#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 -0.06 -0.10 3.78 0.00 0.00 -1.26 -5.01 105.19 102.54 2k4r n GLY 3 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.84 3.05 -0.66 4.61 0.00 -1.26 -4.92 121.76 118.75 2k4r s ALA 4 Ca 0.00 0.83 -0.26 0.00 0.00 0.00 0.00 51.96 52.53 2k4r s ALA 4 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2k4r s ALA 4 CO 0.00 -0.43 2.02 0.20 0.00 0.00 0.00 175.76 177.56 2k4r s GLY 5 N -1.43 -0.01 -0.33 0.00 0.00 -1.26 -4.93 107.32 99.37 2k4r s GLY 5 Ca 0.60 -0.69 -0.03 0.00 0.00 0.00 0.00 44.72 44.59 2k4r s GLY 5 CO 0.32 3.63 0.06 1.85 0.00 0.00 0.00 173.10 178.96 2k4r s GLU 6 N 7.41 2.43 0.79 2.90 2.12 -1.26 -4.85 118.70 128.25 2k4r s GLU 6 Ca 0.75 -1.31 -0.13 0.00 0.36 0.00 0.00 54.97 54.64 2k4r s GLU 6 Cb -0.12 -3.32 0.07 0.00 0.26 0.00 0.00 34.13 31.02 2k4r s GLU 6 CO 0.17 -0.69 1.19 -1.25 -0.54 0.00 0.00 175.26 174.14 2k4r s PRO 7 N 1.28 1.78 0.00 4.30 0.04 -1.16 -4.69 135.00 136.55 2k4r s PRO 7 Ca -0.02 1.70 0.20 0.00 0.04 0.00 0.00 61.00 62.92 2k4r s PRO 7 Cb -0.20 -1.80 0.32 0.00 0.04 0.00 0.00 34.50 32.86 2k4r s PRO 7 CO -0.00 -2.10 1.27 1.87 0.04 0.00 0.00 177.00 178.09 2k4r n TRP 8 N -3.22 0.33 0.00 0.56 -0.00 -1.25 -5.01 117.44 108.86 2k4r n TRP 8 Ca 0.13 -0.19 0.00 0.00 -0.00 0.00 0.00 57.50 57.44 2k4r n TRP 8 Cb 0.51 -0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.81 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 1.24 1.23 0.59 5.87 0.00 -1.26 -4.42 105.19 108.44 2k4r n GLY 9 Ca 0.16 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.45 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 0.54 2.31 -3.74 1.61 4.13 -1.26 -2.06 115.26 116.78 2k4r n ASN 10 Ca 0.00 -3.53 -0.13 0.00 1.68 0.00 0.00 54.58 52.60 2k4r n ASN 10 Cb 0.00 -0.52 -0.10 0.00 -1.54 0.00 0.00 39.78 37.61 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 -3.09 -0.92 -1.13 5.41 0.00 -1.26 -0.36 121.76 120.42 2k4r s ALA 11 Ca 0.38 1.07 -0.21 0.00 0.00 0.00 0.00 51.96 53.20 2k4r s ALA 11 Cb 0.35 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.89 2k4r s ALA 11 CO -0.01 -0.18 1.63 0.95 0.00 0.00 0.00 175.76 178.15 2k4r s THR 12 N 0.27 3.94 0.00 0.00 -4.23 -0.18 -3.83 115.64 111.61 2k4r s THR 12 Ca -0.01 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 2k4r s THR 12 Cb -0.03 -5.00 0.00 0.00 1.34 0.00 0.00 72.50 68.81 2k4r s THR 12 CO -0.00 -1.84 0.00 -0.46 -0.54 0.00 0.00 174.62 171.78 2k4r n ASN 13 N 9.44 0.00 -0.19 3.99 0.23 -1.26 -1.81 115.26 125.66 2k4r n ASN 13 Ca 0.41 0.00 0.30 0.00 -0.53 0.00 0.00 54.58 54.76 2k4r n ASN 13 Cb 0.48 0.00 0.70 0.00 -2.08 0.00 0.00 39.78 38.89 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 -1.89 -3.44 115.31 111.30 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 -1.68 0.71 2.96 3.75 0.00 -0.75 -5.13 105.19 105.05 2k4r n GLY 15 Ca 0.20 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.11 1.37 0.10 1.61 1.01 -1.25 -4.92 120.40 118.20 2k4r s VAL 16 Ca 0.00 -0.63 -0.31 0.00 0.00 0.00 0.00 61.98 61.05 2k4r s VAL 16 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 2k4r s VAL 16 CO 0.00 0.32 1.28 -2.84 0.00 0.00 0.00 175.10 173.86 2k4r s PRO 17 N 1.55 4.39 0.39 2.72 0.02 -1.26 -1.01 135.00 141.80 2k4r s PRO 17 Ca 0.03 1.91 -0.26 0.00 0.02 0.00 0.00 61.00 62.70 2k4r s PRO 17 Cb -0.14 -3.29 -0.09 0.00 0.02 0.00 0.00 34.50 31.00 2k4r s PRO 17 CO -0.09 -0.32 1.21 0.00 -0.33 0.00 0.00 177.00 177.46 2k4r n LEU 19 N 0.20 0.15 -3.60 0.00 7.94 0.36 -4.71 117.00 117.34 2k4r n LEU 19 Ca 0.04 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.77 2k4r n LEU 19 Cb 0.45 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.33 2k4r n LEU 19 CO 0.53 0.00 0.33 -1.00 -1.11 0.00 0.00 177.39 176.13 2k4r s HIS 20 N 0.00 -0.56 0.28 1.96 3.76 -1.26 -4.54 115.29 114.93 2k4r s HIS 20 Ca 0.00 1.04 0.28 0.00 -0.15 0.00 0.00 55.06 56.23 2k4r s HIS 20 Cb 0.00 0.31 1.31 0.00 1.11 0.00 0.00 32.58 35.31 2k4r s HIS 20 CO 0.00 -0.51 1.99 -1.49 -0.85 0.00 0.00 174.74 173.88 2k4r h TRP 21 N 3.56 0.00 0.00 1.40 4.06 -1.48 -1.65 115.95 121.84 2k4r h TRP 21 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 2k4r h TRP 21 Cb 1.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 2k4r h TRP 21 CO 0.41 0.13 -0.38 0.22 -3.56 0.00 0.00 178.44 175.27 2k4r h ASP 22 N 0.00 0.00 -0.80 -3.49 3.58 -1.72 -3.34 116.42 110.65 2k4r h ASP 22 Ca -0.00 -0.02 -0.33 0.00 0.42 0.00 0.00 57.03 57.10 2k4r h ASP 22 Cb 0.49 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 41.35 2k4r h ASP 22 CO 0.02 0.01 0.39 -0.62 -2.88 0.00 0.00 179.24 176.16 2k4r n GLU 23 N -2.76 2.96 -3.20 0.28 1.02 -0.62 -4.84 120.64 113.47 2k4r n GLU 23 Ca 0.03 -3.06 -0.43 0.00 -0.02 0.00 0.00 57.16 53.68 2k4r n GLU 23 Cb 0.51 -2.16 -0.08 0.00 -0.02 0.00 0.00 31.44 29.70 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 -3.14 4.95 0.53 2.62 1.01 -1.24 -4.81 120.40 120.32 2k4r s VAL 24 Ca 0.55 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 2k4r s VAL 24 Cb 0.45 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2k4r s VAL 24 CO 0.11 -0.49 1.34 -2.16 0.00 0.00 0.00 175.10 173.90 2k4r s PRO 25 N 2.51 3.27 0.56 2.72 0.04 -1.26 -4.90 135.00 137.94 2k4r s PRO 25 Ca 0.18 2.19 0.25 0.00 0.04 0.00 0.00 61.00 63.66 2k4r s PRO 25 Cb -0.15 -2.31 1.57 0.00 0.04 0.00 0.00 34.50 33.64 2k4r s PRO 25 CO 0.16 -1.07 2.14 -1.00 0.04 0.00 0.00 177.00 177.26 2k4r h PRO 26 N 1.61 0.00 -4.37 0.56 0.13 -1.99 -3.26 132.00 124.68 2k4r h PRO 26 Ca -0.51 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.91 2k4r h PRO 26 Cb 1.29 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.12 2k4r h PRO 26 CO 0.58 0.00 -0.44 -0.06 -0.23 0.00 0.00 178.00 177.85 2k4r s PHE 27 N -4.79 3.43 0.33 1.56 0.08 -1.26 -5.08 117.98 112.25 2k4r s PHE 27 Ca -0.05 -1.89 0.03 0.00 0.12 0.00 0.00 56.93 55.14 2k4r s PHE 27 Cb 0.16 -3.32 -0.02 0.00 -0.57 0.00 0.00 43.02 39.28 2k4r s PHE 27 CO 0.60 -0.96 0.50 -1.17 -0.10 0.00 0.00 175.22 174.10 2k4r s LEU 28 N 1.34 4.02 -0.14 -0.37 2.96 -1.23 -5.04 118.68 120.21 2k4r s LEU 28 Ca 0.05 0.16 -0.21 0.00 -0.22 0.00 0.00 54.13 53.92 2k4r s LEU 28 Cb -0.25 -3.03 -0.24 0.00 0.50 0.00 0.00 46.19 43.17 2k4r s LEU 28 CO -0.01 -0.34 0.50 -0.33 -1.32 0.00 0.00 176.35 174.85 2k4r h GLU 29 N 0.83 0.11 -6.29 1.98 5.08 -1.93 -3.46 114.58 110.91 2k4r h GLU 29 Ca -0.49 -0.19 -0.56 0.00 -1.00 0.00 0.00 59.36 57.12 2k4r h GLU 29 Cb 1.24 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 2k4r h GLU 29 CO 0.58 1.09 -0.24 1.03 -1.00 0.00 0.00 179.01 180.48 2k4r s ARG 30 N -2.38 3.66 -0.21 2.33 1.81 -1.26 -5.08 118.95 117.82 2k4r s ARG 30 Ca -0.22 0.00 -0.17 0.00 -1.72 0.00 0.00 55.73 53.62 2k4r s ARG 30 Cb 0.03 -2.77 -0.03 0.00 -0.45 0.00 0.00 34.95 31.73 2k4r s ARG 30 CO 0.69 0.39 0.47 0.45 -0.68 0.00 0.00 175.30 176.63 2k4r s SER 31 N -2.56 6.48 0.24 0.23 0.15 -1.26 -4.93 113.70 112.05 2k4r s SER 31 Ca 0.43 0.58 -0.30 0.00 0.70 0.00 0.00 55.95 57.36 2k4r s SER 31 Cb -0.12 -2.27 -0.09 0.00 -1.71 0.00 0.00 66.02 61.84 2k4r s SER 31 CO 0.25 -0.17 1.02 -2.16 1.20 0.00 0.00 173.24 173.39 2k4r s PRO 32 N 1.67 4.73 0.49 5.44 0.04 -1.26 -4.96 135.00 141.15 2k4r s PRO 32 Ca 0.21 1.64 0.28 0.00 0.04 0.00 0.00 61.00 63.18 2k4r s PRO 32 Cb -0.15 -3.25 1.09 0.00 0.04 0.00 0.00 34.50 32.23 2k4r s PRO 32 CO 0.09 0.32 1.89 -1.00 0.04 0.00 0.00 177.00 178.34 2k4r h PRO 33 N 4.23 0.00 -3.97 0.56 0.13 -2.03 -3.45 132.00 127.47 2k4r h PRO 33 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 2k4r h PRO 33 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2k4r h PRO 33 CO 0.68 0.11 -0.48 0.00 -0.23 0.00 0.00 178.00 178.08 2k4r s ALA 34 N -3.64 0.05 -0.00 -0.56 0.00 -1.26 -5.12 121.76 111.23 2k4r s ALA 34 Ca 0.01 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 2k4r s ALA 34 Cb 0.09 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 2k4r s ALA 34 CO 0.60 -0.47 1.28 0.45 0.00 0.00 0.00 175.76 177.62 2k4r s SER 35 N -2.89 6.97 -0.11 0.00 0.15 -1.26 -4.91 113.70 111.65 2k4r s SER 35 Ca 0.06 1.99 0.15 0.00 0.70 0.00 0.00 55.95 58.86 2k4r s SER 35 Cb 0.06 -2.56 0.54 0.00 -1.71 0.00 0.00 66.02 62.34 2k4r s SER 35 CO -0.10 -0.61 1.45 -2.67 1.20 0.00 0.00 173.24 172.51 2k4r n TRP 36 N 4.92 1.02 -0.07 3.44 4.27 -1.26 -4.53 117.44 125.24 2k4r n TRP 36 Ca 0.11 -0.68 0.06 0.00 -3.89 0.00 0.00 57.50 53.11 2k4r n TRP 36 Cb 0.45 -0.22 0.42 0.00 -1.36 0.00 0.00 31.31 30.60 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 2.67 1.77 -0.27 -1.67 0.00 -2.02 -1.10 119.26 118.64 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 1.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k4r h ALA 37 CO 0.17 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.98 2k4r n GLU 38 N -4.47 1.77 0.07 0.00 1.02 -1.26 -3.54 120.64 114.23 2k4r n GLU 38 Ca 0.06 -1.18 -0.05 0.00 -0.02 0.00 0.00 57.16 55.97 2k4r n GLU 38 Cb 0.17 -1.32 0.15 0.00 -0.02 0.00 0.00 31.44 30.42 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 2.10 0.35 0.01 -4.62 3.38 -1.52 -3.47 115.31 111.54 2k4r h LEU 39 Ca 0.00 -0.17 -0.42 0.00 0.09 0.00 0.00 57.88 57.38 2k4r h LEU 39 Cb 0.47 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2k4r h LEU 39 CO 0.00 0.78 -0.65 0.54 0.09 0.00 0.00 178.44 179.20 2k4r n ARG 40 N -3.97 -4.46 -0.91 1.13 1.74 -1.23 -4.84 116.66 104.12 2k4r n ARG 40 Ca -0.02 0.60 -0.09 0.00 -0.77 0.00 0.00 57.85 57.57 2k4r n ARG 40 Cb 0.54 -5.40 0.20 0.00 -1.02 0.00 0.00 32.46 26.78 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 -1.44 4.73 0.36 -0.13 0.00 -1.26 -4.85 105.19 102.61 2k4r n GLY 41 Ca -0.01 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 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 1.08 -0.17 -0.03 1.61 1.08 -1.88 -0.75 115.11 116.06 2k4r h GLN 42 Ca 0.32 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.54 2k4r h GLN 42 Cb 1.97 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 29.44 2k4r h GLN 42 CO 0.57 -0.11 0.09 -1.00 -0.95 0.00 0.00 178.83 177.42 2k4r h PRO 43 N -0.18 0.00 0.00 1.46 0.13 -1.95 -2.74 132.00 128.72 2k4r h PRO 43 Ca 0.22 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.28 2k4r h PRO 43 Cb 0.56 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 2k4r h PRO 43 CO -0.70 0.00 -0.06 -2.39 -0.23 0.00 0.00 178.00 174.62 2k4r n HIS 44 N -3.27 0.04 -2.94 1.56 1.44 -0.29 -4.97 115.22 106.79 2k4r n HIS 44 Ca -0.02 -0.34 -0.17 0.00 -2.01 0.00 0.00 57.72 55.17 2k4r n HIS 44 Cb 0.16 -0.01 -0.01 0.00 0.12 0.00 0.00 29.99 30.25 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 -1.82 1.87 -4.54 4.39 6.94 -1.26 -1.97 115.26 118.87 2k4r n ASN 45 Ca -0.01 -3.08 -0.32 0.00 -0.02 0.00 0.00 54.58 51.14 2k4r n ASN 45 Cb 0.08 -0.57 -0.12 0.00 -2.36 0.00 0.00 39.78 36.81 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 -2.88 2.79 0.26 -2.53 2.19 -1.26 -4.48 117.98 112.07 2k4r s PHE 46 Ca 0.38 -0.10 -0.28 0.00 0.33 0.00 0.00 56.93 57.26 2k4r s PHE 46 Cb 0.38 -1.60 -0.15 0.00 -1.31 0.00 0.00 43.02 40.34 2k4r s PHE 46 CO -0.06 0.30 0.87 0.00 1.83 0.00 0.00 175.22 178.15 2k4r s ARG 48 N -1.36 0.54 -0.28 0.00 1.81 -0.73 -4.85 118.95 114.08 2k4r s ARG 48 Ca 0.61 -0.50 0.00 0.00 -1.72 0.00 0.00 55.73 54.11 2k4r s ARG 48 Cb -0.78 -0.44 0.17 0.00 -0.45 0.00 0.00 34.95 33.46 2k4r s ARG 48 CO 0.59 0.10 0.50 0.45 -0.68 0.00 0.00 175.30 176.26 2k4r s SER 49 N -0.87 -0.69 -0.10 0.23 0.15 -1.26 -0.94 113.70 110.22 2k4r s SER 49 Ca -0.03 0.38 -0.26 0.00 0.70 0.00 0.00 55.95 56.74 2k4r s SER 49 Cb -0.06 1.68 -0.27 0.00 -1.71 0.00 0.00 66.02 65.66 2k4r s SER 49 CO 0.00 -0.29 0.86 1.55 1.20 0.00 0.00 173.24 176.56 2k4r h PRO 50 N 8.08 0.11 0.00 5.44 0.13 -1.95 -3.48 132.00 140.33 2k4r h PRO 50 Ca -0.16 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2k4r h PRO 50 Cb 1.16 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k4r h PRO 50 CO 0.25 1.03 0.00 -0.40 -0.23 0.00 0.00 178.00 178.65 2k4r n ASP 51 N -4.48 0.00 0.00 1.44 5.75 -1.26 -5.01 116.55 112.99 2k4r n ASP 51 Ca -0.11 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 2k4r n ASP 51 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 2k4r n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k4r n GLY 52 N 0.00 2.34 0.60 6.12 0.00 -1.26 -4.51 105.19 108.48 2k4r n GLY 52 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 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 2.20 -1.83 4.61 0.00 -1.26 -4.96 120.51 119.28 2k4r n ALA 53 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.84 2k4r n ALA 53 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 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 0.02 0.70 3.31 0.00 0.00 -1.26 -4.99 105.19 102.97 2k4r n GLY 54 Ca -0.03 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.95 3.13 0.45 1.61 3.52 -1.26 -4.82 118.95 117.64 2k4r s ARG 55 Ca 0.00 -0.81 -0.22 0.00 -0.13 0.00 0.00 55.73 54.57 2k4r s ARG 55 Cb 0.00 -3.20 -0.08 0.00 -1.56 0.00 0.00 34.95 30.11 2k4r s ARG 55 CO 0.00 -0.36 1.11 -2.14 -0.81 0.00 0.00 175.30 173.09 2k4r s PRO 56 N 1.46 3.84 0.06 5.12 0.02 -1.26 -4.72 135.00 139.52 2k4r s PRO 56 Ca 0.03 1.61 -0.10 0.00 0.02 0.00 0.00 61.00 62.56 2k4r s PRO 56 Cb -0.16 -2.35 0.01 0.00 0.02 0.00 0.00 34.50 32.01 2k4r s PRO 56 CO -0.00 -0.44 0.22 1.67 -0.33 0.00 0.00 177.00 178.12 2k4r s TRP 57 N -1.67 0.05 0.24 6.54 1.48 -0.12 0.52 118.94 125.98 2k4r s TRP 57 Ca 0.63 -0.35 0.01 0.00 -1.06 0.00 0.00 56.10 55.33 2k4r s TRP 57 Cb -0.24 -0.01 -0.04 0.00 -1.16 0.00 0.00 33.47 32.02 2k4r s TRP 57 CO 0.29 -0.50 0.13 0.00 -4.06 0.00 0.00 176.95 172.82 2k4r s PHE 59 N -3.94 3.27 0.23 0.00 0.08 -1.26 -0.36 117.98 116.01 2k4r s PHE 59 Ca 0.38 0.38 0.08 0.00 0.12 0.00 0.00 56.93 57.89 2k4r s PHE 59 Cb 0.07 -2.49 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 2k4r s PHE 59 CO 0.14 -0.14 0.08 1.52 -0.10 0.00 0.00 175.22 176.73 2k4r s TYR 60 N 1.74 2.93 -0.08 0.36 -0.85 0.17 -0.49 117.35 121.14 2k4r s TYR 60 Ca 0.13 -0.14 0.04 0.00 -0.52 0.00 0.00 57.07 56.59 2k4r s TYR 60 Cb -0.15 -1.34 -0.00 0.00 0.38 0.00 0.00 41.96 40.84 2k4r s TYR 60 CO 0.09 0.55 -0.21 0.50 -1.52 0.00 0.00 175.55 174.96 2k4r s ARG 61 N -3.51 2.49 0.38 -3.49 3.52 -0.81 -1.00 118.95 116.53 2k4r s ARG 61 Ca 0.31 -0.75 0.08 0.00 -0.13 0.00 0.00 55.73 55.24 2k4r s ARG 61 Cb -0.08 -1.98 -0.04 0.00 -1.56 0.00 0.00 34.95 31.29 2k4r s ARG 61 CO 0.22 0.20 0.24 0.54 -0.81 0.00 0.00 175.30 175.68 2k4r s ASN 62 N 0.26 4.81 0.00 -2.12 2.20 -0.45 -4.59 114.94 115.04 2k4r s ASN 62 Ca -0.13 -0.80 0.12 0.00 -0.94 0.00 0.00 52.86 51.12 2k4r s ASN 62 Cb -0.16 -0.66 0.74 0.00 -2.00 0.00 0.00 41.25 39.17 2k4r s ASN 62 CO 0.06 -0.46 1.28 0.00 -2.94 0.00 0.00 177.10 175.04 2k4r n ALA 63 N -1.31 2.30 1.01 3.54 0.00 -1.26 -1.79 120.51 123.01 2k4r n ALA 63 Ca -0.01 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.47 2k4r n ALA 63 Cb 0.62 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.77 0.13 0.00 0.00 6.02 -1.26 -4.95 117.38 116.55 2k4r n GLN 64 Ca 0.09 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2k4r n GLN 64 Cb 0.04 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.80 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 1.49 0.69 3.92 1.08 0.00 -0.74 -5.09 105.19 106.54 2k4r n GLY 65 Ca 0.05 0.00 -0.27 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 -0.68 3.57 -0.30 1.61 1.02 -1.25 -4.93 119.74 118.77 2k4r s LYS 66 Ca 0.00 -0.19 -0.02 0.00 0.02 0.00 0.00 55.97 55.79 2k4r s LYS 66 Cb 0.00 -2.73 0.10 0.00 -0.52 0.00 0.00 37.83 34.68 2k4r s LYS 66 CO 0.00 0.29 0.11 0.08 -0.92 0.00 0.00 175.35 174.91 2k4r s VAL 67 N -2.01 0.53 0.00 3.17 1.01 -1.26 -1.35 120.40 120.49 2k4r s VAL 67 Ca 0.41 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2k4r s VAL 67 Cb -0.11 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2k4r s VAL 67 CO 0.30 -0.70 0.00 0.47 0.00 0.00 0.00 175.10 175.17 2k4r n ASP 68 N 4.97 1.78 -4.29 3.32 8.00 -0.17 -4.26 116.55 125.90 2k4r n ASP 68 Ca -0.03 -0.18 -0.20 0.00 0.71 0.00 0.00 54.79 55.08 2k4r n ASP 68 Cb 0.42 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.41 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 0.44 1.63 -0.03 1.24 1.48 -1.26 0.46 118.94 122.90 2k4r s TRP 69 Ca 0.00 -0.50 -0.12 0.00 -1.06 0.00 0.00 56.10 54.42 2k4r s TRP 69 Cb 0.00 -0.84 0.02 0.00 -1.16 0.00 0.00 33.47 31.49 2k4r s TRP 69 CO 0.00 0.24 0.27 0.20 -4.06 0.00 0.00 176.95 173.60 2k4r s GLY 70 N -2.49 -0.13 -0.04 3.67 0.00 0.52 -4.87 107.32 103.98 2k4r s GLY 70 Ca 0.12 0.35 -0.30 0.00 0.00 0.00 0.00 44.72 44.88 2k4r s GLY 70 CO 0.05 0.17 1.30 -0.19 0.00 0.00 0.00 173.10 174.43 2k4r s TYR 71 N -1.03 3.00 -0.06 1.90 2.02 -1.26 -1.77 117.35 120.15 2k4r s TYR 71 Ca -0.11 1.01 -0.06 0.00 -0.37 0.00 0.00 57.07 57.54 2k4r s TYR 71 Cb -0.05 -3.54 -0.24 0.00 -0.40 0.00 0.00 41.96 37.73 2k4r s TYR 71 CO 0.03 -1.88 3.54 0.00 -1.57 0.00 0.00 175.55 175.67 2k4r n ASP 73 N 2.35 0.00 0.00 0.00 2.03 -1.26 -2.98 116.55 116.68 2k4r n ASP 73 Ca 0.44 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.75 2k4r n ASP 73 Cb 0.88 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.28 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 -0.78 5.32 0.16 0.00 0.00 -1.26 -4.59 105.19 104.04 2k4r n GLY 75 Ca 0.00 -2.15 0.07 0.00 0.00 0.00 0.00 46.02 43.95 2k4r n GLY 75 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2k4r h GLN 76 N 4.65 0.00 0.00 1.61 3.07 -1.95 -3.47 115.11 119.02 2k4r h GLN 76 Ca 0.65 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.39 2k4r h GLN 76 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.90 2k4r h GLN 76 CO 1.44 0.20 0.00 0.41 0.09 0.00 0.00 178.83 180.97