#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 -0.48 0.27 1.08 0.00 0.00 -1.26 -4.91 105.19 99.89 2k4r n GLY 3 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 2.43 -0.27 4.61 0.00 -1.26 -4.93 120.51 121.09 2k4r n ALA 4 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.49 2k4r n ALA 4 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.46 0.68 3.38 0.00 0.00 -1.26 -4.80 105.19 104.65 2k4r n GLY 5 Ca 0.19 -0.66 -0.45 0.00 0.00 0.00 0.00 46.02 45.10 2k4r n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4r s GLU 6 N -2.18 3.29 0.10 1.61 8.01 -1.21 -4.79 118.70 123.53 2k4r s GLU 6 Ca 0.00 -1.66 -0.27 0.00 0.01 0.00 0.00 54.97 53.05 2k4r s GLU 6 Cb 0.00 -4.45 -0.06 0.00 -4.31 0.00 0.00 34.13 25.31 2k4r s GLU 6 CO 0.00 -1.54 0.84 -1.25 0.01 0.00 0.00 175.26 173.32 2k4r s PRO 7 N 2.15 4.60 0.02 0.39 0.04 -1.11 -3.69 135.00 137.41 2k4r s PRO 7 Ca 0.18 1.23 -0.09 0.00 0.04 0.00 0.00 61.00 62.35 2k4r s PRO 7 Cb -0.17 -3.34 -0.31 0.00 0.04 0.00 0.00 34.50 30.72 2k4r s PRO 7 CO -0.01 0.33 0.95 2.35 0.04 0.00 0.00 177.00 180.67 2k4r h TRP 8 N 5.28 0.70 0.00 0.56 7.01 -1.80 -3.50 115.95 124.20 2k4r h TRP 8 Ca -0.44 -0.51 0.00 0.00 2.11 0.00 0.00 58.89 60.04 2k4r h TRP 8 Cb 1.21 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 2k4r h TRP 8 CO 0.65 1.47 0.00 0.41 -2.79 0.00 0.00 178.44 178.18 2k4r n GLY 9 N 1.68 1.86 0.59 2.65 0.00 -1.26 -4.80 105.19 105.90 2k4r n GLY 9 Ca -0.16 -0.47 0.06 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 0.00 1.73 -3.72 1.61 4.13 -1.26 -1.77 115.26 115.97 2k4r n ASN 10 Ca 0.00 -3.85 -0.23 0.00 1.68 0.00 0.00 54.58 52.18 2k4r n ASN 10 Cb 0.00 -0.52 -0.17 0.00 -1.54 0.00 0.00 39.78 37.54 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 -3.18 0.62 -0.20 5.41 0.00 -1.26 -0.07 121.76 123.07 2k4r s ALA 11 Ca 0.38 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.87 2k4r s ALA 11 Cb 0.37 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 2k4r s ALA 11 CO -0.07 -0.67 1.90 0.95 0.00 0.00 0.00 175.76 177.87 2k4r s THR 12 N 2.02 3.32 0.00 0.00 -4.23 0.15 -4.35 115.64 112.55 2k4r s THR 12 Ca 0.04 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 2k4r s THR 12 Cb -0.13 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.34 2k4r s THR 12 CO -0.06 -0.18 0.00 0.59 -0.54 0.00 0.00 174.62 174.43 2k4r n ASN 13 N 9.71 0.00 0.00 3.99 5.03 -0.64 -1.42 115.26 131.92 2k4r n ASN 13 Ca 0.23 0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.76 2k4r n ASN 13 Cb 0.45 0.00 0.43 0.00 -1.02 0.00 0.00 39.78 39.64 2k4r n ASN 13 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2k4r n LEU 14 N 0.00 0.00 0.00 3.41 7.94 -1.25 -4.52 117.00 122.58 2k4r n LEU 14 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k4r n LEU 14 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k4r n LEU 14 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2k4r n GLY 15 N 0.72 0.76 2.78 -3.96 0.00 -0.51 -5.14 105.19 99.85 2k4r n GLY 15 Ca 0.11 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.23 0.46 0.09 1.61 1.01 -1.06 -4.83 120.40 117.45 2k4r s VAL 16 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 61.98 61.61 2k4r s VAL 16 Cb 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 36.38 35.58 2k4r s VAL 16 CO 0.00 0.20 1.52 -0.81 0.00 0.00 0.00 175.10 176.01 2k4r n PRO 17 N 5.12 1.73 -2.23 2.72 -0.04 -1.25 0.32 135.00 141.36 2k4r n PRO 17 Ca -0.08 0.63 -0.42 0.00 -0.04 0.00 0.00 63.50 63.59 2k4r n PRO 17 Cb 0.50 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 2k4r n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4r s LEU 19 N 0.93 3.13 0.17 0.00 2.96 0.19 -4.82 118.68 121.24 2k4r s LEU 19 Ca 0.62 0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 54.88 2k4r s LEU 19 Cb -0.35 -3.43 -0.07 0.00 0.50 0.00 0.00 46.19 42.83 2k4r s LEU 19 CO 0.31 -1.20 1.06 -1.00 -1.32 0.00 0.00 176.35 174.20 2k4r s HIS 20 N -3.05 3.67 0.50 5.38 3.76 -1.26 -4.52 115.29 119.77 2k4r s HIS 20 Ca 0.55 1.67 0.20 0.00 -0.15 0.00 0.00 55.06 57.34 2k4r s HIS 20 Cb -0.11 -3.20 1.32 0.00 1.11 0.00 0.00 32.58 31.70 2k4r s HIS 20 CO 0.45 -0.34 2.11 -1.49 -0.85 0.00 0.00 174.74 174.61 2k4r h TRP 21 N 5.06 0.00 -0.00 1.40 4.06 -1.46 0.11 115.95 125.11 2k4r h TRP 21 Ca -0.44 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.51 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 0.63 0.08 -0.20 -3.47 -3.56 0.00 0.00 178.44 171.92 2k4r n ASP 22 N -4.19 0.26 -1.38 -3.49 2.03 -0.99 -3.46 116.55 105.31 2k4r n ASP 22 Ca -0.03 0.05 0.10 0.00 0.52 0.00 0.00 54.79 55.44 2k4r n ASP 22 Cb 0.16 -0.16 0.32 0.00 -0.72 0.00 0.00 41.12 40.73 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 -1.41 3.21 -2.75 -0.67 1.02 0.36 -4.90 120.64 115.50 2k4r n GLU 23 Ca 0.08 -2.72 -0.43 0.00 -0.02 0.00 0.00 57.16 54.07 2k4r n GLU 23 Cb 0.33 -1.70 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.43 4.71 0.40 2.62 1.01 -1.20 -4.92 120.40 121.59 2k4r s VAL 24 Ca 0.48 1.79 -0.25 0.00 0.00 0.00 0.00 61.98 64.00 2k4r s VAL 24 Cb 0.28 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 2k4r s VAL 24 CO 0.27 -0.19 1.18 -2.16 0.00 0.00 0.00 175.10 174.20 2k4r s PRO 25 N 3.13 4.06 0.50 2.72 0.04 -1.26 -4.94 135.00 139.25 2k4r s PRO 25 Ca 0.41 1.86 0.15 0.00 0.04 0.00 0.00 61.00 63.45 2k4r s PRO 25 Cb -0.15 -2.69 1.20 0.00 0.04 0.00 0.00 34.50 32.91 2k4r s PRO 25 CO 0.08 -0.32 2.13 -1.00 0.04 0.00 0.00 177.00 177.92 2k4r h PRO 26 N 2.65 0.06 -4.32 0.56 0.13 -2.00 -3.27 132.00 125.80 2k4r h PRO 26 Ca -0.49 -0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 63.89 2k4r h PRO 26 Cb 1.23 -0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 2k4r h PRO 26 CO 0.63 0.05 0.22 -0.06 -0.23 0.00 0.00 178.00 178.61 2k4r s PHE 27 N -5.07 3.38 0.07 1.56 0.08 -1.26 -5.03 117.98 111.70 2k4r s PHE 27 Ca -0.05 -1.53 0.04 0.00 0.12 0.00 0.00 56.93 55.51 2k4r s PHE 27 Cb 0.17 -3.96 -0.04 0.00 -0.57 0.00 0.00 43.02 38.62 2k4r s PHE 27 CO 0.68 -1.17 0.01 -1.17 -0.10 0.00 0.00 175.22 173.46 2k4r s LEU 28 N 1.49 3.50 0.04 -0.37 2.96 -1.24 -5.04 118.68 120.02 2k4r s LEU 28 Ca 0.18 -0.13 -0.26 0.00 -0.22 0.00 0.00 54.13 53.69 2k4r s LEU 28 Cb -0.15 -2.18 -0.17 0.00 0.50 0.00 0.00 46.19 44.19 2k4r s LEU 28 CO -0.04 0.19 1.45 -0.33 -1.32 0.00 0.00 176.35 176.31 2k4r h GLU 29 N 3.60 -0.34 -6.05 1.98 5.08 -1.93 -3.43 114.58 113.49 2k4r h GLU 29 Ca -0.48 0.02 -0.60 0.00 -1.00 0.00 0.00 59.36 57.30 2k4r h GLU 29 Cb 1.17 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 2k4r h GLU 29 CO 0.60 -0.09 -0.31 1.03 -1.00 0.00 0.00 179.01 179.24 2k4r s ARG 30 N -5.30 3.67 -0.05 2.33 1.81 -1.26 -5.09 118.95 115.06 2k4r s ARG 30 Ca -0.15 0.04 -0.17 0.00 -1.72 0.00 0.00 55.73 53.72 2k4r s ARG 30 Cb 0.03 -3.00 -0.05 0.00 -0.45 0.00 0.00 34.95 31.48 2k4r s ARG 30 CO 0.61 0.57 0.47 0.45 -0.68 0.00 0.00 175.30 176.72 2k4r s SER 31 N -1.87 6.78 0.45 0.23 0.15 -1.26 -4.90 113.70 113.29 2k4r s SER 31 Ca 0.33 0.93 -0.20 0.00 0.70 0.00 0.00 55.95 57.70 2k4r s SER 31 Cb -0.13 -2.29 -0.10 0.00 -1.71 0.00 0.00 66.02 61.79 2k4r s SER 31 CO 0.19 0.14 0.98 -2.16 1.20 0.00 0.00 173.24 173.58 2k4r s PRO 32 N -0.15 4.09 0.54 5.44 0.04 -1.26 -4.97 135.00 138.72 2k4r s PRO 32 Ca 0.26 1.16 0.31 0.00 0.04 0.00 0.00 61.00 62.77 2k4r s PRO 32 Cb -0.16 -2.15 1.51 0.00 0.04 0.00 0.00 34.50 33.73 2k4r s PRO 32 CO 0.13 -0.16 2.07 -1.35 0.04 0.00 0.00 177.00 177.72 2k4r h PRO 33 N 1.71 0.00 -2.86 0.56 0.11 -2.04 -3.45 132.00 126.03 2k4r h PRO 33 Ca -0.49 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.67 2k4r h PRO 33 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2k4r h PRO 33 CO 0.60 0.09 0.34 0.00 -0.21 0.00 0.00 178.00 178.83 2k4r s ALA 34 N -4.00 -1.06 -0.13 -0.75 0.00 -1.26 -5.11 121.76 109.44 2k4r s ALA 34 Ca -0.02 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 2k4r s ALA 34 Cb 0.12 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 2k4r s ALA 34 CO 0.56 -1.02 1.84 0.45 0.00 0.00 0.00 175.76 177.59 2k4r s SER 35 N -3.09 6.23 -0.08 0.00 0.15 -1.26 -4.85 113.70 110.80 2k4r s SER 35 Ca 0.16 2.02 0.17 0.00 0.70 0.00 0.00 55.95 58.99 2k4r s SER 35 Cb -0.05 -2.53 0.62 0.00 -1.71 0.00 0.00 66.02 62.36 2k4r s SER 35 CO 0.09 -1.32 1.51 -2.67 1.20 0.00 0.00 173.24 172.05 2k4r n TRP 36 N 8.75 1.22 0.27 3.44 4.27 -1.26 -4.00 117.44 130.13 2k4r n TRP 36 Ca 0.21 -0.50 0.10 0.00 -3.89 0.00 0.00 57.50 53.42 2k4r n TRP 36 Cb 0.44 -0.17 0.46 0.00 -1.36 0.00 0.00 31.31 30.67 2k4r n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2k4r n ALA 37 N 1.06 1.34 1.12 -1.67 0.00 -1.26 -0.97 120.51 120.13 2k4r n ALA 37 Ca 0.22 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.90 2k4r n ALA 37 Cb 0.74 -1.30 0.40 0.00 0.00 0.00 0.00 19.45 19.29 2k4r n ALA 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k4r n GLU 38 N -2.09 0.30 0.12 0.00 -0.58 -1.26 -3.61 120.64 113.51 2k4r n GLU 38 Ca 0.01 -0.14 -0.02 0.00 -0.42 0.00 0.00 57.16 56.58 2k4r n GLU 38 Cb 0.12 -1.50 0.17 0.00 -0.57 0.00 0.00 31.44 29.67 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 0.35 0.14 1.68 -4.62 3.38 -1.35 -3.47 115.31 111.41 2k4r h LEU 39 Ca 0.00 -0.07 -0.35 0.00 0.09 0.00 0.00 57.88 57.55 2k4r h LEU 39 Cb 0.47 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.20 2k4r h LEU 39 CO 0.00 0.67 -0.49 -1.14 0.09 0.00 0.00 178.44 177.58 2k4r n ARG 40 N -3.89 -2.76 -0.66 1.13 0.63 -1.24 -4.87 116.66 105.02 2k4r n ARG 40 Ca -0.02 0.82 0.08 0.00 -0.92 0.00 0.00 57.85 57.81 2k4r n ARG 40 Cb 0.58 -5.35 0.34 0.00 0.45 0.00 0.00 32.46 28.48 2k4r n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k4r n GLY 41 N -1.21 3.15 0.40 5.14 0.00 -1.26 -4.79 105.19 106.62 2k4r n GLY 41 Ca -0.16 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 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 3.39 -0.16 -0.01 1.61 1.08 -1.89 -0.78 115.11 118.35 2k4r h GLN 42 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2k4r h GLN 42 Cb 1.61 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 29.07 2k4r h GLN 42 CO 0.31 -0.11 0.08 -1.00 -0.95 0.00 0.00 178.83 177.16 2k4r h PRO 43 N -0.17 0.00 0.00 1.46 0.13 -1.96 -2.64 132.00 128.82 2k4r h PRO 43 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2k4r h PRO 43 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2k4r h PRO 43 CO -0.77 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 174.61 2k4r n HIS 44 N -3.18 0.00 -4.57 1.56 1.44 -0.30 -4.98 115.22 105.19 2k4r n HIS 44 Ca -0.02 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.47 2k4r n HIS 44 Cb 0.15 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.11 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 -0.69 1.55 0.00 4.39 4.22 -1.26 -1.81 114.94 121.34 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 -0.31 0.00 0.00 1.28 0.00 0.00 41.25 42.22 2k4r s ASN 45 CO 0.00 0.13 0.00 0.33 -2.04 0.00 0.00 177.10 175.52 2k4r n PHE 46 N 3.03 0.00 -1.64 1.54 7.35 -1.26 -4.90 117.46 121.57 2k4r n PHE 46 Ca -0.16 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.08 2k4r n PHE 46 Cb 0.55 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.35 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 -0.91 0.39 -0.30 0.00 1.81 0.51 -4.79 118.95 115.66 2k4r s ARG 48 Ca 0.65 0.09 -0.01 0.00 -1.72 0.00 0.00 55.73 54.74 2k4r s ARG 48 Cb -0.69 -0.63 0.19 0.00 -0.45 0.00 0.00 34.95 33.37 2k4r s ARG 48 CO 0.55 -0.18 0.70 -1.12 -0.68 0.00 0.00 175.30 174.56 2k4r s SER 49 N 1.33 -1.25 -0.05 0.23 0.01 -1.26 -2.21 113.70 110.49 2k4r s SER 49 Ca -0.05 0.48 -0.25 0.00 1.31 0.00 0.00 55.95 57.44 2k4r s SER 49 Cb -0.13 1.93 -0.23 0.00 0.21 0.00 0.00 66.02 67.79 2k4r s SER 49 CO -0.02 -0.23 1.03 -0.65 0.41 0.00 0.00 173.24 173.77 2k4r h PRO 50 N 7.93 0.16 0.00 12.44 0.11 -1.96 -3.44 132.00 147.24 2k4r h PRO 50 Ca -0.13 -0.17 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 2k4r h PRO 50 Cb 1.17 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2k4r h PRO 50 CO 0.14 0.91 0.16 -3.47 -0.21 0.00 0.00 178.00 175.53 2k4r n ASP 51 N -4.52 -1.63 0.00 -2.05 2.03 -1.26 -4.93 116.55 104.19 2k4r n ASP 51 Ca -0.10 -2.23 0.00 0.00 0.52 0.00 0.00 54.79 52.98 2k4r n ASP 51 Cb 0.50 2.74 0.00 0.00 -0.72 0.00 0.00 41.12 43.63 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 -0.41 2.62 0.00 0.27 0.00 -1.26 -4.56 105.19 101.85 2k4r n GLY 52 Ca -0.06 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.27 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 3.12 -0.98 4.61 0.00 -1.26 -4.98 120.51 121.01 2k4r n ALA 53 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2k4r n ALA 53 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 1.24 0.21 3.18 0.00 0.00 -1.26 -4.94 105.19 103.62 2k4r n GLY 54 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.18 0.26 0.47 1.61 3.52 -1.26 -4.73 118.95 117.64 2k4r s ARG 55 Ca 0.00 0.94 -0.25 0.00 -0.13 0.00 0.00 55.73 56.29 2k4r s ARG 55 Cb 0.00 0.21 -0.08 0.00 -1.56 0.00 0.00 34.95 33.52 2k4r s ARG 55 CO 0.00 -0.27 1.40 -0.35 -0.81 0.00 0.00 175.30 175.28 2k4r n PRO 56 N 5.38 2.11 -4.01 5.12 -0.04 -1.26 -4.80 135.00 137.50 2k4r n PRO 56 Ca -0.08 0.76 -0.08 0.00 -0.04 0.00 0.00 63.50 64.06 2k4r n PRO 56 Cb 0.49 -2.59 -0.09 0.00 -0.04 0.00 0.00 33.50 31.27 2k4r n PRO 56 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2k4r s TRP 57 N -1.21 0.39 0.23 0.54 1.48 -0.94 -0.15 118.94 119.28 2k4r s TRP 57 Ca 0.63 -0.89 0.01 0.00 -1.06 0.00 0.00 56.10 54.80 2k4r s TRP 57 Cb -0.45 -0.27 -0.04 0.00 -1.16 0.00 0.00 33.47 31.55 2k4r s TRP 57 CO 0.56 -0.43 0.17 0.00 -4.06 0.00 0.00 176.95 173.20 2k4r s PHE 59 N -3.97 3.41 0.08 0.00 0.08 -1.26 -0.53 117.98 115.80 2k4r s PHE 59 Ca 0.39 0.73 0.04 0.00 0.12 0.00 0.00 56.93 58.21 2k4r s PHE 59 Cb 0.06 -2.56 -0.04 0.00 -0.57 0.00 0.00 43.02 39.91 2k4r s PHE 59 CO 0.16 0.02 0.04 1.52 -0.10 0.00 0.00 175.22 176.86 2k4r s TYR 60 N 1.18 3.09 -0.11 0.36 -0.85 0.20 0.56 117.35 121.79 2k4r s TYR 60 Ca 0.22 0.03 -0.01 0.00 -0.52 0.00 0.00 57.07 56.78 2k4r s TYR 60 Cb -0.15 -1.58 -0.03 0.00 0.38 0.00 0.00 41.96 40.58 2k4r s TYR 60 CO 0.09 0.50 -0.06 0.50 -1.52 0.00 0.00 175.55 175.06 2k4r s ARG 61 N -2.35 3.21 -0.01 -3.49 3.52 -0.84 -2.01 118.95 116.97 2k4r s ARG 61 Ca 0.28 -0.55 -0.03 0.00 -0.13 0.00 0.00 55.73 55.30 2k4r s ARG 61 Cb -0.12 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 2k4r s ARG 61 CO 0.20 0.44 0.19 -0.80 -0.81 0.00 0.00 175.30 174.52 2k4r s ASN 62 N -0.20 6.38 0.00 -2.12 -0.87 0.50 -4.54 114.94 114.09 2k4r s ASN 62 Ca 0.03 0.38 0.04 0.00 -1.57 0.00 0.00 52.86 51.74 2k4r s ASN 62 Cb -0.13 -2.02 0.24 0.00 -0.02 0.00 0.00 41.25 39.33 2k4r s ASN 62 CO 0.03 0.27 0.77 0.00 -2.57 0.00 0.00 177.10 175.60 2k4r n ALA 63 N 1.02 2.09 0.82 0.60 0.00 -1.26 -1.43 120.51 122.35 2k4r n ALA 63 Ca -0.11 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.39 2k4r n ALA 63 Cb 0.53 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.61 1.35 0.00 0.00 3.00 -1.26 -4.96 117.38 114.90 2k4r n GLN 64 Ca 0.03 -0.40 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 2k4r n GLN 64 Cb 0.01 -1.34 0.00 0.00 0.00 0.00 0.00 30.24 28.92 2k4r n GLN 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k4r n GLY 65 N 1.34 1.15 3.89 1.08 0.00 -0.51 -5.10 105.19 107.04 2k4r n GLY 65 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.43 3.65 -0.27 1.61 1.02 -1.23 -4.92 119.74 119.17 2k4r s LYS 66 Ca 0.00 -0.03 -0.03 0.00 0.02 0.00 0.00 55.97 55.94 2k4r s LYS 66 Cb 0.00 -2.81 0.11 0.00 -0.52 0.00 0.00 37.83 34.61 2k4r s LYS 66 CO 0.00 0.43 0.21 0.08 -0.92 0.00 0.00 175.35 175.16 2k4r s VAL 67 N -1.70 -0.26 0.24 3.17 1.01 -1.26 -0.37 120.40 121.23 2k4r s VAL 67 Ca 0.42 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2k4r s VAL 67 Cb -0.12 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 2k4r s VAL 67 CO 0.24 -0.49 0.12 -1.81 0.00 0.00 0.00 175.10 173.16 2k4r s ASP 68 N 2.25 0.81 0.08 3.32 1.01 -0.85 -3.80 116.67 119.48 2k4r s ASP 68 Ca 0.08 -1.41 0.02 0.00 0.71 0.00 0.00 52.55 51.95 2k4r s ASP 68 Cb -0.15 0.29 -0.04 0.00 1.01 0.00 0.00 42.92 44.02 2k4r s ASP 68 CO -0.29 -0.80 0.12 -1.66 0.21 0.00 0.00 175.17 172.76 2k4r s TRP 69 N -3.90 3.29 -0.06 4.23 1.48 -1.26 0.63 118.94 123.35 2k4r s TRP 69 Ca 0.38 0.13 -0.16 0.00 -1.06 0.00 0.00 56.10 55.39 2k4r s TRP 69 Cb 0.07 -1.66 0.03 0.00 -1.16 0.00 0.00 33.47 30.75 2k4r s TRP 69 CO 0.14 0.54 0.38 0.20 -4.06 0.00 0.00 176.95 174.15 2k4r s GLY 70 N -2.46 -0.24 0.40 3.67 0.00 0.31 -4.90 107.32 104.10 2k4r s GLY 70 Ca 0.31 0.67 -0.26 0.00 0.00 0.00 0.00 44.72 45.44 2k4r s GLY 70 CO 0.24 0.46 1.29 -0.19 0.00 0.00 0.00 173.10 174.90 2k4r s TYR 71 N -0.86 2.85 -1.16 1.90 2.02 -1.26 -1.92 117.35 118.92 2k4r s TYR 71 Ca -0.09 1.42 -0.09 0.00 -0.37 0.00 0.00 57.07 57.94 2k4r s TYR 71 Cb -0.04 -3.65 0.24 0.00 -0.40 0.00 0.00 41.96 38.11 2k4r s TYR 71 CO 0.04 -2.03 1.41 0.00 -1.57 0.00 0.00 175.55 173.40 2k4r n ASP 73 N 3.29 0.00 0.00 0.00 2.03 -1.24 -2.73 116.55 117.90 2k4r n ASP 73 Ca 0.30 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.61 2k4r n ASP 73 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 2.07 0.46 2.56 0.00 0.00 -1.26 -3.83 105.19 105.19 2k4r n GLY 75 Ca 0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 0.47 0.31 0.00 1.61 2.00 -1.26 -5.05 119.66 117.75 2k4r s GLN 76 Ca 0.32 -0.69 0.00 0.00 -2.00 0.00 0.00 55.36 52.99 2k4r s GLN 76 Cb 0.07 -1.10 0.00 0.00 0.80 0.00 0.00 33.01 32.77 2k4r s GLN 76 CO -0.13 -1.08 0.19 0.41 -0.50 0.00 0.00 175.29 174.18