#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 0.63 0.90 3.66 0.00 0.00 -1.26 -4.74 105.19 104.39 2k4r n GLY 3 Ca 0.04 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.94 0.00 4.61 0.00 -1.26 -4.44 120.51 117.48 2k4r n ALA 4 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k4r n ALA 4 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.11 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 -1.51 0.42 3.55 0.00 0.00 -1.26 -5.10 105.19 101.28 2k4r n GLY 5 Ca -0.26 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 2k4r n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k4r n GLU 6 N 0.00 -1.09 0.00 1.61 4.71 -1.26 -4.58 120.64 120.03 2k4r n GLU 6 Ca 0.00 -1.95 0.00 0.00 -0.01 0.00 0.00 57.16 55.20 2k4r n GLU 6 Cb 0.00 -1.20 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 2k4r n GLU 6 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2k4r n PRO 7 N -3.51 0.00 -3.32 3.49 -0.02 -1.26 -4.83 135.00 125.55 2k4r n PRO 7 Ca 0.15 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.25 2k4r n PRO 7 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.95 2k4r n PRO 7 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2k4r s TRP 8 N 0.00 3.67 0.15 6.00 -0.00 -1.24 -4.94 118.94 122.58 2k4r s TRP 8 Ca 0.00 1.08 -0.28 0.00 -0.00 0.00 0.00 56.10 56.90 2k4r s TRP 8 Cb 0.00 -2.49 -0.05 0.00 -0.00 0.00 0.00 33.47 30.93 2k4r s TRP 8 CO 0.00 0.42 1.43 0.41 -0.00 0.00 0.00 176.95 179.21 2k4r n GLY 9 N 2.36 -2.38 2.25 5.86 0.00 -1.26 -1.75 105.19 110.27 2k4r n GLY 9 Ca -0.09 1.10 -0.26 0.00 0.00 0.00 0.00 46.02 46.76 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 -5.17 5.10 -3.59 1.61 5.03 -1.26 -1.97 115.26 115.00 2k4r n ASN 10 Ca 0.02 -3.74 -0.13 0.00 0.87 0.00 0.00 54.58 51.60 2k4r n ASN 10 Cb 0.25 -0.45 -0.05 0.00 -1.02 0.00 0.00 39.78 38.51 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 -3.61 -1.24 -1.06 5.41 0.00 -0.71 -0.38 121.76 120.16 2k4r s ALA 11 Ca 0.51 0.47 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 2k4r s ALA 11 Cb 0.41 0.43 -0.11 0.00 0.00 0.00 0.00 23.12 23.86 2k4r s ALA 11 CO -0.07 -0.52 2.72 0.25 0.00 0.00 0.00 175.76 178.14 2k4r n THR 12 N 0.33 3.34 0.00 0.00 -2.24 0.07 -3.73 114.28 112.05 2k4r n THR 12 Ca -0.18 -1.94 0.00 0.00 -2.27 0.00 0.00 64.05 59.66 2k4r n THR 12 Cb 0.61 -2.32 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 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 3.57 0.00 -0.62 3.42 6.94 -1.26 -0.78 115.26 126.53 2k4r n ASN 13 Ca 0.59 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 55.25 2k4r n ASN 13 Cb 0.31 0.00 0.33 0.00 -2.36 0.00 0.00 39.78 38.06 2k4r n ASN 13 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2k4r n LEU 14 N 0.00 1.84 0.00 -4.53 7.94 -1.11 -4.78 117.00 116.36 2k4r n LEU 14 Ca 0.00 -0.80 0.00 0.00 -1.11 0.00 0.00 56.01 54.10 2k4r n LEU 14 Cb 0.00 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 43.81 2k4r n LEU 14 CO 0.00 0.40 0.00 0.61 -1.11 0.00 0.00 177.39 177.29 2k4r n GLY 15 N 1.15 0.29 3.00 -3.96 0.00 0.04 -5.00 105.19 100.72 2k4r n GLY 15 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 0.65 0.67 0.45 1.61 1.01 -1.26 -4.82 120.40 118.70 2k4r s VAL 16 Ca 0.00 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 2k4r s VAL 16 Cb 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 36.38 35.72 2k4r s VAL 16 CO 0.00 0.20 1.42 -2.16 0.00 0.00 0.00 175.10 174.56 2k4r s PRO 17 N -0.06 3.69 0.26 2.72 0.04 -1.25 -0.75 135.00 139.65 2k4r s PRO 17 Ca 0.01 2.40 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 2k4r s PRO 17 Cb -0.05 -2.65 -0.09 0.00 0.04 0.00 0.00 34.50 31.74 2k4r s PRO 17 CO -0.00 -0.80 1.03 0.00 0.04 0.00 0.00 177.00 177.26 2k4r n LEU 19 N 1.35 0.37 -3.63 0.00 7.94 0.11 -4.80 117.00 118.34 2k4r n LEU 19 Ca -0.01 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.77 2k4r n LEU 19 Cb 0.46 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.34 2k4r n LEU 19 CO 0.52 0.00 0.53 -1.00 -1.11 0.00 0.00 177.39 176.34 2k4r s HIS 20 N 0.00 -0.69 0.36 1.96 3.76 -1.26 -4.52 115.29 114.90 2k4r s HIS 20 Ca 0.00 1.65 0.10 0.00 -0.15 0.00 0.00 55.06 56.67 2k4r s HIS 20 Cb 0.00 0.33 0.68 0.00 1.11 0.00 0.00 32.58 34.71 2k4r s HIS 20 CO 0.00 -0.34 1.82 -1.49 -0.85 0.00 0.00 174.74 173.89 2k4r h TRP 21 N 4.92 0.13 -0.01 1.40 4.06 -1.52 -1.94 115.95 122.99 2k4r h TRP 21 Ca -0.29 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.64 2k4r h TRP 21 Cb 1.17 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 2k4r h TRP 21 CO 0.33 0.42 -0.11 -3.47 -3.56 0.00 0.00 178.44 172.05 2k4r n ASP 22 N -4.13 0.83 -1.93 -3.49 2.03 -1.04 -3.75 116.55 105.06 2k4r n ASP 22 Ca -0.02 -0.94 -0.10 0.00 0.52 0.00 0.00 54.79 54.25 2k4r n ASP 22 Cb 0.38 0.01 0.26 0.00 -0.72 0.00 0.00 41.12 41.05 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 -0.59 3.06 -3.79 -0.67 -0.58 -0.73 -4.86 120.64 112.48 2k4r n GLU 23 Ca 0.16 -3.07 -0.37 0.00 -0.42 0.00 0.00 57.16 53.46 2k4r n GLU 23 Cb 0.30 -2.15 -0.13 0.00 -0.57 0.00 0.00 31.44 28.89 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 -3.11 3.75 0.56 2.62 1.01 -1.25 -4.87 120.40 119.12 2k4r s VAL 24 Ca 0.54 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 2k4r s VAL 24 Cb 0.45 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 2k4r s VAL 24 CO 0.11 0.03 1.08 -2.16 0.00 0.00 0.00 175.10 174.16 2k4r s PRO 25 N 1.45 3.37 0.24 2.72 0.04 -1.26 -4.97 135.00 136.60 2k4r s PRO 25 Ca 0.01 1.37 -0.04 0.00 0.04 0.00 0.00 61.00 62.38 2k4r s PRO 25 Cb -0.18 -2.03 0.41 0.00 0.04 0.00 0.00 34.50 32.74 2k4r s PRO 25 CO 0.01 -0.79 1.79 -1.00 0.04 0.00 0.00 177.00 177.06 2k4r h PRO 26 N 0.85 0.68 -4.05 0.56 0.13 -2.01 -3.23 132.00 124.92 2k4r h PRO 26 Ca -0.48 -0.04 -0.77 0.00 -0.87 0.00 0.00 66.00 63.84 2k4r h PRO 26 Cb 1.23 -0.15 -0.24 0.00 0.13 0.00 0.00 31.00 31.97 2k4r h PRO 26 CO 0.57 0.45 0.38 -0.06 -0.23 0.00 0.00 178.00 179.11 2k4r s PHE 27 N -6.03 3.74 0.15 1.56 0.08 -1.26 -5.01 117.98 111.21 2k4r s PHE 27 Ca -0.12 -2.04 0.08 0.00 0.12 0.00 0.00 56.93 54.97 2k4r s PHE 27 Cb 0.19 -3.94 -0.04 0.00 -0.57 0.00 0.00 43.02 38.66 2k4r s PHE 27 CO 0.78 -1.10 -0.12 -1.17 -0.10 0.00 0.00 175.22 173.51 2k4r s LEU 28 N 0.42 2.92 0.37 -0.37 2.96 -1.22 -5.03 118.68 118.74 2k4r s LEU 28 Ca 0.25 -0.53 0.12 0.00 -0.22 0.00 0.00 54.13 53.74 2k4r s LEU 28 Cb -0.09 -1.67 0.90 0.00 0.50 0.00 0.00 46.19 45.83 2k4r s LEU 28 CO -0.08 0.14 1.86 -0.33 -1.32 0.00 0.00 176.35 176.62 2k4r h GLU 29 N 3.26 0.58 0.00 1.98 5.08 -1.94 -3.42 114.58 120.13 2k4r h GLU 29 Ca -0.48 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 57.58 2k4r h GLU 29 Cb 1.19 -0.13 0.10 0.00 0.50 0.00 0.00 28.75 30.40 2k4r h GLU 29 CO 0.52 0.38 0.23 2.89 -1.00 0.00 0.00 179.01 182.03 2k4r n ARG 30 N -4.56 -0.63 -3.68 2.33 -4.01 -1.26 -5.10 116.66 99.75 2k4r n ARG 30 Ca 0.18 -1.33 -0.26 0.00 -1.04 0.00 0.00 57.85 55.40 2k4r n ARG 30 Cb 0.54 -0.77 -0.17 0.00 -3.04 0.00 0.00 32.46 29.03 2k4r n ARG 30 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2k4r s SER 31 N -3.90 2.35 0.40 2.89 0.15 -1.26 -5.08 113.70 109.26 2k4r s SER 31 Ca 0.45 -0.56 -0.23 0.00 0.70 0.00 0.00 55.95 56.31 2k4r s SER 31 Cb -0.01 -0.39 -0.09 0.00 -1.71 0.00 0.00 66.02 63.81 2k4r s SER 31 CO 0.31 -0.31 1.01 -2.16 1.20 0.00 0.00 173.24 173.30 2k4r s PRO 32 N 2.02 4.20 0.55 5.44 0.04 -1.26 -4.96 135.00 141.02 2k4r s PRO 32 Ca 0.02 1.38 0.32 0.00 0.04 0.00 0.00 61.00 62.76 2k4r s PRO 32 Cb -0.16 -2.46 1.54 0.00 0.04 0.00 0.00 34.50 33.47 2k4r s PRO 32 CO -0.08 -0.09 2.07 -1.35 0.04 0.00 0.00 177.00 177.60 2k4r h PRO 33 N 2.37 0.00 -3.37 0.56 0.11 -2.02 -3.46 132.00 126.19 2k4r h PRO 33 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2k4r h PRO 33 Cb 1.21 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 2k4r h PRO 33 CO 0.62 0.08 0.01 0.00 -0.21 0.00 0.00 178.00 178.50 2k4r s ALA 34 N -3.96 -0.74 -0.50 -0.75 0.00 -1.26 -5.10 121.76 109.45 2k4r s ALA 34 Ca -0.02 -0.48 -0.28 0.00 0.00 0.00 0.00 51.96 51.19 2k4r s ALA 34 Cb 0.11 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 2k4r s ALA 34 CO 0.55 -0.87 1.67 0.45 0.00 0.00 0.00 175.76 177.56 2k4r s SER 35 N -2.94 5.79 0.00 0.00 0.15 -1.26 -4.86 113.70 110.58 2k4r s SER 35 Ca 0.14 0.63 0.24 0.00 0.70 0.00 0.00 55.95 57.65 2k4r s SER 35 Cb -0.02 -2.53 0.41 0.00 -1.71 0.00 0.00 66.02 62.17 2k4r s SER 35 CO 0.03 -1.92 1.39 -2.67 1.20 0.00 0.00 173.24 171.28 2k4r n TRP 36 N 10.79 0.29 0.30 3.44 4.27 -1.26 -4.04 117.44 131.25 2k4r n TRP 36 Ca 0.18 -0.15 0.17 0.00 -3.89 0.00 0.00 57.50 53.82 2k4r n TRP 36 Cb 0.49 0.00 0.97 0.00 -1.36 0.00 0.00 31.31 31.42 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 4.53 1.28 -0.00 -1.67 0.00 -1.99 0.12 119.26 121.55 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 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2k4r h ALA 37 CO 0.00 0.03 -0.01 0.39 0.00 0.00 0.00 179.25 179.66 2k4r n GLU 38 N -3.52 0.42 0.20 0.00 4.71 -1.26 -2.58 120.64 118.62 2k4r n GLU 38 Ca -0.03 -0.01 0.08 0.00 -0.01 0.00 0.00 57.16 57.19 2k4r n GLU 38 Cb 0.12 -1.50 0.40 0.00 -1.01 0.00 0.00 31.44 29.45 2k4r n GLU 38 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2k4r h LEU 39 N 0.03 0.00 1.22 -4.62 3.38 -1.02 -3.47 115.31 110.84 2k4r h LEU 39 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2k4r h LEU 39 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2k4r h LEU 39 CO 0.00 0.30 -0.54 -1.14 0.09 0.00 0.00 178.44 177.15 2k4r n ARG 40 N -3.49 -3.71 -0.65 1.13 0.63 -1.06 -4.82 116.66 104.69 2k4r n ARG 40 Ca -0.00 0.71 0.06 0.00 -0.92 0.00 0.00 57.85 57.70 2k4r n ARG 40 Cb 0.46 -5.47 0.31 0.00 0.45 0.00 0.00 32.46 28.22 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 -1.25 2.54 0.36 5.14 0.00 -1.26 -4.71 105.19 106.01 2k4r n GLY 41 Ca -0.09 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 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 3.22 -0.27 -0.02 1.61 1.08 -1.87 0.09 115.11 118.95 2k4r h GLN 42 Ca 0.00 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2k4r h GLN 42 Cb 1.54 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 29.03 2k4r h GLN 42 CO 0.33 -0.18 0.25 -1.00 -0.95 0.00 0.00 178.83 177.28 2k4r h PRO 43 N -0.28 0.00 0.00 1.46 0.13 -1.96 -2.76 132.00 128.59 2k4r h PRO 43 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2k4r h PRO 43 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2k4r h PRO 43 CO -0.56 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 174.82 2k4r n HIS 44 N -3.01 -0.02 -4.34 1.56 1.44 0.02 -5.00 115.22 105.87 2k4r n HIS 44 Ca -0.02 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.51 2k4r n HIS 44 Cb 0.31 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.27 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 0.40 1.02 0.00 4.39 4.22 -1.26 -1.85 114.94 121.87 2k4r s ASN 45 Ca 0.00 -0.16 0.00 0.00 -2.14 0.00 0.00 52.86 50.56 2k4r s ASN 45 Cb 0.00 -0.15 0.00 0.00 1.28 0.00 0.00 41.25 42.38 2k4r s ASN 45 CO 0.00 0.10 0.00 0.33 -2.04 0.00 0.00 177.10 175.49 2k4r n PHE 46 N 2.96 0.00 -1.46 1.54 7.35 -1.26 -4.79 117.46 121.81 2k4r n PHE 46 Ca -0.14 0.00 -0.47 0.00 -0.76 0.00 0.00 57.45 56.08 2k4r n PHE 46 Cb 0.57 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.37 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 -1.19 -0.00 -0.59 0.00 1.81 -0.43 -4.85 118.95 113.70 2k4r s ARG 48 Ca 0.62 0.02 0.03 0.00 -1.72 0.00 0.00 55.73 54.68 2k4r s ARG 48 Cb -0.84 -0.02 0.15 0.00 -0.45 0.00 0.00 34.95 33.78 2k4r s ARG 48 CO 0.57 -0.01 0.35 0.45 -0.68 0.00 0.00 175.30 175.98 2k4r s SER 49 N 0.08 4.60 0.43 0.23 0.15 -1.26 0.12 113.70 118.06 2k4r s SER 49 Ca -0.01 -3.19 0.23 0.00 0.70 0.00 0.00 55.95 53.68 2k4r s SER 49 Cb -0.01 -1.68 0.50 0.00 -1.71 0.00 0.00 66.02 63.12 2k4r s SER 49 CO -0.00 -0.22 1.66 1.55 1.20 0.00 0.00 173.24 177.43 2k4r h PRO 50 N 6.32 0.00 -6.43 5.44 0.13 -1.94 -3.44 132.00 132.08 2k4r h PRO 50 Ca -0.02 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.53 2k4r h PRO 50 Cb 0.87 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.91 2k4r h PRO 50 CO 0.70 0.11 0.77 -0.51 -0.23 0.00 0.00 178.00 178.84 2k4r s ASP 51 N -6.17 6.55 0.00 1.44 1.11 -1.26 -4.89 116.67 113.45 2k4r s ASP 51 Ca 0.05 0.25 0.06 0.00 0.18 0.00 0.00 52.55 53.09 2k4r s ASP 51 Cb 0.07 -2.50 0.34 0.00 1.07 0.00 0.00 42.92 41.90 2k4r s ASP 51 CO 0.66 -1.19 0.73 0.61 1.18 0.00 0.00 175.17 177.17 2k4r n GLY 52 N 4.92 -0.32 0.62 0.21 0.00 -1.26 -2.53 105.19 106.82 2k4r n GLY 52 Ca 0.09 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.78 2.66 -2.94 4.61 0.00 -1.26 -4.84 120.51 117.96 2k4r n ALA 53 Ca 0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 2k4r n ALA 53 Cb 0.02 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 18.50 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 0.54 0.28 2.83 0.00 0.00 -1.05 -5.02 105.19 102.77 2k4r n GLY 54 Ca 0.08 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -5.48 1.08 0.46 1.61 6.06 -1.14 -5.06 118.95 116.49 2k4r s ARG 55 Ca 0.23 -1.52 -0.20 0.00 -2.50 0.00 0.00 55.73 51.74 2k4r s ARG 55 Cb -0.10 -2.46 -0.10 0.00 0.06 0.00 0.00 34.95 32.35 2k4r s ARG 55 CO 0.32 -1.00 0.98 -1.25 -2.50 0.00 0.00 175.30 171.85 2k4r s PRO 56 N 1.14 4.04 0.12 5.12 0.04 -1.26 -4.13 135.00 140.06 2k4r s PRO 56 Ca 0.12 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 62.15 2k4r s PRO 56 Cb -0.19 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.24 2k4r s PRO 56 CO -0.15 -0.20 0.42 1.67 0.04 0.00 0.00 177.00 178.77 2k4r s TRP 57 N -2.20 -0.24 0.34 0.56 1.48 0.12 0.21 118.94 119.21 2k4r s TRP 57 Ca 0.63 -0.05 0.05 0.00 -1.06 0.00 0.00 56.10 55.67 2k4r s TRP 57 Cb -0.11 0.28 -0.03 0.00 -1.16 0.00 0.00 33.47 32.45 2k4r s TRP 57 CO 0.18 -0.70 0.22 0.00 -4.06 0.00 0.00 176.95 172.59 2k4r s PHE 59 N -3.46 3.27 0.10 0.00 0.08 -1.26 0.03 117.98 116.74 2k4r s PHE 59 Ca 0.36 0.42 0.05 0.00 0.12 0.00 0.00 56.93 57.88 2k4r s PHE 59 Cb 0.03 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 2k4r s PHE 59 CO 0.22 -0.18 -0.02 1.52 -0.10 0.00 0.00 175.22 176.67 2k4r s TYR 60 N 1.89 2.93 -0.18 0.36 -0.85 0.21 0.09 117.35 121.80 2k4r s TYR 60 Ca 0.15 -0.06 -0.02 0.00 -0.52 0.00 0.00 57.07 56.62 2k4r s TYR 60 Cb -0.16 -1.50 -0.01 0.00 0.38 0.00 0.00 41.96 40.68 2k4r s TYR 60 CO 0.09 0.48 -0.09 0.50 -1.52 0.00 0.00 175.55 175.01 2k4r s ARG 61 N -2.37 3.35 0.54 -3.49 3.52 -0.89 -1.50 118.95 118.11 2k4r s ARG 61 Ca 0.25 -0.66 0.09 0.00 -0.13 0.00 0.00 55.73 55.28 2k4r s ARG 61 Cb -0.11 -2.83 0.07 0.00 -1.56 0.00 0.00 34.95 30.52 2k4r s ARG 61 CO 0.18 -0.05 0.74 0.54 -0.81 0.00 0.00 175.30 175.90 2k4r s ASN 62 N 1.05 5.22 -0.00 -2.12 2.20 -0.13 -4.64 114.94 116.51 2k4r s ASN 62 Ca -0.00 -0.76 0.03 0.00 -0.94 0.00 0.00 52.86 51.19 2k4r s ASN 62 Cb -0.15 0.10 0.08 0.00 -2.00 0.00 0.00 41.25 39.28 2k4r s ASN 62 CO -0.01 -1.22 1.01 0.00 -2.94 0.00 0.00 177.10 173.94 2k4r n ALA 63 N -2.16 2.51 1.01 3.54 0.00 -1.26 -1.80 120.51 122.35 2k4r n ALA 63 Ca 0.14 -0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2k4r n ALA 63 Cb 0.61 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.20 0.47 -0.29 0.00 6.02 -1.26 -4.94 117.38 117.18 2k4r n GLN 64 Ca 0.03 -0.38 0.00 0.00 -0.01 0.00 0.00 57.00 56.64 2k4r n GLN 64 Cb 0.11 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.88 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 1.46 0.77 3.92 1.08 0.00 -0.74 -5.06 105.19 106.61 2k4r n GLY 65 Ca 0.06 0.00 -0.27 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 -0.71 3.57 -0.25 1.61 1.02 -1.25 -4.90 119.74 118.82 2k4r s LYS 66 Ca 0.00 -0.16 -0.02 0.00 0.02 0.00 0.00 55.97 55.81 2k4r s LYS 66 Cb 0.00 -2.69 0.08 0.00 -0.52 0.00 0.00 37.83 34.71 2k4r s LYS 66 CO 0.00 0.23 0.08 0.08 -0.92 0.00 0.00 175.35 174.82 2k4r s VAL 67 N -2.11 0.52 0.43 3.17 1.01 -1.26 -0.96 120.40 121.20 2k4r s VAL 67 Ca 0.42 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2k4r s VAL 67 Cb -0.10 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 2k4r s VAL 67 CO 0.32 -0.48 0.10 -1.81 0.00 0.00 0.00 175.10 173.22 2k4r s ASP 68 N 1.83 3.09 -0.02 3.32 1.01 -0.56 -4.32 116.67 121.02 2k4r s ASP 68 Ca 0.05 -1.65 -0.03 0.00 0.71 0.00 0.00 52.55 51.63 2k4r s ASP 68 Cb -0.17 0.46 -0.04 0.00 1.01 0.00 0.00 42.92 44.19 2k4r s ASP 68 CO -0.20 -0.89 0.15 -1.66 0.21 0.00 0.00 175.17 172.78 2k4r s TRP 69 N -3.13 3.50 0.01 4.23 1.48 -1.26 0.65 118.94 124.42 2k4r s TRP 69 Ca 0.21 0.34 0.00 0.00 -1.06 0.00 0.00 56.10 55.59 2k4r s TRP 69 Cb 0.03 -1.82 -0.01 0.00 -1.16 0.00 0.00 33.47 30.50 2k4r s TRP 69 CO 0.12 0.64 -0.03 0.20 -4.06 0.00 0.00 176.95 173.82 2k4r s GLY 70 N -1.78 0.18 0.00 3.67 0.00 0.10 -4.88 107.32 104.61 2k4r s GLY 70 Ca 0.25 -0.33 -0.30 0.00 0.00 0.00 0.00 44.72 44.34 2k4r s GLY 70 CO 0.16 -0.35 1.36 -0.19 0.00 0.00 0.00 173.10 174.08 2k4r s TYR 71 N -0.69 2.96 -1.39 1.90 2.02 -1.26 -1.84 117.35 119.05 2k4r s TYR 71 Ca -0.07 0.91 -0.13 0.00 -0.37 0.00 0.00 57.07 57.41 2k4r s TYR 71 Cb -0.05 -3.62 -0.03 0.00 -0.40 0.00 0.00 41.96 37.86 2k4r s TYR 71 CO -0.00 -2.22 2.41 0.00 -1.57 0.00 0.00 175.55 174.16 2k4r n ASP 73 N 5.37 0.00 0.10 0.00 2.03 -1.26 -4.07 116.55 118.71 2k4r n ASP 73 Ca 0.59 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.90 2k4r n ASP 73 Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 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 1.86 1.81 0.21 0.00 0.00 -1.26 -2.75 105.19 105.06 2k4r n GLY 75 Ca 0.00 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.98 0.75 0.00 1.61 7.27 -1.26 -5.04 117.38 119.72 2k4r n GLN 76 Ca -0.06 -0.42 0.00 0.00 0.07 0.00 0.00 57.00 56.59 2k4r n GLN 76 Cb 0.85 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 32.05 2k4r n GLN 76 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54