#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4r h GLY 3 N 2.47 0.67 -7.50 0.00 0.00 -2.03 -3.30 103.07 93.37 2k4r h GLY 3 Ca -0.10 -0.67 -0.74 0.00 0.00 0.00 0.00 47.33 45.83 2k4r h GLY 3 CO 0.06 0.60 -0.24 0.00 0.00 0.00 0.00 176.54 176.96 2k4r s ALA 4 N -4.40 3.65 0.00 3.60 0.00 -1.26 -4.48 121.76 118.87 2k4r s ALA 4 Ca -0.13 -2.96 0.00 0.00 0.00 0.00 0.00 51.96 48.87 2k4r s ALA 4 Cb 0.08 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2k4r s ALA 4 CO 0.81 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.91 2k4r n GLY 5 N 4.26 0.84 0.41 0.00 0.00 -1.26 -4.93 105.19 104.50 2k4r n GLY 5 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 2k4r n GLY 5 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k4r n GLU 6 N 0.00 0.50 -1.39 1.61 0.00 -1.24 -2.28 120.64 117.84 2k4r n GLU 6 Ca 0.00 -0.28 -0.51 0.00 0.00 0.00 0.00 57.16 56.37 2k4r n GLU 6 Cb 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 31.44 31.26 2k4r n GLU 6 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 2k4r n PRO 7 N -1.20 0.38 0.19 3.44 -0.02 -0.66 -4.51 135.00 132.62 2k4r n PRO 7 Ca 0.02 0.08 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 2k4r n PRO 7 Cb 0.06 -1.91 0.17 0.00 -0.02 0.00 0.00 33.50 31.80 2k4r n PRO 7 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2k4r h TRP 8 N 11.51 0.00 0.00 6.00 7.01 -1.82 -3.49 115.95 135.16 2k4r h TRP 8 Ca -0.15 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.85 2k4r h TRP 8 Cb 1.35 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.41 2k4r h TRP 8 CO 1.00 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 177.06 2k4r n GLY 9 N 1.14 1.94 1.59 2.65 0.00 -1.26 -4.62 105.19 106.63 2k4r n GLY 9 Ca 0.04 -0.78 0.03 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 0.12 4.77 -3.68 1.61 5.03 -1.26 -2.12 115.26 119.72 2k4r n ASN 10 Ca 0.00 -3.09 -0.10 0.00 0.87 0.00 0.00 54.58 52.26 2k4r n ASN 10 Cb 0.00 -0.66 -0.10 0.00 -1.02 0.00 0.00 39.78 38.00 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 -2.89 -1.24 0.22 5.41 0.00 -1.26 0.37 121.76 122.37 2k4r s ALA 11 Ca 0.51 1.70 -0.32 0.00 0.00 0.00 0.00 51.96 53.85 2k4r s ALA 11 Cb 0.40 -1.02 -0.13 0.00 0.00 0.00 0.00 23.12 22.38 2k4r s ALA 11 CO 0.12 -0.29 1.60 0.25 0.00 0.00 0.00 175.76 177.45 2k4r n THR 12 N 4.11 0.42 0.28 0.00 -2.24 0.92 -3.69 114.28 114.08 2k4r n THR 12 Ca -0.21 -0.11 0.17 0.00 -2.27 0.00 0.00 64.05 61.63 2k4r n THR 12 Cb 0.56 -1.77 0.94 0.00 -2.10 0.00 0.00 70.33 67.96 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 5.61 0.00 0.18 3.42 7.08 -1.81 0.73 115.58 130.79 2k4r h ASN 13 Ca -0.45 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.77 2k4r h ASN 13 Cb 1.23 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.47 2k4r h ASN 13 CO 0.86 0.00 0.00 0.25 -2.08 0.00 0.00 177.43 176.46 2k4r h LEU 14 N 0.00 0.00 0.00 6.14 5.85 -1.88 -3.46 115.31 121.96 2k4r h LEU 14 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2k4r h LEU 14 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 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 -0.98 0.82 2.86 3.75 0.00 0.25 -5.14 105.19 106.75 2k4r n GLY 15 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.85 0.60 0.29 1.61 1.01 -0.78 -4.95 120.40 117.33 2k4r s VAL 16 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2k4r s VAL 16 Cb 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 36.38 35.62 2k4r s VAL 16 CO 0.00 0.27 1.32 -2.16 0.00 0.00 0.00 175.10 174.53 2k4r s PRO 17 N 1.36 4.36 0.02 2.72 0.04 -1.26 -0.05 135.00 142.19 2k4r s PRO 17 Ca -0.04 2.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.94 2k4r s PRO 17 Cb -0.13 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 2k4r s PRO 17 CO -0.03 -0.23 0.74 0.00 0.04 0.00 0.00 177.00 177.52 2k4r s LEU 19 N 0.10 3.44 0.22 0.00 2.96 0.23 -4.84 118.68 120.79 2k4r s LEU 19 Ca 0.38 0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 54.28 2k4r s LEU 19 Cb -0.20 -3.15 -0.08 0.00 0.50 0.00 0.00 46.19 43.26 2k4r s LEU 19 CO 0.22 -0.92 1.08 -1.00 -1.32 0.00 0.00 176.35 174.41 2k4r s HIS 20 N -2.72 3.63 0.45 5.38 3.76 -1.26 -4.46 115.29 120.07 2k4r s HIS 20 Ca 0.52 1.67 0.29 0.00 -0.15 0.00 0.00 55.06 57.39 2k4r s HIS 20 Cb -0.10 -3.25 1.55 0.00 1.11 0.00 0.00 32.58 31.90 2k4r s HIS 20 CO 0.40 -0.47 2.12 -1.49 -0.85 0.00 0.00 174.74 174.45 2k4r h TRP 21 N 4.53 0.00 -0.00 1.40 4.06 -1.48 -0.02 115.95 124.43 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 0.09 -0.24 -3.47 -3.56 0.00 0.00 178.44 171.87 2k4r n ASP 22 N -3.64 0.25 -1.95 -3.49 2.03 -1.03 -3.55 116.55 105.17 2k4r n ASP 22 Ca -0.02 0.11 -0.04 0.00 0.52 0.00 0.00 54.79 55.36 2k4r n ASP 22 Cb 0.20 -0.13 0.32 0.00 -0.72 0.00 0.00 41.12 40.78 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 -1.48 3.80 -3.85 -0.67 1.02 -0.02 -4.84 120.64 114.60 2k4r n GLU 23 Ca 0.07 -3.10 -0.36 0.00 -0.02 0.00 0.00 57.16 53.74 2k4r n GLU 23 Cb 0.34 -2.21 -0.13 0.00 -0.02 0.00 0.00 31.44 29.41 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 -2.98 3.31 0.64 2.62 1.01 -1.23 -4.91 120.40 118.86 2k4r s VAL 24 Ca 0.55 -1.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 2k4r s VAL 24 Cb 0.44 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2k4r s VAL 24 CO 0.13 -0.06 1.19 -2.16 0.00 0.00 0.00 175.10 174.20 2k4r s PRO 25 N 1.33 2.70 0.16 2.72 0.04 -1.26 -4.96 135.00 135.73 2k4r s PRO 25 Ca -0.03 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 2k4r s PRO 25 Cb -0.19 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.51 2k4r s PRO 25 CO -0.00 -1.39 1.74 -1.00 0.04 0.00 0.00 177.00 176.39 2k4r h PRO 26 N 0.39 0.23 -4.13 0.56 0.13 -2.00 -3.29 132.00 123.89 2k4r h PRO 26 Ca -0.49 -0.01 -0.76 0.00 -0.87 0.00 0.00 66.00 63.86 2k4r h PRO 26 Cb 1.29 -0.05 -0.24 0.00 0.13 0.00 0.00 31.00 32.13 2k4r h PRO 26 CO 0.53 0.15 0.38 -0.06 -0.23 0.00 0.00 178.00 178.77 2k4r s PHE 27 N -6.16 3.66 0.51 1.56 0.08 -1.26 -5.01 117.98 111.35 2k4r s PHE 27 Ca -0.13 -1.94 0.06 0.00 0.12 0.00 0.00 56.93 55.03 2k4r s PHE 27 Cb 0.12 -3.96 0.04 0.00 -0.57 0.00 0.00 43.02 38.65 2k4r s PHE 27 CO 0.71 -1.12 0.70 -1.17 -0.10 0.00 0.00 175.22 174.23 2k4r s LEU 28 N 0.66 3.40 0.20 -0.37 2.96 -1.24 -5.01 118.68 119.28 2k4r s LEU 28 Ca 0.24 -0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 53.67 2k4r s LEU 28 Cb -0.08 -2.49 0.20 0.00 0.50 0.00 0.00 46.19 44.31 2k4r s LEU 28 CO -0.09 -1.06 1.81 -0.33 -1.32 0.00 0.00 176.35 175.37 2k4r h GLU 29 N 0.31 0.65 0.00 1.98 5.08 -1.94 -3.44 114.58 117.22 2k4r h GLU 29 Ca -0.39 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 57.65 2k4r h GLU 29 Cb 1.28 -0.15 0.10 0.00 0.50 0.00 0.00 28.75 30.49 2k4r h GLU 29 CO 0.46 0.43 0.22 2.89 -1.00 0.00 0.00 179.01 182.01 2k4r n ARG 30 N -4.79 -0.58 -4.01 2.33 -4.01 -1.26 -5.10 116.66 99.23 2k4r n ARG 30 Ca 0.07 -1.48 -0.24 0.00 -1.04 0.00 0.00 57.85 55.16 2k4r n ARG 30 Cb 0.14 -0.77 -0.17 0.00 -3.04 0.00 0.00 32.46 28.62 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 -4.06 1.79 0.23 2.89 0.15 -1.26 -5.05 113.70 108.38 2k4r s SER 31 Ca 0.48 -0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.61 2k4r s SER 31 Cb -0.02 -0.68 -0.09 0.00 -1.71 0.00 0.00 66.02 63.53 2k4r s SER 31 CO 0.33 -0.10 1.04 -2.16 1.20 0.00 0.00 173.24 173.55 2k4r s PRO 32 N 1.49 4.70 0.58 5.44 0.04 -1.26 -4.93 135.00 141.06 2k4r s PRO 32 Ca -0.00 1.66 0.35 0.00 0.04 0.00 0.00 61.00 63.05 2k4r s PRO 32 Cb -0.13 -3.26 1.80 0.00 0.04 0.00 0.00 34.50 32.95 2k4r s PRO 32 CO -0.04 0.26 2.17 -1.00 0.04 0.00 0.00 177.00 178.43 2k4r h PRO 33 N 4.42 0.00 -3.35 0.56 0.13 -2.03 -3.44 132.00 128.29 2k4r h PRO 33 Ca -0.45 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 2k4r h PRO 33 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2k4r h PRO 33 CO 0.69 0.04 -0.15 0.00 -0.23 0.00 0.00 178.00 178.35 2k4r s ALA 34 N -4.08 -0.81 -0.11 -0.56 0.00 -1.26 -5.04 121.76 109.90 2k4r s ALA 34 Ca -0.03 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.60 2k4r s ALA 34 Cb 0.12 0.52 -0.06 0.00 0.00 0.00 0.00 23.12 23.70 2k4r s ALA 34 CO 0.51 -0.54 2.04 0.45 0.00 0.00 0.00 175.76 178.22 2k4r s SER 35 N -2.51 6.00 0.00 0.00 0.15 -1.26 -4.84 113.70 111.23 2k4r s SER 35 Ca 0.00 2.20 0.21 0.00 0.70 0.00 0.00 55.95 59.07 2k4r s SER 35 Cb 0.01 -2.52 0.58 0.00 -1.71 0.00 0.00 66.02 62.38 2k4r s SER 35 CO -0.08 -1.48 1.49 -2.67 1.20 0.00 0.00 173.24 171.69 2k4r n TRP 36 N 9.49 0.83 0.26 3.44 4.27 -1.26 -4.07 117.44 130.40 2k4r n TRP 36 Ca 0.24 -0.41 0.09 0.00 -3.89 0.00 0.00 57.50 53.53 2k4r n TRP 36 Cb 0.43 0.00 0.67 0.00 -1.36 0.00 0.00 31.31 31.05 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 4.28 1.87 0.00 -1.67 0.00 -2.01 -0.89 119.26 120.84 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 0.91 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k4r h ALA 37 CO 0.00 0.03 -0.26 -1.91 0.00 0.00 0.00 179.25 177.11 2k4r n GLU 38 N -4.39 0.03 0.22 0.00 2.13 -1.26 -3.13 120.64 114.24 2k4r n GLU 38 Ca -0.03 0.02 0.07 0.00 0.66 0.00 0.00 57.16 57.88 2k4r n GLU 38 Cb 0.11 -1.53 0.50 0.00 0.27 0.00 0.00 31.44 30.79 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 0.00 0.00 -0.16 4.31 3.38 -1.42 -3.46 115.31 117.96 2k4r h LEU 39 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 2k4r h LEU 39 Cb 0.53 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.09 2k4r h LEU 39 CO 0.00 0.26 -0.65 -2.11 0.09 0.00 0.00 178.44 176.04 2k4r n ARG 40 N -3.82 -2.46 -0.75 1.13 1.85 -1.19 -4.78 116.66 106.64 2k4r n ARG 40 Ca -0.01 0.28 -0.06 0.00 -1.00 0.00 0.00 57.85 57.05 2k4r n ARG 40 Cb 0.35 -4.92 0.21 0.00 -1.05 0.00 0.00 32.46 27.05 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 -1.09 3.16 0.42 2.89 0.00 -1.26 -4.72 105.19 104.58 2k4r n GLY 41 Ca 0.05 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 1.74 -0.40 -0.02 1.61 1.08 -1.87 -0.82 115.11 116.44 2k4r h GLN 42 Ca 0.23 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 2k4r h GLN 42 Cb 1.94 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 29.46 2k4r h GLN 42 CO 0.57 -0.27 0.14 -1.00 -0.95 0.00 0.00 178.83 177.32 2k4r h PRO 43 N -0.41 0.00 0.00 1.46 0.13 -1.96 -2.74 132.00 128.47 2k4r h PRO 43 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 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 -0.53 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 174.85 2k4r n HIS 44 N -3.09 0.00 -4.39 1.56 1.44 -0.31 -5.00 115.22 105.44 2k4r n HIS 44 Ca -0.02 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.50 2k4r n HIS 44 Cb 0.21 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.17 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 -0.56 1.22 0.00 4.39 4.22 -1.26 -1.82 114.94 121.13 2k4r s ASN 45 Ca 0.00 -0.24 0.00 0.00 -2.14 0.00 0.00 52.86 50.48 2k4r s ASN 45 Cb 0.00 -0.12 0.00 0.00 1.28 0.00 0.00 41.25 42.41 2k4r s ASN 45 CO 0.00 0.09 0.00 0.33 -2.04 0.00 0.00 177.10 175.48 2k4r n PHE 46 N 2.61 0.00 -1.47 1.54 7.35 -1.26 -4.80 117.46 121.43 2k4r n PHE 46 Ca -0.15 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.12 2k4r n PHE 46 Cb 0.56 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.40 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 -1.59 0.18 -0.30 0.00 1.81 0.66 -4.84 118.95 114.87 2k4r s ARG 48 Ca 0.63 0.77 -0.01 0.00 -1.72 0.00 0.00 55.73 55.41 2k4r s ARG 48 Cb -0.62 0.01 0.19 0.00 -0.45 0.00 0.00 34.95 34.09 2k4r s ARG 48 CO 0.58 -0.27 0.69 -1.12 -0.68 0.00 0.00 175.30 174.50 2k4r s SER 49 N 2.32 -1.29 -0.01 0.23 0.01 -1.26 -2.08 113.70 111.61 2k4r s SER 49 Ca -0.00 0.46 -0.22 0.00 1.31 0.00 0.00 55.95 57.49 2k4r s SER 49 Cb -0.12 1.94 -0.22 0.00 0.21 0.00 0.00 66.02 67.83 2k4r s SER 49 CO -0.09 -0.24 1.11 -0.65 0.41 0.00 0.00 173.24 173.78 2k4r h PRO 50 N 7.93 0.30 0.00 12.44 0.11 -1.98 -3.44 132.00 147.35 2k4r h PRO 50 Ca -0.12 -0.29 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2k4r h PRO 50 Cb 1.17 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2k4r h PRO 50 CO 0.14 0.96 0.00 -3.47 -0.21 0.00 0.00 178.00 175.43 2k4r n ASP 51 N -4.40 2.75 0.00 -2.05 2.03 -1.26 -4.89 116.55 108.73 2k4r n ASP 51 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2k4r n ASP 51 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 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 1.63 0.00 0.27 0.00 -1.26 -2.13 105.19 103.70 2k4r n GLY 52 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 2.19 -0.99 4.61 0.00 -1.26 -5.00 120.51 120.05 2k4r n ALA 53 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k4r n ALA 53 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 2.20 0.35 2.74 0.00 0.00 -0.90 -4.97 105.19 104.60 2k4r n GLY 54 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.66 0.66 0.26 1.61 3.52 -1.26 -5.03 118.95 118.04 2k4r s ARG 55 Ca 0.00 -0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 2k4r s ARG 55 Cb 0.00 -2.11 -0.14 0.00 -1.56 0.00 0.00 34.95 31.14 2k4r s ARG 55 CO 0.00 -0.65 1.25 -2.30 -0.81 0.00 0.00 175.30 172.79 2k4r n PRO 56 N 5.04 1.73 -3.93 5.12 -0.02 -1.26 -4.78 135.00 136.90 2k4r n PRO 56 Ca -0.09 0.61 -0.10 0.00 -2.02 0.00 0.00 63.50 61.91 2k4r n PRO 56 Cb 0.47 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 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 -0.48 0.18 0.44 6.00 1.48 -0.89 0.14 118.94 125.81 2k4r s TRP 57 Ca 0.65 -0.42 0.03 0.00 -1.06 0.00 0.00 56.10 55.30 2k4r s TRP 57 Cb -0.69 -0.14 -0.02 0.00 -1.16 0.00 0.00 33.47 31.47 2k4r s TRP 57 CO 0.55 -0.29 0.10 0.00 -4.06 0.00 0.00 176.95 173.24 2k4r s PHE 59 N -3.12 3.39 -0.17 0.00 0.08 -1.26 -0.17 117.98 116.74 2k4r s PHE 59 Ca 0.19 0.77 -0.08 0.00 0.12 0.00 0.00 56.93 57.92 2k4r s PHE 59 Cb 0.02 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 2k4r s PHE 59 CO 0.12 -0.04 0.10 1.52 -0.10 0.00 0.00 175.22 176.81 2k4r s TYR 60 N 1.42 3.38 -0.20 0.36 -0.85 0.23 0.76 117.35 122.45 2k4r s TYR 60 Ca 0.24 0.28 -0.01 0.00 -0.52 0.00 0.00 57.07 57.05 2k4r s TYR 60 Cb -0.15 -2.07 0.01 0.00 0.38 0.00 0.00 41.96 40.13 2k4r s TYR 60 CO 0.09 0.35 -0.13 0.50 -1.52 0.00 0.00 175.55 174.85 2k4r s ARG 61 N 0.01 3.09 -0.16 -3.49 3.52 -0.83 -1.61 118.95 119.47 2k4r s ARG 61 Ca 0.08 -0.79 -0.08 0.00 -0.13 0.00 0.00 55.73 54.81 2k4r s ARG 61 Cb -0.12 -2.78 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 2k4r s ARG 61 CO 0.00 -0.24 0.12 -0.80 -0.81 0.00 0.00 175.30 173.58 2k4r s ASN 62 N 1.36 6.18 0.00 -2.12 0.01 0.33 -4.67 114.94 116.02 2k4r s ASN 62 Ca 0.04 0.31 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 2k4r s ASN 62 Cb -0.14 -2.04 0.00 0.00 0.41 0.00 0.00 41.25 39.48 2k4r s ASN 62 CO -0.08 0.29 0.46 0.00 -1.51 0.00 0.00 177.10 176.26 2k4r n ALA 63 N 2.79 2.00 0.44 0.60 0.00 -1.26 -1.22 120.51 123.86 2k4r n ALA 63 Ca -0.18 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.36 2k4r n ALA 63 Cb 0.53 -1.00 0.16 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.19 2.18 0.00 0.00 6.02 -1.26 -4.93 117.38 119.20 2k4r n GLN 64 Ca 0.00 -2.01 0.00 0.00 -0.01 0.00 0.00 57.00 54.98 2k4r n GLN 64 Cb 0.06 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.89 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 1.24 1.21 3.09 1.08 0.00 -0.36 -5.10 105.19 106.36 2k4r n GLY 65 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.05 2.52 -0.44 1.61 1.02 -0.90 -4.98 119.74 118.52 2k4r s LYS 66 Ca 0.00 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.34 2k4r s LYS 66 Cb 0.00 -2.11 0.14 0.00 -0.52 0.00 0.00 37.83 35.34 2k4r s LYS 66 CO 0.00 -0.07 0.25 0.08 -0.92 0.00 0.00 175.35 174.70 2k4r s VAL 67 N 0.98 1.29 0.00 3.17 1.01 -1.26 0.12 120.40 125.72 2k4r s VAL 67 Ca -0.05 -2.56 0.00 0.00 0.00 0.00 0.00 61.98 59.37 2k4r s VAL 67 Cb -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2k4r s VAL 67 CO -0.03 -0.93 0.00 0.47 0.00 0.00 0.00 175.10 174.61 2k4r n ASP 68 N 3.48 0.78 -4.64 3.32 8.00 -0.64 -4.19 116.55 122.66 2k4r n ASP 68 Ca 0.11 -0.88 -0.31 0.00 0.71 0.00 0.00 54.79 54.42 2k4r n ASP 68 Cb 0.36 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.36 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 -1.44 2.93 -0.03 1.24 1.48 -1.26 0.77 118.94 122.63 2k4r s TRP 69 Ca 0.00 -0.03 -0.09 0.00 -1.06 0.00 0.00 56.10 54.92 2k4r s TRP 69 Cb 0.00 -1.56 0.01 0.00 -1.16 0.00 0.00 33.47 30.76 2k4r s TRP 69 CO 0.00 0.43 0.20 0.20 -4.06 0.00 0.00 176.95 173.72 2k4r s GLY 70 N -1.88 -0.06 0.44 3.67 0.00 0.76 -4.82 107.32 105.44 2k4r s GLY 70 Ca 0.21 0.18 -0.23 0.00 0.00 0.00 0.00 44.72 44.88 2k4r s GLY 70 CO 0.13 0.04 1.09 -0.19 0.00 0.00 0.00 173.10 174.17 2k4r s TYR 71 N -0.93 3.05 -1.00 1.90 2.02 -1.26 -1.66 117.35 119.47 2k4r s TYR 71 Ca -0.10 1.59 -0.01 0.00 -0.37 0.00 0.00 57.07 58.18 2k4r s TYR 71 Cb -0.05 -3.21 0.32 0.00 -0.40 0.00 0.00 41.96 38.62 2k4r s TYR 71 CO 0.02 -1.01 1.72 0.00 -1.57 0.00 0.00 175.55 174.71 2k4r s ASP 73 N -1.56 -0.23 0.39 0.00 -4.77 -1.26 -1.65 116.67 107.58 2k4r s ASP 73 Ca 0.39 0.07 0.27 0.00 -3.30 0.00 0.00 52.55 49.98 2k4r s ASP 73 Cb 0.18 0.36 1.41 0.00 -1.09 0.00 0.00 42.92 43.78 2k4r s ASP 73 CO -0.10 -0.53 1.82 0.00 0.70 0.00 0.00 175.17 177.06 2k4r n GLY 75 N -1.07 6.00 3.77 0.00 0.00 -1.26 -4.93 105.19 107.70 2k4r n GLY 75 Ca -0.01 -2.43 -0.39 0.00 0.00 0.00 0.00 46.02 43.19 2k4r n GLY 75 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k4r s GLN 76 N -3.78 4.71 0.00 1.61 -2.07 -0.15 -5.07 119.66 114.92 2k4r s GLN 76 Ca 0.60 1.38 0.00 0.00 -1.82 0.00 0.00 55.36 55.52 2k4r s GLN 76 Cb 0.48 -3.10 0.00 0.00 -1.09 0.00 0.00 33.01 29.29 2k4r s GLN 76 CO -0.03 0.44 0.00 0.41 -1.32 0.00 0.00 175.29 174.79