#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4r s GLY 3 N -1.96 0.38 -1.16 0.00 0.00 -1.26 -4.84 107.32 98.48 2k4r s GLY 3 Ca 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 44.72 45.05 2k4r s GLY 3 CO 0.19 0.86 0.79 0.00 0.00 0.00 0.00 173.10 174.94 2k4r n ALA 4 N 4.64 -2.45 0.00 3.20 0.00 -1.26 -4.12 120.51 120.52 2k4r n ALA 4 Ca -0.16 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2k4r n ALA 4 Cb 0.50 -4.06 0.00 0.00 0.00 0.00 0.00 19.45 15.89 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 -1.61 1.01 0.00 0.00 0.00 -1.26 -4.53 105.19 98.80 2k4r n GLY 5 Ca -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.18 0.25 -2.27 1.61 0.28 -1.26 -4.78 120.64 114.66 2k4r n GLU 6 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 2k4r n GLU 6 Cb 0.00 -0.62 -0.03 0.00 1.43 0.00 0.00 31.44 32.23 2k4r n GLU 6 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 2k4r s PRO 7 N -1.24 4.27 0.12 3.44 0.02 -1.23 -4.14 135.00 136.25 2k4r s PRO 7 Ca 0.00 1.89 0.27 0.00 0.02 0.00 0.00 61.00 63.18 2k4r s PRO 7 Cb 0.00 -3.66 0.87 0.00 0.02 0.00 0.00 34.50 31.72 2k4r s PRO 7 CO 0.00 -0.62 1.75 1.87 -0.33 0.00 0.00 177.00 179.67 2k4r n TRP 8 N 5.83 0.56 0.00 6.54 -0.00 -1.26 -4.77 117.44 124.34 2k4r n TRP 8 Ca 0.13 0.16 0.00 0.00 -0.00 0.00 0.00 57.50 57.80 2k4r n TRP 8 Cb 0.44 -0.74 0.00 0.00 -0.00 0.00 0.00 31.31 31.01 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 1.38 2.30 1.69 5.87 0.00 -1.26 -4.65 105.19 110.51 2k4r n GLY 9 Ca 0.06 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 1.30 3.60 -3.59 1.61 4.13 -1.26 -1.99 115.26 119.06 2k4r n ASN 10 Ca 0.00 -3.57 -0.12 0.00 1.68 0.00 0.00 54.58 52.57 2k4r n ASN 10 Cb 0.00 -0.40 -0.05 0.00 -1.54 0.00 0.00 39.78 37.79 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 -3.38 -1.17 -0.90 5.41 0.00 -1.26 0.33 121.76 120.79 2k4r s ALA 11 Ca 0.45 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 2k4r s ALA 11 Cb 0.39 0.56 -0.09 0.00 0.00 0.00 0.00 23.12 23.99 2k4r s ALA 11 CO -0.01 -0.59 2.07 0.25 0.00 0.00 0.00 175.76 177.49 2k4r n THR 12 N 0.08 2.30 0.00 0.00 -2.24 0.79 -4.24 114.28 110.97 2k4r n THR 12 Ca -0.17 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 2k4r n THR 12 Cb 0.62 -2.23 0.00 0.00 -2.10 0.00 0.00 70.33 66.62 2k4r n THR 12 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k4r n ASN 13 N 5.44 0.00 -1.42 3.42 0.23 -1.26 -0.75 115.26 120.92 2k4r n ASN 13 Ca 0.47 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.60 2k4r n ASN 13 Cb 0.24 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.28 2k4r n ASN 13 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2k4r n LEU 14 N 0.00 4.80 0.00 -4.53 7.94 -1.26 -4.86 117.00 119.09 2k4r n LEU 14 Ca 0.00 -2.86 0.00 0.00 -1.11 0.00 0.00 56.01 52.04 2k4r n LEU 14 Cb 0.00 -0.60 0.00 0.00 0.53 0.00 0.00 43.42 43.35 2k4r n LEU 14 CO 0.00 0.68 0.00 0.61 -1.11 0.00 0.00 177.39 177.57 2k4r n GLY 15 N 0.26 0.98 3.18 -3.96 0.00 0.07 -5.05 105.19 100.68 2k4r n GLY 15 Ca 0.24 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 0.75 1.56 0.66 1.61 1.01 -1.26 -4.81 120.40 119.92 2k4r s VAL 16 Ca 0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 2k4r s VAL 16 Cb 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 2k4r s VAL 16 CO 0.00 0.44 1.21 -0.81 0.00 0.00 0.00 175.10 175.95 2k4r n PRO 17 N 2.89 0.96 -2.94 2.72 -0.04 -1.26 -0.15 135.00 137.18 2k4r n PRO 17 Ca -0.17 0.38 -0.41 0.00 -0.04 0.00 0.00 63.50 63.27 2k4r n PRO 17 Cb 0.53 -2.45 -0.04 0.00 -0.04 0.00 0.00 33.50 31.50 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 1.39 2.58 0.13 0.00 2.96 0.17 -4.77 118.68 121.14 2k4r s LEU 19 Ca 0.40 1.14 -0.30 0.00 -0.22 0.00 0.00 54.13 55.14 2k4r s LEU 19 Cb -0.18 -3.74 -0.07 0.00 0.50 0.00 0.00 46.19 42.71 2k4r s LEU 19 CO 0.17 -1.87 1.09 -1.00 -1.32 0.00 0.00 176.35 173.41 2k4r s HIS 20 N -3.29 3.60 0.44 5.38 3.76 -1.26 -4.48 115.29 119.44 2k4r s HIS 20 Ca 0.61 1.58 0.17 0.00 -0.15 0.00 0.00 55.06 57.27 2k4r s HIS 20 Cb -0.13 -3.25 1.07 0.00 1.11 0.00 0.00 32.58 31.38 2k4r s HIS 20 CO 0.53 -0.55 2.00 -1.49 -0.85 0.00 0.00 174.74 174.37 2k4r h TRP 21 N 5.64 0.00 -0.00 1.40 4.06 -1.43 0.45 115.95 126.07 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 0.19 -0.16 -3.47 -3.56 0.00 0.00 178.44 172.08 2k4r n ASP 22 N -4.16 0.49 -1.77 -3.49 2.03 -0.75 -3.64 116.55 105.26 2k4r n ASP 22 Ca -0.02 -0.48 0.04 0.00 0.52 0.00 0.00 54.79 54.85 2k4r n ASP 22 Cb 0.26 -0.06 0.36 0.00 -0.72 0.00 0.00 41.12 40.96 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 -1.02 4.33 -3.01 -0.67 -0.58 0.15 -4.92 120.64 114.91 2k4r n GLU 23 Ca 0.13 -3.11 -0.41 0.00 -0.42 0.00 0.00 57.16 53.34 2k4r n GLU 23 Cb 0.30 -2.20 -0.05 0.00 -0.57 0.00 0.00 31.44 28.92 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 -2.85 4.94 0.59 2.62 1.01 -1.24 -4.90 120.40 120.57 2k4r s VAL 24 Ca 0.53 1.37 -0.20 0.00 0.00 0.00 0.00 61.98 63.68 2k4r s VAL 24 Cb 0.41 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2k4r s VAL 24 CO 0.14 0.03 1.27 -2.16 0.00 0.00 0.00 175.10 174.38 2k4r s PRO 25 N 2.32 2.94 0.57 2.72 0.04 -1.26 -4.91 135.00 137.42 2k4r s PRO 25 Ca 0.32 2.00 0.26 0.00 0.04 0.00 0.00 61.00 63.62 2k4r s PRO 25 Cb -0.16 -2.02 1.65 0.00 0.04 0.00 0.00 34.50 34.01 2k4r s PRO 25 CO 0.10 -1.28 2.21 -1.00 0.04 0.00 0.00 177.00 177.07 2k4r h PRO 26 N 1.02 0.00 -4.63 0.56 0.13 -2.01 -3.32 132.00 123.76 2k4r h PRO 26 Ca -0.51 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.94 2k4r h PRO 26 Cb 1.31 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.08 2k4r h PRO 26 CO 0.55 0.00 -0.64 -0.06 -0.23 0.00 0.00 178.00 177.62 2k4r s PHE 27 N -4.76 3.53 0.15 1.56 0.08 -1.26 -5.10 117.98 112.17 2k4r s PHE 27 Ca -0.05 -2.40 -0.02 0.00 0.12 0.00 0.00 56.93 54.58 2k4r s PHE 27 Cb 0.16 -2.80 -0.05 0.00 -0.57 0.00 0.00 43.02 39.76 2k4r s PHE 27 CO 0.58 -0.92 0.35 -1.17 -0.10 0.00 0.00 175.22 173.96 2k4r s LEU 28 N 1.12 4.27 -0.02 -0.37 2.96 -1.25 -5.02 118.68 120.36 2k4r s LEU 28 Ca 0.04 0.46 -0.25 0.00 -0.22 0.00 0.00 54.13 54.16 2k4r s LEU 28 Cb -0.21 -3.19 -0.20 0.00 0.50 0.00 0.00 46.19 43.09 2k4r s LEU 28 CO -0.04 0.04 1.24 -0.33 -1.32 0.00 0.00 176.35 175.94 2k4r h GLU 29 N 2.59 0.09 -5.87 1.98 5.08 -1.95 -3.44 114.58 113.06 2k4r h GLU 29 Ca -0.46 -0.05 -0.63 0.00 -1.00 0.00 0.00 59.36 57.21 2k4r h GLU 29 Cb 1.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 2k4r h GLU 29 CO 0.72 0.60 -0.42 1.03 -1.00 0.00 0.00 179.01 179.94 2k4r s ARG 30 N -4.06 3.53 -0.20 2.33 1.81 -1.26 -5.08 118.95 116.01 2k4r s ARG 30 Ca -0.16 -0.16 -0.18 0.00 -1.72 0.00 0.00 55.73 53.51 2k4r s ARG 30 Cb 0.02 -3.08 -0.03 0.00 -0.45 0.00 0.00 34.95 31.41 2k4r s ARG 30 CO 0.70 0.66 0.50 0.45 -0.68 0.00 0.00 175.30 176.93 2k4r s SER 31 N -1.79 6.55 0.34 0.23 0.15 -1.26 -4.89 113.70 113.03 2k4r s SER 31 Ca 0.27 0.65 -0.29 0.00 0.70 0.00 0.00 55.95 57.29 2k4r s SER 31 Cb -0.13 -2.29 -0.11 0.00 -1.71 0.00 0.00 66.02 61.79 2k4r s SER 31 CO 0.17 -0.17 1.38 -2.16 1.20 0.00 0.00 173.24 173.66 2k4r s PRO 32 N 1.61 4.26 0.61 5.44 0.04 -1.26 -4.91 135.00 140.79 2k4r s PRO 32 Ca 0.23 2.35 0.36 0.00 0.04 0.00 0.00 61.00 63.99 2k4r s PRO 32 Cb -0.15 -3.04 2.00 0.00 0.04 0.00 0.00 34.50 33.36 2k4r s PRO 32 CO 0.09 -0.33 2.27 -1.00 0.04 0.00 0.00 177.00 178.07 2k4r h PRO 33 N 3.35 0.00 -3.56 0.56 0.13 -2.03 -3.44 132.00 127.01 2k4r h PRO 33 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 2k4r h PRO 33 Cb 1.23 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 2k4r h PRO 33 CO 0.66 0.02 -0.25 0.00 -0.23 0.00 0.00 178.00 178.19 2k4r s ALA 34 N -4.31 -0.54 -0.11 -0.56 0.00 -1.26 -5.11 121.76 109.87 2k4r s ALA 34 Ca -0.04 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.33 2k4r s ALA 34 Cb 0.14 0.51 -0.06 0.00 0.00 0.00 0.00 23.12 23.70 2k4r s ALA 34 CO 0.49 -0.52 2.05 0.45 0.00 0.00 0.00 175.76 178.24 2k4r s SER 35 N -2.64 5.97 0.00 0.00 0.15 -1.26 -4.85 113.70 111.07 2k4r s SER 35 Ca 0.02 2.21 0.23 0.00 0.70 0.00 0.00 55.95 59.11 2k4r s SER 35 Cb 0.03 -2.52 0.46 0.00 -1.71 0.00 0.00 66.02 62.28 2k4r s SER 35 CO -0.09 -1.50 1.42 -2.67 1.20 0.00 0.00 173.24 171.60 2k4r n TRP 36 N 9.58 0.48 -0.35 3.44 4.27 -1.26 -4.33 117.44 129.28 2k4r n TRP 36 Ca 0.24 -0.24 0.13 0.00 -3.89 0.00 0.00 57.50 53.74 2k4r n TRP 36 Cb 0.43 0.00 0.33 0.00 -1.36 0.00 0.00 31.31 30.72 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 4.47 1.71 -0.38 -1.67 0.00 -2.01 0.16 119.26 121.55 2k4r h ALA 37 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k4r h ALA 37 Cb 0.94 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2k4r h ALA 37 CO 0.00 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.57 2k4r n GLU 38 N -4.74 3.53 0.18 0.00 1.02 -1.26 -3.34 120.64 116.03 2k4r n GLU 38 Ca 0.23 -2.05 0.04 0.00 -0.02 0.00 0.00 57.16 55.36 2k4r n GLU 38 Cb 0.57 -1.99 0.33 0.00 -0.02 0.00 0.00 31.44 30.33 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 2.60 0.00 2.23 -4.62 3.38 -0.95 -3.47 115.31 114.48 2k4r h LEU 39 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 2k4r h LEU 39 Cb 1.46 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.21 2k4r h LEU 39 CO 0.32 0.41 -0.54 0.54 0.09 0.00 0.00 178.44 179.26 2k4r n ARG 40 N -3.71 -2.64 -0.65 1.13 1.74 -1.21 -4.85 116.66 106.46 2k4r n ARG 40 Ca -0.01 0.94 0.04 0.00 -0.77 0.00 0.00 57.85 58.05 2k4r n ARG 40 Cb 0.49 -5.62 0.27 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 -1.18 4.02 0.42 -0.13 0.00 -1.26 -4.82 105.19 102.24 2k4r n GLY 41 Ca -0.20 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 2.03 -0.37 -0.01 1.61 1.08 -1.88 -1.01 115.11 116.56 2k4r h GLN 42 Ca 0.09 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2k4r h GLN 42 Cb 1.70 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 29.22 2k4r h GLN 42 CO 0.37 -0.24 0.07 -1.00 -0.95 0.00 0.00 178.83 177.08 2k4r h PRO 43 N -0.38 0.00 0.00 1.46 0.13 -1.96 -2.00 132.00 129.25 2k4r h PRO 43 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 2k4r h PRO 43 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 2k4r h PRO 43 CO -0.57 0.00 -0.03 -2.39 -0.23 0.00 0.00 178.00 174.78 2k4r n HIS 44 N -3.18 0.00 -4.47 1.56 1.44 -0.38 -4.96 115.22 105.22 2k4r n HIS 44 Ca -0.02 -0.19 -0.20 0.00 -2.01 0.00 0.00 57.72 55.29 2k4r n HIS 44 Cb 0.14 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 -1.18 1.31 0.00 4.39 4.22 -1.26 -1.77 114.94 120.65 2k4r s ASN 45 Ca 0.02 -0.20 0.00 0.00 -2.14 0.00 0.00 52.86 50.53 2k4r s ASN 45 Cb 0.00 -0.20 0.00 0.00 1.28 0.00 0.00 41.25 42.33 2k4r s ASN 45 CO 0.01 0.12 0.00 0.33 -2.04 0.00 0.00 177.10 175.52 2k4r n PHE 46 N 2.93 0.00 -1.58 1.54 7.35 -1.26 -4.88 117.46 121.55 2k4r n PHE 46 Ca -0.15 0.00 -0.50 0.00 -0.76 0.00 0.00 57.45 56.04 2k4r n PHE 46 Cb 0.56 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.34 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 -0.16 0.40 -0.30 0.00 1.81 0.19 -4.82 118.95 116.08 2k4r s ARG 48 Ca 0.76 -0.45 -0.06 0.00 -1.72 0.00 0.00 55.73 54.26 2k4r s ARG 48 Cb -0.89 -0.24 0.16 0.00 -0.45 0.00 0.00 34.95 33.53 2k4r s ARG 48 CO 0.51 0.05 0.65 -1.54 -0.68 0.00 0.00 175.30 174.29 2k4r s SER 49 N -0.87 -1.23 -0.11 0.23 1.04 -1.26 -1.10 113.70 110.39 2k4r s SER 49 Ca -0.06 1.22 -0.28 0.00 0.48 0.00 0.00 55.95 57.32 2k4r s SER 49 Cb -0.06 2.21 -0.25 0.00 0.10 0.00 0.00 66.02 68.02 2k4r s SER 49 CO -0.00 -0.23 0.86 -0.65 0.98 0.00 0.00 173.24 174.20 2k4r h PRO 50 N 7.99 0.04 0.00 4.02 0.11 -1.94 -3.48 132.00 138.73 2k4r h PRO 50 Ca -0.20 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2k4r h PRO 50 Cb 1.13 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2k4r h PRO 50 CO 0.17 0.95 0.00 -3.47 -0.21 0.00 0.00 178.00 175.43 2k4r n ASP 51 N -4.60 3.02 0.00 -2.05 2.03 -1.26 -4.96 116.55 108.73 2k4r n ASP 51 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2k4r n ASP 51 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 2.08 0.00 0.27 0.00 -1.26 -3.88 105.19 102.40 2k4r n GLY 52 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.75 -0.97 4.61 0.00 -1.26 -4.98 120.51 118.66 2k4r n ALA 53 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2k4r n ALA 53 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.47 3.44 0.00 0.00 -1.25 -5.00 105.19 102.85 2k4r n GLY 54 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.41 3.57 0.51 1.61 3.52 -1.26 -5.07 118.95 121.42 2k4r s ARG 55 Ca 0.00 -0.56 -0.19 0.00 -0.13 0.00 0.00 55.73 54.84 2k4r s ARG 55 Cb 0.00 -2.90 -0.07 0.00 -1.56 0.00 0.00 34.95 30.42 2k4r s ARG 55 CO 0.00 0.14 1.05 -1.25 -0.81 0.00 0.00 175.30 174.44 2k4r s PRO 56 N 0.60 3.66 0.09 5.12 0.04 -1.26 -4.77 135.00 138.48 2k4r s PRO 56 Ca -0.03 1.37 -0.09 0.00 0.04 0.00 0.00 61.00 62.29 2k4r s PRO 56 Cb -0.15 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 2k4r s PRO 56 CO 0.03 -0.55 0.19 1.67 0.04 0.00 0.00 177.00 178.37 2k4r s TRP 57 N -2.03 0.15 0.24 0.56 1.48 -0.26 -1.02 118.94 118.07 2k4r s TRP 57 Ca 0.67 -0.58 0.01 0.00 -1.06 0.00 0.00 56.10 55.15 2k4r s TRP 57 Cb -0.17 -0.06 -0.04 0.00 -1.16 0.00 0.00 33.47 32.04 2k4r s TRP 57 CO 0.24 -0.54 0.18 0.00 -4.06 0.00 0.00 176.95 172.77 2k4r s PHE 59 N -3.95 3.33 0.07 0.00 0.08 -1.26 -0.23 117.98 116.02 2k4r s PHE 59 Ca 0.39 0.71 -0.08 0.00 0.12 0.00 0.00 56.93 58.07 2k4r s PHE 59 Cb 0.05 -2.69 -0.05 0.00 -0.57 0.00 0.00 43.02 39.76 2k4r s PHE 59 CO 0.16 -0.18 0.35 1.52 -0.10 0.00 0.00 175.22 176.98 2k4r s TYR 60 N 1.92 3.56 -0.17 0.36 -0.85 0.22 0.41 117.35 122.81 2k4r s TYR 60 Ca 0.23 0.68 -0.05 0.00 -0.52 0.00 0.00 57.07 57.41 2k4r s TYR 60 Cb -0.15 -2.08 -0.03 0.00 0.38 0.00 0.00 41.96 40.08 2k4r s TYR 60 CO 0.09 0.54 -0.00 0.50 -1.52 0.00 0.00 175.55 175.16 2k4r s ARG 61 N -1.98 3.75 -0.01 -3.49 3.52 -0.80 -2.15 118.95 117.80 2k4r s ARG 61 Ca 0.32 -0.47 -0.03 0.00 -0.13 0.00 0.00 55.73 55.43 2k4r s ARG 61 Cb -0.13 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 2k4r s ARG 61 CO 0.19 0.22 0.18 -0.80 -0.81 0.00 0.00 175.30 174.28 2k4r s ASN 62 N 0.45 6.37 0.00 -2.12 -0.87 -0.07 -4.62 114.94 114.09 2k4r s ASN 62 Ca -0.01 0.34 0.08 0.00 -1.57 0.00 0.00 52.86 51.71 2k4r s ASN 62 Cb -0.14 -2.00 0.50 0.00 -0.02 0.00 0.00 41.25 39.60 2k4r s ASN 62 CO 0.02 0.26 1.00 0.00 -2.57 0.00 0.00 177.10 175.81 2k4r n ALA 63 N 0.91 2.13 0.06 0.60 0.00 -1.26 -1.78 120.51 121.17 2k4r n ALA 63 Ca -0.11 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.34 2k4r n ALA 63 Cb 0.52 -1.14 0.11 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.73 1.99 -0.08 0.00 3.00 -1.26 -4.96 117.38 115.34 2k4r n GLN 64 Ca 0.06 -1.69 0.00 0.00 -0.01 0.00 0.00 57.00 55.36 2k4r n GLN 64 Cb 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 30.24 29.03 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 0.52 0.96 3.90 1.08 0.00 -0.73 -5.08 105.19 105.84 2k4r n GLY 65 Ca 0.09 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.85 3.64 -0.25 1.61 1.02 -1.24 -4.93 119.74 118.74 2k4r s LYS 66 Ca 0.00 -0.02 -0.02 0.00 0.02 0.00 0.00 55.97 55.95 2k4r s LYS 66 Cb 0.00 -2.69 0.11 0.00 -0.52 0.00 0.00 37.83 34.73 2k4r s LYS 66 CO 0.00 0.28 0.26 0.08 -0.92 0.00 0.00 175.35 175.05 2k4r s VAL 67 N -1.98 -0.36 0.22 3.17 1.01 -1.26 -0.89 120.40 120.31 2k4r s VAL 67 Ca 0.43 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2k4r s VAL 67 Cb -0.11 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2k4r s VAL 67 CO 0.28 -0.35 0.09 -1.81 0.00 0.00 0.00 175.10 173.31 2k4r s ASP 68 N 2.34 0.89 0.06 3.32 1.01 -0.91 -3.95 116.67 119.43 2k4r s ASP 68 Ca 0.09 -1.34 -0.03 0.00 0.71 0.00 0.00 52.55 51.98 2k4r s ASP 68 Cb -0.15 0.22 -0.05 0.00 1.01 0.00 0.00 42.92 43.95 2k4r s ASP 68 CO -0.23 -0.73 0.26 -1.66 0.21 0.00 0.00 175.17 173.03 2k4r s TRP 69 N -3.85 3.52 -0.03 4.23 1.48 -1.26 0.70 118.94 123.72 2k4r s TRP 69 Ca 0.35 0.41 -0.13 0.00 -1.06 0.00 0.00 56.10 55.67 2k4r s TRP 69 Cb 0.07 -1.88 0.02 0.00 -1.16 0.00 0.00 33.47 30.52 2k4r s TRP 69 CO 0.11 0.56 0.29 0.20 -4.06 0.00 0.00 176.95 174.04 2k4r s GLY 70 N -2.26 -0.14 0.21 3.67 0.00 0.68 -4.87 107.32 104.60 2k4r s GLY 70 Ca 0.34 0.39 -0.30 0.00 0.00 0.00 0.00 44.72 45.15 2k4r s GLY 70 CO 0.24 0.21 1.14 -0.19 0.00 0.00 0.00 173.10 174.49 2k4r s TYR 71 N -1.01 3.52 -1.43 1.90 2.02 -1.26 -1.77 117.35 119.33 2k4r s TYR 71 Ca -0.11 1.56 -0.12 0.00 -0.37 0.00 0.00 57.07 58.03 2k4r s TYR 71 Cb -0.05 -3.34 0.06 0.00 -0.40 0.00 0.00 41.96 38.24 2k4r s TYR 71 CO 0.03 -0.81 2.22 0.00 -1.57 0.00 0.00 175.55 175.41 2k4r s ASP 73 N 2.43 0.22 0.00 0.00 -1.08 -1.26 -3.47 116.67 113.52 2k4r s ASP 73 Ca 0.47 0.61 0.19 0.00 -0.52 0.00 0.00 52.55 53.31 2k4r s ASP 73 Cb 0.13 0.69 1.04 0.00 -1.46 0.00 0.00 42.92 43.32 2k4r s ASP 73 CO -0.06 -0.23 1.57 0.00 0.52 0.00 0.00 175.17 176.97 2k4r n GLY 75 N 0.28 1.01 0.00 0.00 0.00 -1.26 -4.33 105.19 100.89 2k4r n GLY 75 Ca 0.11 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 0.96 1.40 0.00 1.61 -0.06 -0.52 -5.22 117.38 115.55 2k4r n GLN 76 Ca 0.12 -0.07 0.12 0.00 -2.00 0.00 0.00 57.00 55.18 2k4r n GLN 76 Cb 0.45 -1.24 0.20 0.00 -4.06 0.00 0.00 30.24 25.58 2k4r n GLN 76 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27