#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 0.83 0.11 3.42 0.00 0.00 -1.26 -4.81 105.19 103.48 2k4r n GLY 3 Ca -0.06 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 0.26 -1.53 -0.82 4.61 0.00 -1.26 -5.03 121.76 117.98 2k4r s ALA 4 Ca 0.23 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.54 2k4r s ALA 4 Cb 0.29 0.87 -0.11 0.00 0.00 0.00 0.00 23.12 24.17 2k4r s ALA 4 CO -0.10 -0.77 3.10 0.41 0.00 0.00 0.00 175.76 178.41 2k4r n GLY 5 N -0.37 3.94 3.26 0.00 0.00 -1.26 -3.83 105.19 106.93 2k4r n GLY 5 Ca -0.17 -1.52 -0.44 0.00 0.00 0.00 0.00 46.02 43.89 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 0.73 2.97 0.88 1.61 2.12 -1.26 -4.92 118.70 120.84 2k4r s GLU 6 Ca 0.65 -2.03 -0.12 0.00 0.36 0.00 0.00 54.97 53.83 2k4r s GLU 6 Cb 0.26 -4.17 0.16 0.00 0.26 0.00 0.00 34.13 30.64 2k4r s GLU 6 CO -0.07 -1.26 1.22 -1.25 -0.54 0.00 0.00 175.26 173.37 2k4r s PRO 7 N 0.94 1.16 0.02 4.30 0.04 -1.25 -4.57 135.00 135.64 2k4r s PRO 7 Ca 0.10 -0.40 0.06 0.00 0.04 0.00 0.00 61.00 60.79 2k4r s PRO 7 Cb -0.22 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 2k4r s PRO 7 CO -0.02 -2.03 -0.18 -0.46 0.04 0.00 0.00 177.00 174.35 2k4r s TRP 8 N -3.67 1.60 0.17 0.56 -0.00 -1.26 -5.04 118.94 111.29 2k4r s TRP 8 Ca 0.70 -0.34 -0.17 0.00 -0.00 0.00 0.00 56.10 56.28 2k4r s TRP 8 Cb -0.06 -0.98 0.10 0.00 -0.00 0.00 0.00 33.47 32.53 2k4r s TRP 8 CO 0.50 0.04 1.66 0.78 -0.00 0.00 0.00 176.95 179.93 2k4r h GLY 9 N 5.17 0.24 -4.37 5.86 0.00 -1.98 -3.02 103.07 104.96 2k4r h GLY 9 Ca -0.40 0.16 -0.52 0.00 0.00 0.00 0.00 47.33 46.58 2k4r h GLY 9 CO 0.45 -0.17 -0.85 0.70 0.00 0.00 0.00 176.54 176.68 2k4r n ASN 10 N -5.33 4.16 -3.67 0.19 5.03 -1.26 -1.99 115.26 112.39 2k4r n ASN 10 Ca 0.02 -3.47 -0.19 0.00 0.87 0.00 0.00 54.58 51.81 2k4r n ASN 10 Cb 0.24 -0.43 -0.17 0.00 -1.02 0.00 0.00 39.78 38.40 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 -3.54 0.07 -0.24 5.41 0.00 -1.14 -1.45 121.76 120.87 2k4r s ALA 11 Ca 0.45 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.46 2k4r s ALA 11 Cb 0.40 -0.68 -0.06 0.00 0.00 0.00 0.00 23.12 22.78 2k4r s ALA 11 CO -0.07 -0.50 2.23 0.25 0.00 0.00 0.00 175.76 177.67 2k4r n THR 12 N 5.27 0.31 0.00 0.00 -2.24 0.11 -4.36 114.28 113.37 2k4r n THR 12 Ca -0.05 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2k4r n THR 12 Cb 0.50 -2.51 0.00 0.00 -2.10 0.00 0.00 70.33 66.22 2k4r n THR 12 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k4r n ASN 13 N 11.78 0.00 -2.90 3.42 2.85 -0.79 -1.28 115.26 128.34 2k4r n ASN 13 Ca 0.31 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.59 2k4r n ASN 13 Cb 0.43 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.44 2k4r n ASN 13 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2k4r n LEU 14 N 0.00 2.33 0.00 1.20 7.94 -1.26 -4.15 117.00 123.06 2k4r n LEU 14 Ca 0.00 -4.86 0.00 0.00 -1.11 0.00 0.00 56.01 50.04 2k4r n LEU 14 Cb 0.00 0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.15 2k4r n LEU 14 CO 0.00 2.12 0.00 0.61 -1.11 0.00 0.00 177.39 179.01 2k4r n GLY 15 N -0.03 -0.27 3.73 -3.96 0.00 -0.40 -5.14 105.19 99.12 2k4r n GLY 15 Ca 0.24 0.24 -0.38 0.00 0.00 0.00 0.00 46.02 46.12 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 5.14 0.35 1.61 1.01 -1.25 -4.71 120.40 122.56 2k4r s VAL 16 Ca 0.00 1.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.72 2k4r s VAL 16 Cb 0.00 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.42 2k4r s VAL 16 CO 0.00 0.34 1.26 -2.65 0.00 0.00 0.00 175.10 174.06 2k4r n PRO 17 N 3.48 2.03 -2.26 2.72 -0.02 -1.25 0.08 135.00 139.78 2k4r n PRO 17 Ca -0.07 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 2k4r n PRO 17 Cb 0.52 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2k4r n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4r s LEU 19 N 0.97 2.62 0.25 0.00 2.96 0.18 -4.79 118.68 120.87 2k4r s LEU 19 Ca 0.62 1.20 -0.30 0.00 -0.22 0.00 0.00 54.13 55.43 2k4r s LEU 19 Cb -0.34 -3.82 -0.09 0.00 0.50 0.00 0.00 46.19 42.43 2k4r s LEU 19 CO 0.31 -1.86 1.04 -1.00 -1.32 0.00 0.00 176.35 173.52 2k4r s HIS 20 N -3.25 3.73 0.37 5.38 3.76 -1.26 -4.45 115.29 119.57 2k4r s HIS 20 Ca 0.60 1.77 0.12 0.00 -0.15 0.00 0.00 55.06 57.40 2k4r s HIS 20 Cb -0.13 -3.17 0.72 0.00 1.11 0.00 0.00 32.58 31.10 2k4r s HIS 20 CO 0.53 -0.19 1.83 -1.49 -0.85 0.00 0.00 174.74 174.57 2k4r h TRP 21 N 4.14 0.02 -0.01 1.40 4.06 -1.48 0.79 115.95 124.87 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 29.36 2k4r h TRP 21 CO 0.60 0.38 -0.07 -3.47 -3.56 0.00 0.00 178.44 172.32 2k4r n ASP 22 N -4.11 0.68 -0.66 -3.49 2.03 -0.94 -3.48 116.55 106.57 2k4r n ASP 22 Ca -0.02 -0.92 0.10 0.00 0.52 0.00 0.00 54.79 54.48 2k4r n ASP 22 Cb 0.40 -0.02 0.05 0.00 -0.72 0.00 0.00 41.12 40.82 2k4r n ASP 22 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k4r n GLU 23 N -0.65 1.70 -2.57 -0.67 2.13 0.24 -4.92 120.64 115.90 2k4r n GLU 23 Ca 0.17 -1.38 -0.42 0.00 0.66 0.00 0.00 57.16 56.19 2k4r n GLU 23 Cb 0.27 -1.40 -0.03 0.00 0.27 0.00 0.00 31.44 30.55 2k4r n GLU 23 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2k4r s VAL 24 N -1.98 4.51 0.43 6.31 1.01 -1.05 -4.89 120.40 124.75 2k4r s VAL 24 Ca 0.21 1.81 -0.23 0.00 0.00 0.00 0.00 61.98 63.77 2k4r s VAL 24 Cb 0.17 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 2k4r s VAL 24 CO 0.37 -0.02 1.09 -2.16 0.00 0.00 0.00 175.10 174.38 2k4r s PRO 25 N 2.25 3.97 0.49 2.72 0.04 -1.26 -4.96 135.00 138.25 2k4r s PRO 25 Ca 0.52 1.58 0.20 0.00 0.04 0.00 0.00 61.00 63.34 2k4r s PRO 25 Cb -0.21 -2.43 1.25 0.00 0.04 0.00 0.00 34.50 33.15 2k4r s PRO 25 CO 0.19 -0.33 2.06 -1.00 0.04 0.00 0.00 177.00 177.96 2k4r h PRO 26 N 2.20 0.00 -4.42 0.56 0.13 -2.01 -3.33 132.00 125.13 2k4r h PRO 26 Ca -0.49 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.91 2k4r h PRO 26 Cb 1.23 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.14 2k4r h PRO 26 CO 0.61 0.13 -0.04 -0.06 -0.23 0.00 0.00 178.00 178.41 2k4r s PHE 27 N -4.55 3.11 0.11 1.56 0.08 -1.26 -5.04 117.98 112.00 2k4r s PHE 27 Ca -0.04 -1.11 0.09 0.00 0.12 0.00 0.00 56.93 56.00 2k4r s PHE 27 Cb 0.15 -3.91 -0.04 0.00 -0.57 0.00 0.00 43.02 38.65 2k4r s PHE 27 CO 0.64 -1.17 -0.19 -1.17 -0.10 0.00 0.00 175.22 173.24 2k4r s LEU 28 N 2.19 2.66 0.05 -0.37 2.96 -1.25 -5.02 118.68 119.90 2k4r s LEU 28 Ca 0.08 -0.56 -0.27 0.00 -0.22 0.00 0.00 54.13 53.15 2k4r s LEU 28 Cb -0.27 -1.52 -0.17 0.00 0.50 0.00 0.00 46.19 44.73 2k4r s LEU 28 CO 0.05 0.19 1.48 -0.33 -1.32 0.00 0.00 176.35 176.42 2k4r h GLU 29 N 3.82 -0.47 -6.27 1.98 4.39 -1.94 -3.43 114.58 112.66 2k4r h GLU 29 Ca -0.50 0.03 -0.57 0.00 0.34 0.00 0.00 59.36 58.67 2k4r h GLU 29 Cb 1.17 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.88 2k4r h GLU 29 CO 0.46 -0.22 -0.12 1.03 -1.16 0.00 0.00 179.01 178.99 2k4r s ARG 30 N -5.47 3.92 -0.15 2.33 1.81 -1.25 -5.08 118.95 115.07 2k4r s ARG 30 Ca -0.15 0.41 -0.16 0.00 -1.72 0.00 0.00 55.73 54.11 2k4r s ARG 30 Cb 0.03 -2.94 -0.04 0.00 -0.45 0.00 0.00 34.95 31.55 2k4r s ARG 30 CO 0.60 0.50 0.39 0.45 -0.68 0.00 0.00 175.30 176.56 2k4r s SER 31 N -1.74 6.54 0.30 0.23 0.15 -1.26 -4.94 113.70 112.98 2k4r s SER 31 Ca 0.37 0.63 -0.29 0.00 0.70 0.00 0.00 55.95 57.36 2k4r s SER 31 Cb -0.15 -2.24 -0.10 0.00 -1.71 0.00 0.00 66.02 61.83 2k4r s SER 31 CO 0.19 0.02 1.15 -2.16 1.20 0.00 0.00 173.24 173.64 2k4r s PRO 32 N 0.73 4.55 0.54 5.44 0.04 -1.26 -4.94 135.00 140.10 2k4r s PRO 32 Ca 0.21 1.90 0.31 0.00 0.04 0.00 0.00 61.00 63.46 2k4r s PRO 32 Cb -0.14 -3.13 1.48 0.00 0.04 0.00 0.00 34.50 32.75 2k4r s PRO 32 CO 0.07 0.10 2.05 -1.35 0.04 0.00 0.00 177.00 177.91 2k4r h PRO 33 N 3.65 0.00 -4.11 0.56 0.11 -2.04 -3.45 132.00 126.73 2k4r h PRO 33 Ca -0.47 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 2k4r h PRO 33 Cb 1.22 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 2k4r h PRO 33 CO 0.66 0.09 -0.46 0.00 -0.21 0.00 0.00 178.00 178.08 2k4r s ALA 34 N -3.93 0.35 -0.39 -0.75 0.00 -1.26 -5.10 121.76 110.68 2k4r s ALA 34 Ca -0.01 -1.12 -0.28 0.00 0.00 0.00 0.00 51.96 50.54 2k4r s ALA 34 Cb 0.11 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 2k4r s ALA 34 CO 0.55 -0.58 1.62 0.45 0.00 0.00 0.00 175.76 177.81 2k4r s SER 35 N -3.00 6.05 0.00 0.00 0.15 -1.26 -4.84 113.70 110.80 2k4r s SER 35 Ca 0.20 1.00 0.24 0.00 0.70 0.00 0.00 55.95 58.09 2k4r s SER 35 Cb 0.05 -2.53 0.39 0.00 -1.71 0.00 0.00 66.02 62.21 2k4r s SER 35 CO 0.00 -1.63 1.37 -2.67 1.20 0.00 0.00 173.24 171.51 2k4r n TRP 36 N 9.78 0.13 -0.26 3.44 4.27 -1.26 -4.23 117.44 129.32 2k4r n TRP 36 Ca 0.20 -0.07 0.19 0.00 -3.89 0.00 0.00 57.50 53.93 2k4r n TRP 36 Cb 0.48 0.00 0.49 0.00 -1.36 0.00 0.00 31.31 30.92 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 4.59 2.16 -0.48 -1.67 0.00 -2.00 0.26 119.26 122.11 2k4r h ALA 37 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k4r h ALA 37 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2k4r h ALA 37 CO 0.00 -0.46 0.00 0.39 0.00 0.00 0.00 179.25 179.18 2k4r n GLU 38 N -4.54 3.20 0.24 0.00 -0.58 -1.26 -3.48 120.64 114.22 2k4r n GLU 38 Ca 0.20 -2.19 0.11 0.00 -0.42 0.00 0.00 57.16 54.86 2k4r n GLU 38 Cb 0.70 -1.79 0.60 0.00 -0.57 0.00 0.00 31.44 30.38 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 3.09 0.00 2.42 -4.62 3.38 -0.75 -3.47 115.31 115.36 2k4r h LEU 39 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 2k4r h LEU 39 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2k4r h LEU 39 CO 0.21 0.18 -0.50 0.54 0.09 0.00 0.00 178.44 178.95 2k4r n ARG 40 N -3.52 -2.00 -0.48 1.13 1.74 -1.23 -4.85 116.66 107.45 2k4r n ARG 40 Ca -0.01 0.91 0.09 0.00 -0.77 0.00 0.00 57.85 58.07 2k4r n ARG 40 Cb 0.33 -5.49 0.31 0.00 -1.02 0.00 0.00 32.46 26.59 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 -1.09 2.27 0.40 -0.13 0.00 -1.26 -4.72 105.19 100.65 2k4r n GLY 41 Ca -0.21 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 3.62 -0.14 0.00 1.61 1.08 -1.88 0.30 115.11 119.70 2k4r h GLN 42 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2k4r h GLN 42 Cb 1.18 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 2k4r h GLN 42 CO 0.15 -0.09 0.13 -1.00 -0.95 0.00 0.00 178.83 177.07 2k4r h PRO 43 N -0.14 0.00 0.00 1.46 0.13 -1.96 -2.51 132.00 128.98 2k4r h PRO 43 Ca 0.20 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.27 2k4r h PRO 43 Cb 0.54 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 2k4r h PRO 43 CO -0.80 0.00 -0.05 -2.39 -0.23 0.00 0.00 178.00 174.52 2k4r n HIS 44 N -2.96 -0.20 -4.78 1.56 1.44 0.09 -4.99 115.22 105.38 2k4r n HIS 44 Ca -0.03 -0.37 -0.26 0.00 -2.01 0.00 0.00 57.72 55.05 2k4r n HIS 44 Cb 0.19 0.05 -0.16 0.00 0.12 0.00 0.00 29.99 30.18 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 -1.31 2.12 0.00 4.39 4.22 -1.26 -1.85 114.94 121.24 2k4r s ASN 45 Ca 0.05 -0.36 0.00 0.00 -2.14 0.00 0.00 52.86 50.41 2k4r s ASN 45 Cb 0.00 -0.79 0.00 0.00 1.28 0.00 0.00 41.25 41.74 2k4r s ASN 45 CO 0.04 0.11 0.00 0.33 -2.04 0.00 0.00 177.10 175.53 2k4r n PHE 46 N 3.45 0.00 -1.58 1.54 7.35 -1.26 -4.82 117.46 122.14 2k4r n PHE 46 Ca -0.20 0.00 -0.49 0.00 -0.76 0.00 0.00 57.45 56.00 2k4r n PHE 46 Cb 0.53 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.32 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 -0.37 0.95 -0.30 0.00 1.81 0.37 -4.77 118.95 116.64 2k4r s ARG 48 Ca 0.73 -0.04 -0.04 0.00 -1.72 0.00 0.00 55.73 54.66 2k4r s ARG 48 Cb -0.84 -1.18 0.19 0.00 -0.45 0.00 0.00 34.95 32.66 2k4r s ARG 48 CO 0.52 -0.27 0.74 0.45 -0.68 0.00 0.00 175.30 176.06 2k4r s SER 49 N 1.79 -1.11 -0.03 0.23 0.15 -1.26 -2.18 113.70 111.29 2k4r s SER 49 Ca 0.04 0.63 -0.26 0.00 0.70 0.00 0.00 55.95 57.06 2k4r s SER 49 Cb -0.13 1.91 -0.21 0.00 -1.71 0.00 0.00 66.02 65.89 2k4r s SER 49 CO -0.06 -0.21 1.22 -0.65 1.20 0.00 0.00 173.24 174.74 2k4r h PRO 50 N 7.97 0.03 0.00 5.44 0.11 -1.97 -3.41 132.00 140.17 2k4r h PRO 50 Ca -0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2k4r h PRO 50 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k4r h PRO 50 CO 0.14 0.57 0.00 -3.47 -0.21 0.00 0.00 178.00 175.03 2k4r n ASP 51 N -4.80 0.00 0.00 -2.05 2.03 -1.26 -4.91 116.55 105.57 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 0.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 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 1.67 0.01 0.27 0.00 -1.26 -4.06 105.19 101.81 2k4r n GLY 52 Ca 0.00 -0.10 0.10 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 3.01 -1.29 4.61 0.00 -1.26 -4.98 120.51 120.61 2k4r n ALA 53 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 53.44 52.87 2k4r n ALA 53 Cb 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 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 1.41 1.10 3.61 0.00 0.00 -1.26 -4.95 105.19 105.10 2k4r n GLY 54 Ca -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.66 0.57 0.56 1.61 3.52 -1.26 -5.09 118.95 116.20 2k4r s ARG 55 Ca 0.00 1.43 -0.21 0.00 -0.13 0.00 0.00 55.73 56.82 2k4r s ARG 55 Cb 0.00 0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 34.19 2k4r s ARG 55 CO 0.00 -0.22 1.30 -1.25 -0.81 0.00 0.00 175.30 174.32 2k4r s PRO 56 N 2.89 3.06 0.06 5.12 0.04 -1.26 -4.73 135.00 140.18 2k4r s PRO 56 Ca -0.05 2.09 -0.00 0.00 0.04 0.00 0.00 61.00 63.08 2k4r s PRO 56 Cb -0.12 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2k4r s PRO 56 CO -0.19 -1.21 -0.04 1.67 0.04 0.00 0.00 177.00 177.28 2k4r s TRP 57 N -1.39 0.58 0.25 0.56 1.48 -0.93 -0.85 118.94 118.65 2k4r s TRP 57 Ca 0.74 -1.02 -0.03 0.00 -1.06 0.00 0.00 56.10 54.73 2k4r s TRP 57 Cb -0.37 -0.41 -0.02 0.00 -1.16 0.00 0.00 33.47 31.51 2k4r s TRP 57 CO 0.42 -0.33 0.29 0.00 -4.06 0.00 0.00 176.95 173.28 2k4r s PHE 59 N -3.85 3.48 -0.04 0.00 0.08 -1.26 -0.28 117.98 116.10 2k4r s PHE 59 Ca 0.34 0.65 -0.04 0.00 0.12 0.00 0.00 56.93 58.00 2k4r s PHE 59 Cb 0.03 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 2k4r s PHE 59 CO 0.15 0.24 0.17 1.52 -0.10 0.00 0.00 175.22 177.19 2k4r s TYR 60 N 0.45 3.56 -0.15 0.36 -0.85 0.23 0.50 117.35 121.46 2k4r s TYR 60 Ca 0.18 0.41 -0.16 0.00 -0.52 0.00 0.00 57.07 56.98 2k4r s TYR 60 Cb -0.13 -1.86 -0.04 0.00 0.38 0.00 0.00 41.96 40.30 2k4r s TYR 60 CO 0.05 0.67 0.40 0.50 -1.52 0.00 0.00 175.55 175.65 2k4r s ARG 61 N -1.65 4.28 0.09 -3.49 3.52 -0.93 -2.07 118.95 118.70 2k4r s ARG 61 Ca 0.23 0.28 -0.14 0.00 -0.13 0.00 0.00 55.73 55.97 2k4r s ARG 61 Cb -0.12 -3.45 -0.06 0.00 -1.56 0.00 0.00 34.95 29.75 2k4r s ARG 61 CO 0.14 0.15 0.49 -0.80 -0.81 0.00 0.00 175.30 174.47 2k4r s ASN 62 N 0.64 6.81 0.00 -2.12 -0.87 0.72 -4.73 114.94 115.39 2k4r s ASN 62 Ca 0.21 1.01 0.00 0.00 -1.57 0.00 0.00 52.86 52.52 2k4r s ASN 62 Cb -0.14 -2.26 0.00 0.00 -0.02 0.00 0.00 41.25 38.82 2k4r s ASN 62 CO 0.07 0.19 0.34 0.00 -2.57 0.00 0.00 177.10 175.13 2k4r n ALA 63 N 1.16 2.01 -0.24 0.60 0.00 -1.26 -1.98 120.51 120.80 2k4r n ALA 63 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k4r n ALA 63 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.16 1.13 0.00 0.00 6.02 -1.26 -5.00 117.38 118.42 2k4r n GLN 64 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 2k4r n GLN 64 Cb 0.17 -0.64 0.00 0.00 1.02 0.00 0.00 30.24 30.79 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 0.22 0.73 3.94 1.08 0.00 -0.84 -5.09 105.19 105.23 2k4r n GLY 65 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.66 3.49 -0.08 1.61 1.02 -1.26 -4.93 119.74 118.94 2k4r s LYS 66 Ca 0.00 -0.31 -0.03 0.00 0.02 0.00 0.00 55.97 55.65 2k4r s LYS 66 Cb 0.00 -2.66 0.04 0.00 -0.52 0.00 0.00 37.83 34.69 2k4r s LYS 66 CO 0.00 0.15 0.16 0.08 -0.92 0.00 0.00 175.35 174.82 2k4r s VAL 67 N -2.31 -0.16 0.26 3.17 1.01 -1.26 -0.20 120.40 120.92 2k4r s VAL 67 Ca 0.40 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2k4r s VAL 67 Cb -0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 2k4r s VAL 67 CO 0.36 0.11 0.12 -1.81 0.00 0.00 0.00 175.10 173.88 2k4r s ASP 68 N 1.73 1.12 0.08 3.32 1.01 -0.88 -3.48 116.67 119.57 2k4r s ASP 68 Ca -0.03 -1.44 0.03 0.00 0.71 0.00 0.00 52.55 51.82 2k4r s ASP 68 Cb -0.12 0.26 -0.04 0.00 1.01 0.00 0.00 42.92 44.04 2k4r s ASP 68 CO -0.06 -0.79 0.09 -1.66 0.21 0.00 0.00 175.17 172.95 2k4r s TRP 69 N -3.78 3.21 -0.02 4.23 1.48 -1.26 0.78 118.94 123.59 2k4r s TRP 69 Ca 0.37 0.09 -0.09 0.00 -1.06 0.00 0.00 56.10 55.42 2k4r s TRP 69 Cb 0.07 -1.63 0.01 0.00 -1.16 0.00 0.00 33.47 30.76 2k4r s TRP 69 CO 0.15 0.53 0.19 0.20 -4.06 0.00 0.00 176.95 173.95 2k4r s GLY 70 N -2.41 -0.05 -0.19 3.67 0.00 0.61 -4.89 107.32 104.06 2k4r s GLY 70 Ca 0.30 0.15 -0.29 0.00 0.00 0.00 0.00 44.72 44.87 2k4r s GLY 70 CO 0.22 0.01 1.17 -0.19 0.00 0.00 0.00 173.10 174.32 2k4r s TYR 71 N -0.97 3.05 -1.15 1.90 2.02 -1.26 -2.08 117.35 118.86 2k4r s TYR 71 Ca -0.11 1.19 -0.19 0.00 -0.37 0.00 0.00 57.07 57.60 2k4r s TYR 71 Cb -0.06 -3.41 -0.05 0.00 -0.40 0.00 0.00 41.96 38.05 2k4r s TYR 71 CO 0.02 -1.21 2.02 0.00 -1.57 0.00 0.00 175.55 174.81 2k4r n ASP 73 N 7.85 0.00 0.00 0.00 2.03 -1.26 -4.01 116.55 121.16 2k4r n ASP 73 Ca 0.50 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.81 2k4r n ASP 73 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.34 2.25 3.81 0.00 0.00 -1.26 -4.72 105.19 104.92 2k4r n GLY 75 Ca 0.00 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 2k4r n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k4r s GLN 76 N -1.31 3.87 0.00 1.61 -1.52 -1.26 -5.16 119.66 115.88 2k4r s GLN 76 Ca 0.11 0.04 0.00 0.00 -1.95 0.00 0.00 55.36 53.56 2k4r s GLN 76 Cb 0.10 -3.29 0.00 0.00 -0.22 0.00 0.00 33.01 29.60 2k4r s GLN 76 CO 0.01 0.55 0.00 0.41 -0.25 0.00 0.00 175.29 176.01