00 33.47 30.95 2k4r s TRP 69 CO 0.00 0.32 0.19 0.20 -4.06 0.00 0.00 176.95 173.61 2k4r s GLY 70 N -1.87 -0.04 0.20 3.67 0.00 0.93 -4.84 107.32 105.37 2k4r s GLY 70 Ca 0.16 0.13 -0.30 0.00 0.00 0.00 0.00 44.72 44.71 2k4r s GLY 70 CO 0.08 -0.01 1.11 -0.19 0.00 0.00 0.00 173.10 174.09 2k4r s TYR 71 N -1.05 3.57 -1.29 1.90 2.02 -1.26 -1.63 117.35 119.61 2k4r s TYR 71 Ca -0.11 1.60 -0.10 0.00 -0.37 0.00 0.00 57.07 58.09 2k4r s TYR 71 Cb -0.06 -3.30 0.16 0.00 -0.40 0.00 0.00 41.96 38.36 2k4r s TYR 71 CO 0.02 -0.67 1.87 0.00 -1.57 0.00 0.00 175.55 175.21 2k4r n ASP 73 N 4.21 0.00 0.13 0.00 2.03 -1.25 -3.07 116.55 118.61 2k4r n ASP 73 Ca 0.41 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2k4r n ASP 73 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 1.23 0.68 3.77 0.00 0.00 -1.26 -3.03 105.19 106.58 2k4r n GLY 75 Ca 0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 4.12 0.00 1.61 2.00 -1.26 -5.11 119.66 121.02 2k4r s GLN 76 Ca 0.10 0.28 0.00 0.00 -2.00 0.00 0.00 55.36 53.74 2k4r s GLN 76 Cb 0.12 -3.35 0.00 0.00 0.80 0.00 0.00 33.01 30.58 2k4r s GLN 76 CO -0.05 0.40 0.00 0.41 -0.50 0.00 0.00 175.29 175.55