#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 -0.74 -1.30 2.31 0.00 0.00 -1.26 -4.35 105.19 99.86 2k4r n GLY 3 Ca 0.56 -2.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.14 4.59 0.00 4.61 0.00 -1.26 -4.86 120.51 123.45 2k4r n ALA 4 Ca 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 53.44 49.68 2k4r n ALA 4 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.58 0.71 3.31 0.00 0.00 -1.26 -4.84 105.19 102.52 2k4r n GLY 5 Ca 0.35 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.99 2.79 0.32 1.61 2.12 -1.22 -4.55 118.70 118.78 2k4r s GLU 6 Ca 0.00 -1.54 -0.29 0.00 0.36 0.00 0.00 54.97 53.51 2k4r s GLU 6 Cb 0.00 -4.04 -0.10 0.00 0.26 0.00 0.00 34.13 30.25 2k4r s GLU 6 CO 0.00 -1.11 1.21 -1.25 -0.54 0.00 0.00 175.26 173.58 2k4r s PRO 7 N 1.52 4.42 -0.71 4.30 0.04 -1.14 -4.47 135.00 138.97 2k4r s PRO 7 Ca 0.04 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.11 2k4r s PRO 7 Cb -0.26 -3.06 0.37 0.00 0.04 0.00 0.00 34.50 31.59 2k4r s PRO 7 CO 0.03 -0.06 1.66 1.87 0.04 0.00 0.00 177.00 180.55 2k4r n TRP 8 N 0.85 3.16 0.00 0.56 -0.00 -1.19 -5.02 117.44 115.80 2k4r n TRP 8 Ca 0.00 -2.67 0.00 0.00 -0.00 0.00 0.00 57.50 54.83 2k4r n TRP 8 Cb 0.43 -0.78 0.00 0.00 -0.00 0.00 0.00 31.31 30.96 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 -0.48 1.40 1.58 5.87 0.00 -1.26 -2.26 105.19 110.04 2k4r n GLY 9 Ca 0.48 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 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 9.26 3.19 -3.68 1.61 5.03 -1.26 -2.20 115.26 127.20 2k4r n ASN 10 Ca 0.00 -3.74 -0.11 0.00 0.87 0.00 0.00 54.58 51.60 2k4r n ASN 10 Cb 0.00 -0.70 -0.09 0.00 -1.02 0.00 0.00 39.78 37.96 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 -3.32 -1.31 0.32 5.41 0.00 -0.96 0.50 121.76 122.41 2k4r s ALA 11 Ca 0.50 1.71 -0.29 0.00 0.00 0.00 0.00 51.96 53.87 2k4r s ALA 11 Cb 0.43 -1.01 -0.11 0.00 0.00 0.00 0.00 23.12 22.43 2k4r s ALA 11 CO 0.03 -0.28 1.56 0.25 0.00 0.00 0.00 175.76 177.32 2k4r n THR 12 N 3.80 1.38 0.33 0.00 -2.24 0.74 -3.19 114.28 115.11 2k4r n THR 12 Ca -0.19 -0.34 0.19 0.00 -2.27 0.00 0.00 64.05 61.44 2k4r n THR 12 Cb 0.56 -1.98 1.04 0.00 -2.10 0.00 0.00 70.33 67.86 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 4.13 0.00 0.37 3.42 7.08 -1.82 0.63 115.58 129.40 2k4r h ASN 13 Ca -0.48 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 52.69 2k4r h ASN 13 Cb 1.23 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.46 2k4r h ASN 13 CO 0.74 0.00 -0.22 0.25 -2.08 0.00 0.00 177.43 176.12 2k4r h LEU 14 N 0.00 0.00 0.00 6.14 5.85 -1.89 -3.47 115.31 121.95 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 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2k4r h LEU 14 CO 0.00 0.22 0.00 0.61 -0.34 0.00 0.00 178.44 178.93 2k4r n GLY 15 N -0.63 1.38 3.10 3.75 0.00 0.22 -5.14 105.19 107.87 2k4r n GLY 15 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.64 1.91 0.37 1.61 1.01 -1.03 -4.94 120.40 117.70 2k4r s VAL 16 Ca 0.00 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.87 2k4r s VAL 16 Cb 0.00 -1.73 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 2k4r s VAL 16 CO 0.00 0.52 1.05 -2.16 0.00 0.00 0.00 175.10 174.50 2k4r s PRO 17 N 1.21 4.28 0.06 2.72 0.04 -1.26 -0.18 135.00 141.87 2k4r s PRO 17 Ca 0.02 1.54 -0.24 0.00 0.04 0.00 0.00 61.00 62.35 2k4r s PRO 17 Cb -0.14 -2.67 -0.06 0.00 0.04 0.00 0.00 34.50 31.68 2k4r s PRO 17 CO -0.09 -0.04 0.73 0.00 0.04 0.00 0.00 177.00 177.64 2k4r s LEU 19 N -0.33 3.15 0.28 0.00 2.96 0.20 -4.82 118.68 120.11 2k4r s LEU 19 Ca 0.36 0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 54.24 2k4r s LEU 19 Cb -0.21 -3.06 -0.09 0.00 0.50 0.00 0.00 46.19 43.34 2k4r s LEU 19 CO 0.23 -1.25 1.03 -1.00 -1.32 0.00 0.00 176.35 174.04 2k4r s HIS 20 N -2.93 3.70 0.30 5.38 3.76 -1.26 -4.48 115.29 119.75 2k4r s HIS 20 Ca 0.57 1.77 0.31 0.00 -0.15 0.00 0.00 55.06 57.57 2k4r s HIS 20 Cb -0.10 -3.15 1.46 0.00 1.11 0.00 0.00 32.58 31.90 2k4r s HIS 20 CO 0.41 -0.17 2.04 -1.49 -0.85 0.00 0.00 174.74 174.68 2k4r h TRP 21 N 3.78 0.00 0.00 1.40 4.06 -1.50 0.09 115.95 123.79 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 0.60 0.09 -0.31 -3.47 -3.56 0.00 0.00 178.44 171.79 2k4r n ASP 22 N -3.34 0.68 -1.45 -3.49 2.03 -1.13 -3.77 116.55 106.08 2k4r n ASP 22 Ca -0.01 0.32 0.09 0.00 0.52 0.00 0.00 54.79 55.71 2k4r n ASP 22 Cb 0.27 -0.29 0.33 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 -2.09 3.59 -2.25 -0.67 1.02 0.01 -4.91 120.64 115.34 2k4r n GLU 23 Ca 0.05 -2.82 -0.43 0.00 -0.02 0.00 0.00 57.16 53.94 2k4r n GLU 23 Cb 0.42 -1.83 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 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 -1.83 3.88 0.37 2.62 1.01 -1.20 -4.91 120.40 120.34 2k4r s VAL 24 Ca 0.48 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 63.17 2k4r s VAL 24 Cb 0.31 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.66 2k4r s VAL 24 CO 0.23 -0.41 1.43 -2.16 0.00 0.00 0.00 175.10 174.19 2k4r s PRO 25 N 4.54 4.17 0.50 2.72 0.04 -1.26 -4.91 135.00 140.80 2k4r s PRO 25 Ca 0.65 2.46 0.16 0.00 0.04 0.00 0.00 61.00 64.31 2k4r s PRO 25 Cb -0.20 -2.99 1.21 0.00 0.04 0.00 0.00 34.50 32.56 2k4r s PRO 25 CO 0.27 -0.44 2.09 -1.00 0.04 0.00 0.00 177.00 177.96 2k4r h PRO 26 N 3.09 0.11 -4.05 0.56 0.13 -2.00 -3.19 132.00 126.65 2k4r h PRO 26 Ca -0.50 -0.01 -0.77 0.00 -0.87 0.00 0.00 66.00 63.85 2k4r h PRO 26 Cb 1.24 -0.03 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 2k4r h PRO 26 CO 0.64 0.08 0.24 -0.06 -0.23 0.00 0.00 178.00 178.67 2k4r s PHE 27 N -5.15 3.65 -0.02 1.56 0.40 -1.26 -5.03 117.98 112.13 2k4r s PHE 27 Ca -0.06 -1.89 -0.09 0.00 -0.60 0.00 0.00 56.93 54.30 2k4r s PHE 27 Cb 0.18 -3.91 -0.05 0.00 0.51 0.00 0.00 43.02 39.75 2k4r s PHE 27 CO 0.70 -1.08 0.28 -1.17 0.70 0.00 0.00 175.22 174.64 2k4r s LEU 28 N 0.61 4.40 0.04 -0.37 2.96 -1.21 -5.00 118.68 120.10 2k4r s LEU 28 Ca 0.21 0.64 -0.02 0.00 -0.22 0.00 0.00 54.13 54.74 2k4r s LEU 28 Cb -0.09 -2.53 -0.27 0.00 0.50 0.00 0.00 46.19 43.80 2k4r s LEU 28 CO -0.09 0.30 0.98 -0.33 -1.32 0.00 0.00 176.35 175.89 2k4r h GLU 29 N 4.36 0.22 -6.17 1.98 5.08 -1.92 -3.44 114.58 114.68 2k4r h GLU 29 Ca -0.51 -0.38 -0.58 0.00 -1.00 0.00 0.00 59.36 56.89 2k4r h GLU 29 Cb 1.21 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 2k4r h GLU 29 CO 0.63 1.10 -0.23 1.03 -1.00 0.00 0.00 179.01 180.54 2k4r s ARG 30 N -2.64 3.75 -0.19 2.33 1.81 -1.26 -5.08 118.95 117.68 2k4r s ARG 30 Ca -0.06 0.15 -0.16 0.00 -1.72 0.00 0.00 55.73 53.94 2k4r s ARG 30 Cb 0.07 -2.92 -0.04 0.00 -0.45 0.00 0.00 34.95 31.61 2k4r s ARG 30 CO 0.86 0.51 0.41 0.45 -0.68 0.00 0.00 175.30 176.85 2k4r s SER 31 N -1.97 6.49 0.33 0.23 0.15 -1.26 -4.93 113.70 112.74 2k4r s SER 31 Ca 0.37 0.58 -0.27 0.00 0.70 0.00 0.00 55.95 57.33 2k4r s SER 31 Cb -0.13 -2.24 -0.09 0.00 -1.71 0.00 0.00 66.02 61.84 2k4r s SER 31 CO 0.20 -0.06 1.03 -2.16 1.20 0.00 0.00 173.24 173.45 2k4r s PRO 32 N 1.17 4.46 0.48 5.44 0.04 -1.26 -4.96 135.00 140.37 2k4r s PRO 32 Ca 0.20 1.55 0.28 0.00 0.04 0.00 0.00 61.00 63.07 2k4r s PRO 32 Cb -0.15 -2.85 1.09 0.00 0.04 0.00 0.00 34.50 32.63 2k4r s PRO 32 CO 0.08 0.12 1.89 -1.00 0.04 0.00 0.00 177.00 178.12 2k4r h PRO 33 N 3.17 0.00 -3.41 0.56 0.13 -2.02 -3.46 132.00 126.98 2k4r h PRO 33 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2k4r h PRO 33 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 2k4r h PRO 33 CO 0.65 0.13 -0.02 0.00 -0.23 0.00 0.00 178.00 178.53 2k4r s ALA 34 N -3.67 -0.72 -0.28 -0.56 0.00 -1.26 -5.11 121.76 110.17 2k4r s ALA 34 Ca 0.01 -0.44 -0.28 0.00 0.00 0.00 0.00 51.96 51.25 2k4r s ALA 34 Cb 0.10 0.90 -0.03 0.00 0.00 0.00 0.00 23.12 24.08 2k4r s ALA 34 CO 0.60 -0.82 1.98 0.45 0.00 0.00 0.00 175.76 177.97 2k4r s SER 35 N -2.92 5.70 0.00 0.00 0.15 -1.26 -4.83 113.70 110.54 2k4r s SER 35 Ca 0.13 1.56 0.22 0.00 0.70 0.00 0.00 55.95 58.56 2k4r s SER 35 Cb -0.01 -2.52 0.53 0.00 -1.71 0.00 0.00 66.02 62.32 2k4r s SER 35 CO 0.01 -1.82 1.46 -2.67 1.20 0.00 0.00 173.24 171.42 2k4r n TRP 36 N 10.89 0.67 0.28 3.44 4.27 -1.26 -4.14 117.44 131.59 2k4r n TRP 36 Ca 0.26 -0.34 0.18 0.00 -3.89 0.00 0.00 57.50 53.71 2k4r n TRP 36 Cb 0.46 0.00 0.90 0.00 -1.36 0.00 0.00 31.31 31.31 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 4.35 1.00 -0.62 -1.67 0.00 -2.02 0.34 119.26 120.64 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 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2k4r h ALA 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 2k4r n GLU 38 N -2.76 2.96 0.11 0.00 1.02 -1.26 -3.97 120.64 116.75 2k4r n GLU 38 Ca -0.02 -2.57 -0.03 0.00 -0.02 0.00 0.00 57.16 54.52 2k4r n GLU 38 Cb 0.10 -1.57 0.09 0.00 -0.02 0.00 0.00 31.44 30.04 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 3.65 0.01 1.34 -4.62 3.38 -1.20 -3.47 115.31 114.39 2k4r h LEU 39 Ca 0.00 -0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.57 2k4r h LEU 39 Cb 1.03 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.80 2k4r h LEU 39 CO 0.05 0.73 -0.57 0.54 0.09 0.00 0.00 178.44 179.28 2k4r n ARG 40 N -3.68 -4.02 -0.98 1.13 1.74 -1.25 -4.85 116.66 104.75 2k4r n ARG 40 Ca -0.01 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 2k4r n ARG 40 Cb 0.71 -5.64 0.36 0.00 -1.02 0.00 0.00 32.46 26.87 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 -1.35 3.34 0.36 -0.13 0.00 -1.26 -4.76 105.19 101.40 2k4r n GLY 41 Ca -0.12 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.86 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 3.34 -0.23 0.00 1.61 1.08 -1.88 -0.53 115.11 118.50 2k4r h GLN 42 Ca 0.14 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2k4r h GLN 42 Cb 2.19 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.67 2k4r h GLN 42 CO 0.63 -0.15 0.20 -1.35 -0.95 0.00 0.00 178.83 177.21 2k4r h PRO 43 N -0.23 0.00 0.00 1.46 0.11 -1.96 -3.00 132.00 128.38 2k4r h PRO 43 Ca 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 2k4r h PRO 43 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 2k4r h PRO 43 CO -0.62 0.00 -0.02 -2.39 -0.21 0.00 0.00 178.00 174.76 2k4r n HIS 44 N -2.86 -0.20 -4.88 0.65 1.44 -0.21 -5.01 115.22 104.15 2k4r n HIS 44 Ca -0.02 -0.14 -0.27 0.00 -2.01 0.00 0.00 57.72 55.27 2k4r n HIS 44 Cb 0.25 0.02 -0.15 0.00 0.12 0.00 0.00 29.99 30.23 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 -1.12 2.56 0.00 4.39 4.22 -1.26 -1.79 114.94 121.94 2k4r s ASN 45 Ca 0.02 -0.46 0.00 0.00 -2.14 0.00 0.00 52.86 50.28 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 0.01 0.22 0.00 0.33 -2.04 0.00 0.00 177.10 175.63 2k4r n PHE 46 N 2.20 0.00 -1.57 1.54 7.35 -1.26 -4.85 117.46 120.87 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 0.53 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.33 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 -0.83 0.85 -0.19 0.00 1.81 -0.13 -4.87 118.95 115.59 2k4r s ARG 48 Ca 0.67 -0.62 0.01 0.00 -1.72 0.00 0.00 55.73 54.08 2k4r s ARG 48 Cb -0.81 -0.83 0.04 0.00 -0.45 0.00 0.00 34.95 32.91 2k4r s ARG 48 CO 0.55 0.21 -0.11 -1.54 -0.68 0.00 0.00 175.30 173.73 2k4r s SER 49 N -0.86 3.29 0.36 0.23 1.04 -1.26 -0.53 113.70 115.97 2k4r s SER 49 Ca 0.01 -0.83 0.15 0.00 0.48 0.00 0.00 55.95 55.76 2k4r s SER 49 Cb -0.07 -1.23 0.68 0.00 0.10 0.00 0.00 66.02 65.50 2k4r s SER 49 CO 0.01 -0.13 1.77 -0.65 0.98 0.00 0.00 173.24 175.22 2k4r h PRO 50 N 7.98 0.00 -2.55 4.02 0.11 -1.95 -3.44 132.00 136.18 2k4r h PRO 50 Ca -0.30 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.72 2k4r h PRO 50 Cb 1.10 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.97 2k4r h PRO 50 CO 0.49 0.42 -0.18 -0.51 -0.21 0.00 0.00 178.00 178.00 2k4r s ASP 51 N -6.75 -0.55 0.60 -2.05 1.01 -1.26 -5.00 116.67 102.68 2k4r s ASP 51 Ca -0.02 0.99 0.38 0.00 0.71 0.00 0.00 52.55 54.62 2k4r s ASP 51 Cb 0.13 0.95 1.84 0.00 1.01 0.00 0.00 42.92 46.85 2k4r s ASP 51 CO 0.72 -0.18 2.16 1.23 0.21 0.00 0.00 175.17 179.30 2k4r h GLY 52 N 6.08 0.00 -2.20 0.21 0.00 -1.94 0.11 103.07 105.32 2k4r h GLY 52 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2k4r h GLY 52 CO 0.23 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.77 2k4r n ALA 53 N -2.09 2.43 0.37 3.60 0.00 -1.26 -4.06 120.51 119.49 2k4r n ALA 53 Ca -0.01 -0.92 0.07 0.00 0.00 0.00 0.00 53.44 52.59 2k4r n ALA 53 Cb 0.20 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 18.68 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 1.47 -0.57 0.27 0.00 0.00 0.25 -5.10 105.19 101.51 2k4r n GLY 54 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2k4r n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k4r n ARG 55 N -1.69 -0.29 -2.19 1.61 0.63 -0.45 -4.91 116.66 109.37 2k4r n ARG 55 Ca 0.00 0.37 -0.36 0.00 -0.92 0.00 0.00 57.85 56.94 2k4r n ARG 55 Cb 0.32 -0.22 0.00 0.00 0.45 0.00 0.00 32.46 33.01 2k4r n ARG 55 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2k4r s PRO 56 N -3.53 3.43 0.15 -0.14 0.04 -1.26 -4.74 135.00 128.95 2k4r s PRO 56 Ca 0.00 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 62.65 2k4r s PRO 56 Cb 0.00 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.40 2k4r s PRO 56 CO 0.00 -0.81 0.38 1.67 0.04 0.00 0.00 177.00 178.27 2k4r s TRP 57 N -1.63 0.02 0.24 0.56 1.48 0.31 -0.75 118.94 119.18 2k4r s TRP 57 Ca 0.70 -0.37 0.01 0.00 -1.06 0.00 0.00 56.10 55.38 2k4r s TRP 57 Cb -0.28 0.17 -0.04 0.00 -1.16 0.00 0.00 33.47 32.17 2k4r s TRP 57 CO 0.32 -0.74 0.15 0.00 -4.06 0.00 0.00 176.95 172.62 2k4r s PHE 59 N -3.91 3.26 0.13 0.00 0.08 -1.26 -0.51 117.98 115.77 2k4r s PHE 59 Ca 0.39 0.67 0.03 0.00 0.12 0.00 0.00 56.93 58.13 2k4r s PHE 59 Cb 0.06 -2.82 -0.04 0.00 -0.57 0.00 0.00 43.02 39.66 2k4r s PHE 59 CO 0.15 -0.34 0.23 1.52 -0.10 0.00 0.00 175.22 176.68 2k4r s TYR 60 N 2.43 3.41 -0.13 0.36 -0.85 0.22 0.62 117.35 123.41 2k4r s TYR 60 Ca 0.23 0.11 -0.06 0.00 -0.52 0.00 0.00 57.07 56.84 2k4r s TYR 60 Cb -0.15 -1.65 -0.04 0.00 0.38 0.00 0.00 41.96 40.49 2k4r s TYR 60 CO 0.10 0.53 0.09 0.50 -1.52 0.00 0.00 175.55 175.25 2k4r s ARG 61 N -3.01 3.49 0.36 -3.49 3.52 -0.88 -1.94 118.95 117.00 2k4r s ARG 61 Ca 0.34 -0.24 -0.16 0.00 -0.13 0.00 0.00 55.73 55.54 2k4r s ARG 61 Cb -0.11 -3.12 -0.09 0.00 -1.56 0.00 0.00 34.95 30.06 2k4r s ARG 61 CO 0.27 0.64 0.80 -0.80 -0.81 0.00 0.00 175.30 175.39 2k4r s ASN 62 N -0.65 6.77 0.00 -2.12 -0.87 0.88 -4.68 114.94 114.28 2k4r s ASN 62 Ca 0.12 1.36 0.00 0.00 -1.57 0.00 0.00 52.86 52.77 2k4r s ASN 62 Cb -0.12 -2.41 0.00 0.00 -0.02 0.00 0.00 41.25 38.70 2k4r s ASN 62 CO 0.02 -0.28 0.97 0.00 -2.57 0.00 0.00 177.10 175.25 2k4r n ALA 63 N -0.58 2.53 0.00 0.60 0.00 -1.26 -1.83 120.51 119.96 2k4r n ALA 63 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2k4r n ALA 63 Cb 0.53 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.71 3.35 0.00 0.00 6.02 -1.26 -5.00 117.38 121.20 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 0.43 -0.60 0.00 0.00 1.02 0.00 0.00 30.24 31.09 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 1.23 0.66 3.96 1.08 0.00 -0.76 -5.10 105.19 106.26 2k4r n GLY 65 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.60 3.03 -0.06 1.61 1.02 -1.26 -4.87 119.74 118.63 2k4r s LYS 66 Ca 0.00 -0.63 -0.00 0.00 0.02 0.00 0.00 55.97 55.35 2k4r s LYS 66 Cb 0.00 -2.61 0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2k4r s LYS 66 CO 0.00 -0.23 -0.01 0.08 -0.92 0.00 0.00 175.35 174.27 2k4r s VAL 67 N -2.48 0.37 0.23 3.17 1.01 -1.26 -0.08 120.40 121.35 2k4r s VAL 67 Ca 0.48 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2k4r s VAL 67 Cb -0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2k4r s VAL 67 CO 0.36 0.23 0.15 -1.81 0.00 0.00 0.00 175.10 174.03 2k4r s ASP 68 N 1.51 0.55 0.11 3.32 1.01 -0.82 -3.75 116.67 118.61 2k4r s ASP 68 Ca -0.02 -1.46 0.05 0.00 0.71 0.00 0.00 52.55 51.83 2k4r s ASP 68 Cb -0.13 0.39 -0.04 0.00 1.01 0.00 0.00 42.92 44.15 2k4r s ASP 68 CO -0.03 -0.87 0.03 -1.66 0.21 0.00 0.00 175.17 172.85 2k4r s TRP 69 N -3.99 3.01 -0.07 4.23 1.48 -1.26 0.73 118.94 123.07 2k4r s TRP 69 Ca 0.39 -0.03 -0.17 0.00 -1.06 0.00 0.00 56.10 55.23 2k4r s TRP 69 Cb 0.06 -1.52 0.04 0.00 -1.16 0.00 0.00 33.47 30.89 2k4r s TRP 69 CO 0.15 0.50 0.40 0.20 -4.06 0.00 0.00 176.95 174.13 2k4r s GLY 70 N -2.53 -0.27 0.31 3.67 0.00 0.33 -4.87 107.32 103.95 2k4r s GLY 70 Ca 0.27 0.77 -0.29 0.00 0.00 0.00 0.00 44.72 45.47 2k4r s GLY 70 CO 0.19 0.56 1.42 -0.19 0.00 0.00 0.00 173.10 175.09 2k4r s TYR 71 N -0.74 2.91 -1.12 1.90 2.02 -1.26 -1.83 117.35 119.22 2k4r s TYR 71 Ca -0.08 1.15 -0.08 0.00 -0.37 0.00 0.00 57.07 57.69 2k4r s TYR 71 Cb -0.04 -3.84 -0.06 0.00 -0.40 0.00 0.00 41.96 37.62 2k4r s TYR 71 CO 0.04 -2.58 2.95 0.00 -1.57 0.00 0.00 175.55 174.38 2k4r n ASP 73 N 2.67 -1.04 0.00 0.00 -0.08 -1.26 -2.88 116.55 113.97 2k4r n ASP 73 Ca 0.65 -2.30 0.11 0.00 -1.51 0.00 0.00 54.79 51.74 2k4r n ASP 73 Cb 0.40 1.89 -0.15 0.00 2.34 0.00 0.00 41.12 45.60 2k4r n ASP 73 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k4r n GLY 75 N 1.25 2.58 3.51 0.00 0.00 -1.26 -4.84 105.19 106.43 2k4r n GLY 75 Ca -0.04 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 0.36 3.35 0.00 1.61 0.74 -1.25 -5.01 119.66 119.45 2k4r s GLN 76 Ca 0.19 -0.91 0.00 0.00 0.05 0.00 0.00 55.36 54.69 2k4r s GLN 76 Cb 0.09 -4.63 0.00 0.00 1.10 0.00 0.00 33.01 29.57 2k4r s GLN 76 CO 0.00 -2.01 0.36 0.41 -0.55 0.00 0.00 175.29 173.51