#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 3.82 -0.20 0.00 0.00 0.00 -1.26 -5.11 105.19 102.44 2k4r n GLY 3 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.22 0.00 -2.15 4.61 0.00 -1.26 -4.98 120.51 113.51 2k4r n ALA 4 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2k4r n ALA 4 Cb 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 2k4r n ALA 4 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k4r s GLY 5 N -0.84 0.41 -0.19 0.00 0.00 -1.26 -4.72 107.32 100.72 2k4r s GLY 5 Ca 0.00 -2.21 -0.01 0.00 0.00 0.00 0.00 44.72 42.50 2k4r s GLY 5 CO 0.00 3.41 -0.12 1.85 0.00 0.00 0.00 173.10 178.24 2k4r s GLU 6 N 6.16 3.22 0.19 2.90 2.56 -1.26 -4.97 118.70 127.49 2k4r s GLU 6 Ca 0.66 -0.72 -0.32 0.00 0.00 0.00 0.00 54.97 54.59 2k4r s GLU 6 Cb -0.01 -2.76 -0.12 0.00 2.00 0.00 0.00 34.13 33.25 2k4r s GLU 6 CO 0.11 -0.12 1.75 -1.25 -0.56 0.00 0.00 175.26 175.19 2k4r s PRO 7 N 1.18 4.13 0.37 4.30 0.04 -1.10 -4.46 135.00 139.47 2k4r s PRO 7 Ca 0.02 2.61 0.24 0.00 0.04 0.00 0.00 61.00 63.90 2k4r s PRO 7 Cb -0.14 -3.20 0.40 0.00 0.04 0.00 0.00 34.50 31.60 2k4r s PRO 7 CO -0.05 -0.78 1.59 2.35 0.04 0.00 0.00 177.00 180.16 2k4r h TRP 8 N 7.23 0.00 0.00 0.56 7.01 -1.79 -3.48 115.95 125.48 2k4r h TRP 8 Ca -0.44 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.56 2k4r h TRP 8 Cb 1.20 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 2k4r h TRP 8 CO 0.68 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.74 2k4r n GLY 9 N 1.15 2.10 1.92 2.65 0.00 -1.26 -4.65 105.19 107.09 2k4r n GLY 9 Ca 0.04 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 1.64 3.77 -3.63 1.61 5.03 -1.26 -1.70 115.26 120.72 2k4r n ASN 10 Ca 0.00 -3.44 -0.14 0.00 0.87 0.00 0.00 54.58 51.88 2k4r n ASN 10 Cb 0.00 -0.39 -0.13 0.00 -1.02 0.00 0.00 39.78 38.24 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 -3.45 -0.58 -0.41 5.41 0.00 -1.26 -1.05 121.76 120.43 2k4r s ALA 11 Ca 0.45 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 2k4r s ALA 11 Cb 0.39 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.42 2k4r s ALA 11 CO 0.00 -0.73 1.50 0.95 0.00 0.00 0.00 175.76 177.48 2k4r s THR 12 N 2.43 3.80 -0.55 0.00 -4.23 0.15 -4.32 115.64 112.92 2k4r s THR 12 Ca 0.02 0.80 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 2k4r s THR 12 Cb -0.13 -4.10 0.00 0.00 1.34 0.00 0.00 72.50 69.62 2k4r s THR 12 CO -0.09 -0.71 0.00 -3.20 -0.54 0.00 0.00 174.62 170.07 2k4r n ASN 13 N 9.23 -1.69 0.00 3.99 4.05 -0.16 -2.20 115.26 128.48 2k4r n ASN 13 Ca 0.18 0.20 0.00 0.00 0.45 0.00 0.00 54.58 55.41 2k4r n ASN 13 Cb 0.48 -1.75 0.00 0.00 1.23 0.00 0.00 39.78 39.73 2k4r n ASN 13 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 2k4r n LEU 14 N -1.74 0.00 0.00 1.20 7.94 -1.25 -3.65 117.00 119.50 2k4r n LEU 14 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 2k4r n LEU 14 Cb 0.29 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.24 2k4r n LEU 14 CO 0.08 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.97 2k4r n GLY 15 N 0.00 -0.28 3.61 -3.96 0.00 -0.93 -5.08 105.19 98.55 2k4r n GLY 15 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.95 0.20 1.61 1.01 -1.22 -4.75 120.40 122.20 2k4r s VAL 16 Ca 0.00 0.96 -0.33 0.00 0.00 0.00 0.00 61.98 62.62 2k4r s VAL 16 Cb 0.00 -3.98 -0.14 0.00 0.00 0.00 0.00 36.38 32.26 2k4r s VAL 16 CO 0.00 -0.08 1.40 -2.65 0.00 0.00 0.00 175.10 173.76 2k4r n PRO 17 N 5.83 1.84 -2.27 2.72 -0.02 -1.25 0.34 135.00 142.19 2k4r n PRO 17 Ca -0.01 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 2k4r n PRO 17 Cb 0.49 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.87 2.97 0.14 0.00 2.96 0.20 -4.82 118.68 120.99 2k4r s LEU 19 Ca 0.61 0.85 -0.30 0.00 -0.22 0.00 0.00 54.13 55.07 2k4r s LEU 19 Cb -0.34 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 42.68 2k4r s LEU 19 CO 0.31 -1.33 1.04 -1.00 -1.32 0.00 0.00 176.35 174.05 2k4r s HIS 20 N -3.23 3.70 0.40 5.38 3.76 -1.26 -4.47 115.29 119.56 2k4r s HIS 20 Ca 0.57 1.69 0.15 0.00 -0.15 0.00 0.00 55.06 57.31 2k4r s HIS 20 Cb -0.11 -3.17 0.89 0.00 1.11 0.00 0.00 32.58 31.30 2k4r s HIS 20 CO 0.48 -0.24 1.91 -1.49 -0.85 0.00 0.00 174.74 174.56 2k4r h TRP 21 N 5.40 0.00 -0.00 1.40 4.06 -1.50 -0.65 115.95 124.66 2k4r h TRP 21 Ca -0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.52 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 0.64 0.27 -0.22 -3.47 -3.56 0.00 0.00 178.44 172.10 2k4r n ASP 22 N -4.14 0.23 -1.35 -3.49 2.03 -0.93 -3.48 116.55 105.41 2k4r n ASP 22 Ca -0.02 0.16 0.10 0.00 0.52 0.00 0.00 54.79 55.55 2k4r n ASP 22 Cb 0.33 -0.16 0.32 0.00 -0.72 0.00 0.00 41.12 40.88 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 -1.50 3.20 -2.29 -0.67 -0.58 -0.26 -4.92 120.64 113.62 2k4r n GLU 23 Ca 0.06 -2.70 -0.42 0.00 -0.42 0.00 0.00 57.16 53.68 2k4r n GLU 23 Cb 0.34 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.50 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 -1.44 3.98 0.49 2.62 1.01 -1.17 -4.90 120.40 120.99 2k4r s VAL 24 Ca 0.47 1.26 -0.23 0.00 0.00 0.00 0.00 61.98 63.47 2k4r s VAL 24 Cb 0.27 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 2k4r s VAL 24 CO 0.27 -0.07 1.35 -2.16 0.00 0.00 0.00 175.10 174.49 2k4r s PRO 25 N 3.11 3.48 0.61 2.72 0.04 -1.26 -4.90 135.00 138.81 2k4r s PRO 25 Ca 0.61 2.22 0.36 0.00 0.04 0.00 0.00 61.00 64.23 2k4r s PRO 25 Cb -0.27 -2.46 2.03 0.00 0.04 0.00 0.00 34.50 33.84 2k4r s PRO 25 CO 0.22 -0.91 2.27 -1.00 0.04 0.00 0.00 177.00 177.62 2k4r h PRO 26 N 1.94 0.00 -4.05 0.56 0.13 -2.00 -3.27 132.00 125.31 2k4r h PRO 26 Ca -0.51 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 63.89 2k4r h PRO 26 Cb 1.28 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.11 2k4r h PRO 26 CO 0.59 0.01 -0.27 -0.06 -0.23 0.00 0.00 178.00 178.05 2k4r s PHE 27 N -4.32 3.48 -0.15 1.56 0.08 -1.26 -5.06 117.98 112.30 2k4r s PHE 27 Ca -0.04 -2.01 -0.13 0.00 0.12 0.00 0.00 56.93 54.87 2k4r s PHE 27 Cb 0.14 -3.54 -0.05 0.00 -0.57 0.00 0.00 43.02 39.00 2k4r s PHE 27 CO 0.49 -0.97 0.26 -1.17 -0.10 0.00 0.00 175.22 173.74 2k4r s LEU 28 N 0.87 4.27 0.12 -0.37 2.96 -1.24 -4.99 118.68 120.30 2k4r s LEU 28 Ca 0.10 0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 54.40 2k4r s LEU 28 Cb -0.22 -2.32 -0.11 0.00 0.50 0.00 0.00 46.19 44.04 2k4r s LEU 28 CO -0.03 0.15 1.34 -0.33 -1.32 0.00 0.00 176.35 176.17 2k4r h GLU 29 N 6.40 0.74 -6.39 1.98 5.08 -1.93 -3.43 114.58 117.04 2k4r h GLU 29 Ca -0.43 -0.59 -0.54 0.00 -1.00 0.00 0.00 59.36 56.80 2k4r h GLU 29 Cb 1.17 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 2k4r h GLU 29 CO 0.73 1.20 -0.16 1.03 -1.00 0.00 0.00 179.01 180.81 2k4r s ARG 30 N -3.78 3.74 -0.21 2.33 1.81 -1.26 -5.07 118.95 116.51 2k4r s ARG 30 Ca -0.10 0.16 -0.12 0.00 -1.72 0.00 0.00 55.73 53.96 2k4r s ARG 30 Cb 0.09 -2.69 -0.05 0.00 -0.45 0.00 0.00 34.95 31.86 2k4r s ARG 30 CO 0.89 0.33 0.22 0.45 -0.68 0.00 0.00 175.30 176.52 2k4r s SER 31 N -2.49 6.26 0.28 0.23 0.15 -1.26 -4.93 113.70 111.94 2k4r s SER 31 Ca 0.46 0.29 -0.29 0.00 0.70 0.00 0.00 55.95 57.10 2k4r s SER 31 Cb -0.11 -2.14 -0.10 0.00 -1.71 0.00 0.00 66.02 61.96 2k4r s SER 31 CO 0.23 0.07 1.09 -2.16 1.20 0.00 0.00 173.24 173.67 2k4r s PRO 32 N 0.83 4.64 0.52 5.44 0.04 -1.26 -4.94 135.00 140.27 2k4r s PRO 32 Ca 0.11 1.78 0.26 0.00 0.04 0.00 0.00 61.00 63.20 2k4r s PRO 32 Cb -0.13 -3.18 1.44 0.00 0.04 0.00 0.00 34.50 32.68 2k4r s PRO 32 CO 0.03 0.22 2.08 -1.00 0.04 0.00 0.00 177.00 178.38 2k4r h PRO 33 N 3.80 0.00 -3.17 0.56 0.13 -2.02 -3.44 132.00 127.86 2k4r h PRO 33 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 2k4r h PRO 33 Cb 1.21 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 2k4r h PRO 33 CO 0.67 0.11 -0.33 0.00 -0.23 0.00 0.00 178.00 178.22 2k4r s ALA 34 N -4.30 -0.66 0.15 -0.56 0.00 -1.26 -5.12 121.76 110.01 2k4r s ALA 34 Ca -0.03 0.19 -0.32 0.00 0.00 0.00 0.00 51.96 51.80 2k4r s ALA 34 Cb 0.14 0.10 -0.11 0.00 0.00 0.00 0.00 23.12 23.24 2k4r s ALA 34 CO 0.59 -0.25 1.79 0.45 0.00 0.00 0.00 175.76 178.34 2k4r n SER 35 N 1.29 3.99 -0.98 0.00 2.88 -1.26 -4.88 113.62 114.65 2k4r n SER 35 Ca -0.22 1.01 0.08 0.00 -1.33 0.00 0.00 58.87 58.41 2k4r n SER 35 Cb 0.56 -1.55 0.24 0.00 -0.75 0.00 0.00 64.21 62.71 2k4r n SER 35 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2k4r n TRP 36 N 5.03 0.86 -0.34 0.66 4.27 -1.26 -4.47 117.44 122.19 2k4r n TRP 36 Ca 0.17 -0.61 0.03 0.00 -3.89 0.00 0.00 57.50 53.20 2k4r n TRP 36 Cb 0.36 -0.14 0.21 0.00 -1.36 0.00 0.00 31.31 30.38 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 2.64 1.46 0.00 -1.67 0.00 -2.02 -1.27 119.26 118.40 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 1.09 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2k4r h ALA 37 CO 0.11 0.40 0.00 -0.85 0.00 0.00 0.00 179.25 178.90 2k4r n GLU 38 N -4.50 0.01 0.24 0.00 0.28 -1.26 -2.50 120.64 112.91 2k4r n GLU 38 Ca 0.15 0.09 0.09 0.00 -0.16 0.00 0.00 57.16 57.33 2k4r n GLU 38 Cb 0.20 -1.50 0.61 0.00 1.43 0.00 0.00 31.44 32.17 2k4r n GLU 38 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2k4r h LEU 39 N 0.00 0.00 2.48 -1.84 3.38 -1.53 -3.46 115.31 114.34 2k4r h LEU 39 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2k4r h LEU 39 Cb 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2k4r h LEU 39 CO 0.00 0.17 -0.43 0.54 0.09 0.00 0.00 178.44 178.82 2k4r n ARG 40 N -3.89 -1.80 -0.26 1.13 5.12 -1.04 -4.81 116.66 111.11 2k4r n ARG 40 Ca -0.02 0.89 0.06 0.00 -1.93 0.00 0.00 57.85 56.85 2k4r n ARG 40 Cb 0.27 -5.47 0.19 0.00 -1.16 0.00 0.00 32.46 26.29 2k4r n ARG 40 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k4r n GLY 41 N -0.82 1.16 0.40 -0.13 0.00 -1.26 -4.62 105.19 99.93 2k4r n GLY 41 Ca -0.20 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 2.36 -0.24 -0.01 1.61 1.08 -1.87 -0.11 115.11 117.93 2k4r h GLN 42 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2k4r h GLN 42 Cb 0.68 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2k4r h GLN 42 CO 0.05 -0.16 0.06 -1.00 -0.95 0.00 0.00 178.83 176.83 2k4r h PRO 43 N -0.24 0.00 0.00 1.46 0.13 -1.96 -2.48 132.00 128.91 2k4r h PRO 43 Ca 0.16 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.21 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 -0.69 0.00 -0.07 -2.39 -0.23 0.00 0.00 178.00 174.62 2k4r n HIS 44 N -3.13 -0.07 -4.36 1.56 1.44 -0.05 -4.98 115.22 105.63 2k4r n HIS 44 Ca -0.03 -0.43 -0.23 0.00 -2.01 0.00 0.00 57.72 55.02 2k4r n HIS 44 Cb 0.13 0.03 -0.17 0.00 0.12 0.00 0.00 29.99 30.10 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 -1.38 1.57 0.00 4.39 4.22 -1.26 -1.92 114.94 120.57 2k4r s ASN 45 Ca 0.05 -0.24 0.00 0.00 -2.14 0.00 0.00 52.86 50.53 2k4r s ASN 45 Cb 0.00 -0.71 0.00 0.00 1.28 0.00 0.00 41.25 41.83 2k4r s ASN 45 CO 0.04 -0.02 0.00 0.33 -2.04 0.00 0.00 177.10 175.41 2k4r n PHE 46 N 4.05 0.00 -1.57 1.54 7.35 -1.26 -4.85 117.46 122.72 2k4r n PHE 46 Ca -0.22 0.00 -0.50 0.00 -0.76 0.00 0.00 57.45 55.98 2k4r n PHE 46 Cb 0.51 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.30 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 -0.29 0.81 -0.30 0.00 1.81 0.93 -4.77 118.95 117.14 2k4r s ARG 48 Ca 0.75 -1.00 -0.03 0.00 -1.72 0.00 0.00 55.73 53.73 2k4r s ARG 48 Cb -0.88 -0.72 0.19 0.00 -0.45 0.00 0.00 34.95 33.08 2k4r s ARG 48 CO 0.52 0.15 0.65 0.45 -0.68 0.00 0.00 175.30 176.39 2k4r s SER 49 N -1.93 -1.28 -0.12 0.23 0.15 -1.26 -0.26 113.70 109.22 2k4r s SER 49 Ca -0.00 0.85 -0.25 0.00 0.70 0.00 0.00 55.95 57.25 2k4r s SER 49 Cb -0.08 2.09 -0.22 0.00 -1.71 0.00 0.00 66.02 66.11 2k4r s SER 49 CO 0.02 -0.24 0.73 1.55 1.20 0.00 0.00 173.24 176.50 2k4r h PRO 50 N 8.00 -0.01 -2.16 5.44 0.13 -1.95 -3.48 132.00 137.96 2k4r h PRO 50 Ca -0.22 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.93 2k4r h PRO 50 Cb 1.16 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.11 2k4r h PRO 50 CO 0.22 0.78 0.34 0.16 -0.23 0.00 0.00 178.00 179.28 2k4r s ASP 51 N -6.04 -0.51 0.00 1.44 -4.77 -1.26 -5.08 116.67 100.44 2k4r s ASP 51 Ca -0.16 0.34 0.00 0.00 -3.30 0.00 0.00 52.55 49.43 2k4r s ASP 51 Cb -0.02 0.46 0.00 0.00 -1.09 0.00 0.00 42.92 42.27 2k4r s ASP 51 CO 0.59 -0.62 0.00 0.61 0.70 0.00 0.00 175.17 176.45 2k4r n GLY 52 N 0.36 -1.48 1.32 2.12 0.00 -1.26 -4.90 105.19 101.35 2k4r n GLY 52 Ca -0.14 0.63 0.08 0.00 0.00 0.00 0.00 46.02 46.58 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 3.26 -2.35 4.61 0.00 -1.26 -4.91 120.51 119.86 2k4r n ALA 53 Ca 0.00 -2.01 -0.15 0.00 0.00 0.00 0.00 53.44 51.29 2k4r n ALA 53 Cb 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.17 -0.22 2.88 0.00 0.00 -1.26 -5.01 105.19 101.75 2k4r n GLY 54 Ca 0.24 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.82 0.87 0.56 1.61 3.52 -1.26 -5.14 118.95 114.29 2k4r s ARG 55 Ca 0.03 -0.09 -0.18 0.00 -0.13 0.00 0.00 55.73 55.36 2k4r s ARG 55 Cb -0.01 -0.94 -0.05 0.00 -1.56 0.00 0.00 34.95 32.39 2k4r s ARG 55 CO 0.04 -0.13 1.09 -2.14 -0.81 0.00 0.00 175.30 173.36 2k4r s PRO 56 N 1.15 3.34 0.08 5.12 0.02 -1.26 -4.77 135.00 138.67 2k4r s PRO 56 Ca -0.07 1.45 -0.07 0.00 0.02 0.00 0.00 61.00 62.33 2k4r s PRO 56 Cb -0.14 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 2k4r s PRO 56 CO -0.01 -0.83 0.14 1.67 -0.33 0.00 0.00 177.00 177.64 2k4r s TRP 57 N -2.03 0.23 0.27 6.54 1.48 0.64 -0.30 118.94 125.77 2k4r s TRP 57 Ca 0.69 -0.68 0.03 0.00 -1.06 0.00 0.00 56.10 55.08 2k4r s TRP 57 Cb -0.20 -0.14 -0.03 0.00 -1.16 0.00 0.00 33.47 31.94 2k4r s TRP 57 CO 0.30 -0.50 0.23 0.00 -4.06 0.00 0.00 176.95 172.92 2k4r s PHE 59 N -3.74 3.41 0.03 0.00 0.08 -1.26 -0.23 117.98 116.27 2k4r s PHE 59 Ca 0.39 0.81 -0.05 0.00 0.12 0.00 0.00 56.93 58.20 2k4r s PHE 59 Cb 0.04 -2.64 -0.05 0.00 -0.57 0.00 0.00 43.02 39.81 2k4r s PHE 59 CO 0.20 -0.02 0.26 1.52 -0.10 0.00 0.00 175.22 177.08 2k4r s TYR 60 N 1.34 3.55 -0.19 0.36 -0.85 0.20 0.59 117.35 122.35 2k4r s TYR 60 Ca 0.25 0.49 -0.13 0.00 -0.52 0.00 0.00 57.07 57.16 2k4r s TYR 60 Cb -0.15 -1.94 -0.05 0.00 0.38 0.00 0.00 41.96 40.21 2k4r s TYR 60 CO 0.10 0.59 0.27 0.50 -1.52 0.00 0.00 175.55 175.49 2k4r s ARG 61 N -2.00 4.20 0.12 -3.49 3.52 -0.90 -2.29 118.95 118.11 2k4r s ARG 61 Ca 0.30 0.02 -0.12 0.00 -0.13 0.00 0.00 55.73 55.80 2k4r s ARG 61 Cb -0.13 -3.47 -0.06 0.00 -1.56 0.00 0.00 34.95 29.73 2k4r s ARG 61 CO 0.19 0.15 0.47 -0.80 -0.81 0.00 0.00 175.30 174.51 2k4r s ASN 62 N 0.69 6.72 0.00 -2.12 -0.87 -0.07 -4.71 114.94 114.58 2k4r s ASN 62 Ca 0.14 0.92 0.00 0.00 -1.57 0.00 0.00 52.86 52.36 2k4r s ASN 62 Cb -0.13 -2.23 0.00 0.00 -0.02 0.00 0.00 41.25 38.87 2k4r s ASN 62 CO 0.04 0.13 0.43 0.00 -2.57 0.00 0.00 177.10 175.13 2k4r n ALA 63 N 0.79 2.26 0.07 0.60 0.00 -1.26 -1.82 120.51 121.14 2k4r n ALA 63 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.39 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 0.09 2.35 0.00 0.00 6.02 -1.26 -4.98 117.38 119.60 2k4r n GLN 64 Ca 0.00 -0.34 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 2k4r n GLN 64 Cb 0.22 -0.83 0.00 0.00 1.02 0.00 0.00 30.24 30.64 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 0.49 1.04 3.91 1.08 0.00 -0.76 -5.09 105.19 105.87 2k4r n GLY 65 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.91 3.59 -0.12 1.61 1.02 -1.24 -4.93 119.74 118.75 2k4r s LYS 66 Ca 0.00 -0.10 -0.04 0.00 0.02 0.00 0.00 55.97 55.85 2k4r s LYS 66 Cb 0.00 -2.69 0.05 0.00 -0.52 0.00 0.00 37.83 34.68 2k4r s LYS 66 CO 0.00 0.24 0.09 0.08 -0.92 0.00 0.00 175.35 174.84 2k4r s VAL 67 N -2.07 -0.12 0.30 3.17 1.01 -1.26 -0.90 120.40 120.53 2k4r s VAL 67 Ca 0.42 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.50 2k4r s VAL 67 Cb -0.11 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 2k4r s VAL 67 CO 0.31 -0.10 0.10 -1.81 0.00 0.00 0.00 175.10 173.60 2k4r s ASP 68 N 2.17 1.68 0.09 3.32 1.01 -0.97 -3.63 116.67 120.33 2k4r s ASP 68 Ca 0.03 -1.45 0.02 0.00 0.71 0.00 0.00 52.55 51.87 2k4r s ASP 68 Cb -0.14 0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.93 2k4r s ASP 68 CO -0.07 -0.76 0.16 -1.66 0.21 0.00 0.00 175.17 173.05 2k4r s TRP 69 N -3.57 3.35 -0.07 4.23 1.48 -1.26 0.60 118.94 123.70 2k4r s TRP 69 Ca 0.36 0.14 -0.17 0.00 -1.06 0.00 0.00 56.10 55.37 2k4r s TRP 69 Cb 0.07 -1.67 0.04 0.00 -1.16 0.00 0.00 33.47 30.74 2k4r s TRP 69 CO 0.15 0.55 0.40 0.20 -4.06 0.00 0.00 176.95 174.18 2k4r s GLY 70 N -2.58 -0.26 0.72 3.67 0.00 0.68 -4.85 107.32 104.71 2k4r s GLY 70 Ca 0.32 0.74 -0.15 0.00 0.00 0.00 0.00 44.72 45.64 2k4r s GLY 70 CO 0.25 0.53 1.19 -0.19 0.00 0.00 0.00 173.10 174.88 2k4r s TYR 71 N -0.79 2.13 -0.93 1.90 2.02 -1.26 -1.66 117.35 118.76 2k4r s TYR 71 Ca -0.09 1.60 -0.02 0.00 -0.37 0.00 0.00 57.07 58.19 2k4r s TYR 71 Cb -0.04 -3.43 0.25 0.00 -0.40 0.00 0.00 41.96 38.35 2k4r s TYR 71 CO 0.04 -2.48 0.98 0.00 -1.57 0.00 0.00 175.55 172.52 2k4r n ASP 73 N 1.88 0.00 0.00 0.00 2.03 -1.26 -2.70 116.55 116.50 2k4r n ASP 73 Ca 0.24 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.55 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 2.30 -0.58 2.69 0.00 0.00 -1.24 -4.23 105.19 104.13 2k4r n GLY 75 Ca 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 46.02 46.43 2k4r n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k4r n GLN 76 N 0.37 1.23 0.00 1.61 -0.06 -1.26 -5.16 117.38 114.10 2k4r n GLN 76 Ca -0.02 -2.63 0.02 0.00 -2.00 0.00 0.00 57.00 52.38 2k4r n GLN 76 Cb 0.73 -0.73 0.02 0.00 -4.06 0.00 0.00 30.24 26.20 2k4r n GLN 76 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27