#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 -0.77 5.05 2.28 0.00 0.00 -1.26 -5.03 105.19 105.46 2k4r n GLY 3 Ca -0.05 -1.28 -0.03 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.12 -3.11 -1.50 4.61 0.00 -1.26 -4.91 120.51 113.21 2k4r n ALA 4 Ca 0.25 1.45 -0.00 0.00 0.00 0.00 0.00 53.44 55.15 2k4r n ALA 4 Cb 0.84 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 1.42 -0.60 3.38 0.00 0.00 -1.26 -4.78 105.19 103.35 2k4r n GLY 5 Ca -0.23 -0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.49 3.10 -0.36 1.61 0.41 -0.11 -4.79 118.70 117.07 2k4r s GLU 6 Ca 0.00 -1.36 -0.29 0.00 -0.41 0.00 0.00 54.97 52.91 2k4r s GLU 6 Cb -0.00 -4.31 0.00 0.00 -1.78 0.00 0.00 34.13 28.05 2k4r s GLU 6 CO 0.00 -1.57 1.46 -1.25 -0.49 0.00 0.00 175.26 173.42 2k4r s PRO 7 N 2.68 3.62 0.09 0.39 0.04 -1.18 -4.05 135.00 136.60 2k4r s PRO 7 Ca 0.14 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.34 2k4r s PRO 7 Cb -0.22 -4.02 -0.23 0.00 0.04 0.00 0.00 34.50 30.06 2k4r s PRO 7 CO 0.05 -1.50 1.17 2.35 0.04 0.00 0.00 177.00 179.11 2k4r h TRP 8 N 10.74 0.14 0.00 0.56 7.01 -1.85 -3.49 115.95 129.06 2k4r h TRP 8 Ca -0.29 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 60.61 2k4r h TRP 8 Cb 1.12 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.17 2k4r h TRP 8 CO 0.95 1.09 0.00 0.41 -2.79 0.00 0.00 178.44 178.09 2k4r n GLY 9 N 1.43 1.50 1.15 2.65 0.00 -1.26 -4.75 105.19 105.92 2k4r n GLY 9 Ca -0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 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 2.63 -3.71 1.61 4.13 -1.26 -1.95 115.26 116.71 2k4r n ASN 10 Ca 0.00 -3.70 -0.13 0.00 1.68 0.00 0.00 54.58 52.43 2k4r n ASN 10 Cb 0.00 -0.63 -0.09 0.00 -1.54 0.00 0.00 39.78 37.52 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 -3.21 -1.16 -1.03 5.41 0.00 -1.25 -0.25 121.76 120.27 2k4r s ALA 11 Ca 0.45 1.26 -0.23 0.00 0.00 0.00 0.00 51.96 53.43 2k4r s ALA 11 Cb 0.40 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2k4r s ALA 11 CO 0.01 -0.23 1.81 0.95 0.00 0.00 0.00 175.76 178.29 2k4r s THR 12 N 0.08 3.65 0.00 0.00 -4.23 -0.02 -3.85 115.64 111.26 2k4r s THR 12 Ca -0.01 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2k4r s THR 12 Cb -0.03 -4.49 0.00 0.00 1.34 0.00 0.00 72.50 69.32 2k4r s THR 12 CO 0.01 -1.30 0.00 -0.46 -0.54 0.00 0.00 174.62 172.33 2k4r n ASN 13 N 12.31 0.00 0.00 3.99 0.23 -1.26 -1.93 115.26 128.60 2k4r n ASN 13 Ca 0.40 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.58 2k4r n ASN 13 Cb 0.48 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.75 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 0.21 0.00 -4.53 5.85 -1.91 -3.45 115.31 111.48 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 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2k4r h LEU 14 CO 0.00 0.13 0.00 0.61 -0.34 0.00 0.00 178.44 178.84 2k4r n GLY 15 N -1.55 0.19 2.96 3.75 0.00 -0.81 -5.14 105.19 104.58 2k4r n GLY 15 Ca 0.07 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 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 1.38 0.24 1.61 1.01 -1.25 -4.86 120.40 118.52 2k4r s VAL 16 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 2k4r s VAL 16 Cb 0.00 -1.41 -0.10 0.00 0.00 0.00 0.00 36.38 34.87 2k4r s VAL 16 CO 0.00 0.29 1.45 -2.16 0.00 0.00 0.00 175.10 174.68 2k4r s PRO 17 N 1.54 4.26 0.02 2.72 0.04 -1.26 -0.84 135.00 141.48 2k4r s PRO 17 Ca 0.02 2.30 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 2k4r s PRO 17 Cb -0.14 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 2k4r s PRO 17 CO -0.09 -0.44 0.75 0.00 0.04 0.00 0.00 177.00 177.26 2k4r s LEU 19 N 0.15 3.17 0.23 0.00 2.96 0.20 -4.80 118.68 120.58 2k4r s LEU 19 Ca 0.38 0.71 -0.30 0.00 -0.22 0.00 0.00 54.13 54.71 2k4r s LEU 19 Cb -0.20 -3.52 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 2k4r s LEU 19 CO 0.22 -1.13 1.03 -1.00 -1.32 0.00 0.00 176.35 174.14 2k4r s HIS 20 N -3.04 3.75 0.34 5.38 3.76 -1.26 -4.43 115.29 119.79 2k4r s HIS 20 Ca 0.55 1.77 0.29 0.00 -0.15 0.00 0.00 55.06 57.52 2k4r s HIS 20 Cb -0.11 -3.15 1.44 0.00 1.11 0.00 0.00 32.58 31.88 2k4r s HIS 20 CO 0.45 -0.12 2.04 -1.49 -0.85 0.00 0.00 174.74 174.78 2k4r h TRP 21 N 4.39 0.00 0.00 1.40 4.06 -1.42 0.33 115.95 124.70 2k4r h TRP 21 Ca -0.45 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.50 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 0.61 0.11 -0.28 -3.47 -3.56 0.00 0.00 178.44 171.85 2k4r n ASP 22 N -3.46 0.55 -1.46 -3.49 2.03 -0.81 -3.78 116.55 106.13 2k4r n ASP 22 Ca -0.01 0.28 0.10 0.00 0.52 0.00 0.00 54.79 55.67 2k4r n ASP 22 Cb 0.27 -0.25 0.34 0.00 -0.72 0.00 0.00 41.12 40.75 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 -1.92 3.49 -2.35 -0.67 1.02 0.10 -4.90 120.64 115.41 2k4r n GLU 23 Ca 0.05 -2.80 -0.43 0.00 -0.02 0.00 0.00 57.16 53.96 2k4r n GLU 23 Cb 0.40 -1.80 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 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 -1.69 3.98 0.54 2.62 1.01 -1.21 -4.91 120.40 120.75 2k4r s VAL 24 Ca 0.49 1.07 -0.21 0.00 0.00 0.00 0.00 61.98 63.33 2k4r s VAL 24 Cb 0.30 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2k4r s VAL 24 CO 0.25 -0.57 1.22 -2.16 0.00 0.00 0.00 175.10 173.85 2k4r s PRO 25 N 4.56 3.27 0.62 2.72 0.04 -1.26 -4.91 135.00 140.04 2k4r s PRO 25 Ca 0.60 1.89 0.36 0.00 0.04 0.00 0.00 61.00 63.89 2k4r s PRO 25 Cb -0.16 -2.15 2.03 0.00 0.04 0.00 0.00 34.50 34.26 2k4r s PRO 25 CO 0.28 -0.99 2.28 -1.00 0.04 0.00 0.00 177.00 177.61 2k4r h PRO 26 N 1.38 0.00 -3.89 0.56 0.13 -2.00 -3.28 132.00 124.90 2k4r h PRO 26 Ca -0.50 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.87 2k4r h PRO 26 Cb 1.28 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.14 2k4r h PRO 26 CO 0.57 0.01 -0.09 -0.06 -0.23 0.00 0.00 178.00 178.21 2k4r s PHE 27 N -4.36 3.58 -0.14 1.56 0.08 -1.26 -5.05 117.98 112.39 2k4r s PHE 27 Ca -0.05 -1.97 -0.07 0.00 0.12 0.00 0.00 56.93 54.96 2k4r s PHE 27 Cb 0.14 -3.68 -0.04 0.00 -0.57 0.00 0.00 43.02 38.86 2k4r s PHE 27 CO 0.49 -0.97 0.12 -1.17 -0.10 0.00 0.00 175.22 173.59 2k4r s LEU 28 N 0.51 4.23 0.16 -0.37 2.96 -1.24 -5.01 118.68 119.93 2k4r s LEU 28 Ca 0.14 0.36 -0.11 0.00 -0.22 0.00 0.00 54.13 54.30 2k4r s LEU 28 Cb -0.17 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.51 2k4r s LEU 28 CO -0.05 0.35 1.61 -0.33 -1.32 0.00 0.00 176.35 176.61 2k4r h GLU 29 N 5.45 0.96 -6.30 1.98 5.08 -1.93 -3.43 114.58 116.39 2k4r h GLU 29 Ca -0.51 -0.31 -0.59 0.00 -1.00 0.00 0.00 59.36 56.95 2k4r h GLU 29 Cb 1.21 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 30.27 2k4r h GLU 29 CO 0.62 0.98 -0.64 1.03 -1.00 0.00 0.00 179.01 180.00 2k4r s ARG 30 N -5.00 2.48 -0.16 2.33 1.81 -1.26 -5.08 118.95 114.08 2k4r s ARG 30 Ca -0.12 -1.10 -0.18 0.00 -1.72 0.00 0.00 55.73 52.60 2k4r s ARG 30 Cb 0.12 -2.39 -0.04 0.00 -0.45 0.00 0.00 34.95 32.20 2k4r s ARG 30 CO 0.84 0.45 0.50 0.45 -0.68 0.00 0.00 175.30 176.86 2k4r s SER 31 N -3.07 6.62 0.38 0.23 0.15 -1.26 -4.91 113.70 111.84 2k4r s SER 31 Ca 0.28 0.75 -0.25 0.00 0.70 0.00 0.00 55.95 57.43 2k4r s SER 31 Cb -0.09 -2.29 -0.09 0.00 -1.71 0.00 0.00 66.02 61.84 2k4r s SER 31 CO 0.20 -0.09 1.06 -2.16 1.20 0.00 0.00 173.24 173.44 2k4r s PRO 32 N 1.15 4.25 0.59 5.44 0.04 -1.26 -4.95 135.00 140.26 2k4r s PRO 32 Ca 0.25 1.56 0.35 0.00 0.04 0.00 0.00 61.00 63.20 2k4r s PRO 32 Cb -0.15 -2.66 1.88 0.00 0.04 0.00 0.00 34.50 33.61 2k4r s PRO 32 CO 0.10 -0.08 2.22 -1.00 0.04 0.00 0.00 177.00 178.28 2k4r h PRO 33 N 2.74 0.00 0.00 0.56 0.13 -2.02 -3.46 132.00 129.95 2k4r h PRO 33 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k4r h PRO 33 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k4r h PRO 33 CO 0.63 0.03 0.22 0.00 -0.23 0.00 0.00 178.00 178.65 2k4r n ALA 34 N -2.20 -1.30 -2.17 -0.56 0.00 -1.26 -5.11 120.51 107.91 2k4r n ALA 34 Ca -0.02 -0.85 -0.43 0.00 0.00 0.00 0.00 53.44 52.14 2k4r n ALA 34 Cb 0.15 0.66 -0.02 0.00 0.00 0.00 0.00 19.45 20.23 2k4r n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k4r s SER 35 N -2.46 6.38 0.00 0.00 0.15 -1.26 -4.86 113.70 111.65 2k4r s SER 35 Ca 0.12 1.46 0.22 0.00 0.70 0.00 0.00 55.95 58.45 2k4r s SER 35 Cb -0.03 -2.53 0.52 0.00 -1.71 0.00 0.00 66.02 62.26 2k4r s SER 35 CO 0.08 -1.29 1.45 -2.67 1.20 0.00 0.00 173.24 172.01 2k4r n TRP 36 N 8.52 0.61 0.26 3.44 4.27 -1.26 -3.87 117.44 129.41 2k4r n TRP 36 Ca 0.18 -0.30 0.10 0.00 -3.89 0.00 0.00 57.50 53.59 2k4r n TRP 36 Cb 0.46 0.00 0.69 0.00 -1.36 0.00 0.00 31.31 31.09 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 4.37 1.68 0.00 -1.67 0.00 -1.99 0.22 119.26 121.87 2k4r h ALA 37 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k4r h ALA 37 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2k4r h ALA 37 CO 0.00 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.73 2k4r n GLU 38 N -4.16 0.14 0.20 0.00 4.71 -1.25 -1.80 120.64 118.47 2k4r n GLU 38 Ca -0.03 0.26 0.06 0.00 -0.01 0.00 0.00 57.16 57.44 2k4r n GLU 38 Cb 0.15 -1.71 0.40 0.00 -1.01 0.00 0.00 31.44 29.27 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 0.00 0.00 0.67 -4.62 3.38 -1.20 -3.47 115.31 110.07 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 0.46 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2k4r h LEU 39 CO 0.00 0.34 -0.54 -2.11 0.09 0.00 0.00 178.44 176.22 2k4r n ARG 40 N -3.67 -3.37 -1.12 1.13 1.85 -0.75 -4.81 116.66 105.93 2k4r n ARG 40 Ca -0.01 0.49 -0.15 0.00 -1.00 0.00 0.00 57.85 57.19 2k4r n ARG 40 Cb 0.45 -5.20 0.24 0.00 -1.05 0.00 0.00 32.46 26.90 2k4r n ARG 40 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k4r n GLY 41 N -1.16 4.14 0.42 2.89 0.00 -1.26 -4.80 105.19 105.42 2k4r n GLY 41 Ca -0.03 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 1.77 -0.41 -0.01 1.61 1.08 -1.87 -1.37 115.11 115.90 2k4r h GLN 42 Ca 0.45 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.68 2k4r h GLN 42 Cb 2.57 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 30.10 2k4r h GLN 42 CO 0.91 -0.27 0.06 -1.00 -0.95 0.00 0.00 178.83 177.57 2k4r h PRO 43 N -0.43 0.00 0.00 1.46 0.13 -1.95 -2.15 132.00 129.06 2k4r h PRO 43 Ca 0.09 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.06 2k4r h PRO 43 Cb 0.62 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.71 2k4r h PRO 43 CO -0.52 0.00 -0.14 -2.39 -0.23 0.00 0.00 178.00 174.72 2k4r n HIS 44 N -3.25 -0.04 -4.87 1.56 1.44 -0.52 -4.96 115.22 104.59 2k4r n HIS 44 Ca -0.03 -0.82 -0.26 0.00 -2.01 0.00 0.00 57.72 54.61 2k4r n HIS 44 Cb 0.13 0.02 -0.16 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 -1.75 2.15 0.00 4.39 4.22 -1.26 -1.75 114.94 120.94 2k4r s ASN 45 Ca 0.08 -0.34 0.00 0.00 -2.14 0.00 0.00 52.86 50.46 2k4r s ASN 45 Cb 0.00 -0.34 0.00 0.00 1.28 0.00 0.00 41.25 42.19 2k4r s ASN 45 CO 0.06 0.21 0.00 0.33 -2.04 0.00 0.00 177.10 175.65 2k4r n PHE 46 N 2.77 0.00 -1.56 1.54 7.35 -1.26 -4.88 117.46 121.43 2k4r n PHE 46 Ca -0.16 0.00 -0.50 0.00 -0.76 0.00 0.00 57.45 56.04 2k4r n PHE 46 Cb 0.53 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.32 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 -0.40 0.97 -0.29 0.00 1.81 0.18 -4.81 118.95 116.41 2k4r s ARG 48 Ca 0.74 -0.34 -0.12 0.00 -1.72 0.00 0.00 55.73 54.29 2k4r s ARG 48 Cb -0.89 -0.91 0.11 0.00 -0.45 0.00 0.00 34.95 32.81 2k4r s ARG 48 CO 0.53 0.15 0.65 -1.54 -0.68 0.00 0.00 175.30 174.41 2k4r s SER 49 N 0.07 -1.03 -0.06 0.23 1.04 -1.26 -1.27 113.70 111.41 2k4r s SER 49 Ca -0.01 1.52 -0.19 0.00 0.48 0.00 0.00 55.95 57.75 2k4r s SER 49 Cb -0.07 1.94 -0.14 0.00 0.10 0.00 0.00 66.02 67.84 2k4r s SER 49 CO 0.00 -0.23 0.75 -0.65 0.98 0.00 0.00 173.24 174.10 2k4r h PRO 50 N 7.67 -0.19 0.00 4.02 0.11 -1.92 -3.48 132.00 138.21 2k4r h PRO 50 Ca -0.22 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2k4r h PRO 50 Cb 1.14 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k4r h PRO 50 CO 0.12 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 177.74 2k4r n ASP 51 N -4.90 -0.25 0.00 -2.05 5.75 -1.26 -5.00 116.55 108.85 2k4r n ASP 51 Ca -0.07 0.07 0.04 0.00 -0.01 0.00 0.00 54.79 54.81 2k4r n ASP 51 Cb 0.25 0.56 0.21 0.00 -1.03 0.00 0.00 41.12 41.12 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 -1.49 -0.31 0.14 6.12 0.00 -1.26 -0.54 105.19 107.85 2k4r n GLY 52 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.09 2k4r n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4r h ALA 53 N 2.44 0.72 -1.14 4.61 0.00 -1.96 -3.47 119.26 120.45 2k4r h ALA 53 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 2k4r h ALA 53 Cb 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.66 2k4r h ALA 53 CO 0.00 0.00 -0.33 0.41 0.00 0.00 0.00 179.25 179.33 2k4r n GLY 54 N 1.18 1.71 3.39 0.00 0.00 0.29 -4.86 105.19 106.90 2k4r n GLY 54 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.52 0.21 0.45 1.61 3.52 -1.26 -4.65 118.95 115.31 2k4r s ARG 55 Ca 0.00 0.48 -0.21 0.00 -0.13 0.00 0.00 55.73 55.88 2k4r s ARG 55 Cb 0.00 0.25 -0.10 0.00 -1.56 0.00 0.00 34.95 33.54 2k4r s ARG 55 CO 0.00 -0.06 0.98 -1.25 -0.81 0.00 0.00 175.30 174.16 2k4r s PRO 56 N 2.07 4.07 0.04 5.12 0.04 -1.26 -4.72 135.00 140.35 2k4r s PRO 56 Ca -0.03 1.22 -0.04 0.00 0.04 0.00 0.00 61.00 62.19 2k4r s PRO 56 Cb -0.04 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2k4r s PRO 56 CO -0.16 -0.18 0.05 1.67 0.04 0.00 0.00 177.00 178.42 2k4r s TRP 57 N -2.09 0.29 0.26 0.56 1.48 -0.40 -0.23 118.94 118.80 2k4r s TRP 57 Ca 0.64 -0.66 0.01 0.00 -1.06 0.00 0.00 56.10 55.03 2k4r s TRP 57 Cb -0.12 -0.21 -0.05 0.00 -1.16 0.00 0.00 33.47 31.93 2k4r s TRP 57 CO 0.16 -0.36 0.11 0.00 -4.06 0.00 0.00 176.95 172.80 2k4r s PHE 59 N -3.78 3.32 -0.12 0.00 0.08 -1.26 -0.31 117.98 115.91 2k4r s PHE 59 Ca 0.38 0.74 -0.07 0.00 0.12 0.00 0.00 56.93 58.09 2k4r s PHE 59 Cb 0.07 -2.72 -0.04 0.00 -0.57 0.00 0.00 43.02 39.77 2k4r s PHE 59 CO 0.14 -0.20 0.14 1.52 -0.10 0.00 0.00 175.22 176.72 2k4r s TYR 60 N 2.02 3.60 -0.24 0.36 -0.85 0.25 0.61 117.35 123.10 2k4r s TYR 60 Ca 0.23 0.54 0.01 0.00 -0.52 0.00 0.00 57.07 57.33 2k4r s TYR 60 Cb -0.16 -1.95 0.04 0.00 0.38 0.00 0.00 41.96 40.28 2k4r s TYR 60 CO 0.09 0.74 -0.11 0.50 -1.52 0.00 0.00 175.55 175.25 2k4r s ARG 61 N -1.03 2.55 0.06 -3.49 3.52 -0.62 -1.74 118.95 118.20 2k4r s ARG 61 Ca 0.15 -1.15 -0.03 0.00 -0.13 0.00 0.00 55.73 54.57 2k4r s ARG 61 Cb -0.12 -2.86 -0.05 0.00 -1.56 0.00 0.00 34.95 30.36 2k4r s ARG 61 CO 0.04 -0.46 0.27 -0.80 -0.81 0.00 0.00 175.30 173.54 2k4r s ASN 62 N 1.20 6.43 0.00 -2.12 0.01 0.16 -4.65 114.94 115.98 2k4r s ASN 62 Ca -0.04 0.44 0.00 0.00 -0.71 0.00 0.00 52.86 52.56 2k4r s ASN 62 Cb -0.18 -2.03 0.00 0.00 0.41 0.00 0.00 41.25 39.45 2k4r s ASN 62 CO -0.06 0.17 0.63 0.00 -1.51 0.00 0.00 177.10 176.32 2k4r n ALA 63 N 0.53 2.13 1.19 0.60 0.00 -1.26 -0.33 120.51 123.36 2k4r n ALA 63 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.50 2k4r n ALA 63 Cb 0.52 -1.00 0.25 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.48 1.80 -1.31 0.00 3.00 -1.26 -4.93 117.38 114.20 2k4r n GLN 64 Ca 0.00 -1.33 0.00 0.00 -0.01 0.00 0.00 57.00 55.66 2k4r n GLN 64 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.77 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 1.30 1.01 3.41 1.08 0.00 0.55 -5.07 105.19 107.47 2k4r n GLY 65 Ca 0.15 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.84 3.46 -0.40 1.61 1.02 -0.92 -4.93 119.74 116.73 2k4r s LYS 66 Ca 0.00 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.36 2k4r s LYS 66 Cb 0.00 -2.71 0.13 0.00 -0.52 0.00 0.00 37.83 34.73 2k4r s LYS 66 CO 0.00 0.23 0.21 0.08 -0.92 0.00 0.00 175.35 174.95 2k4r s VAL 67 N 0.34 1.12 0.30 3.17 1.01 -1.25 0.38 120.40 125.47 2k4r s VAL 67 Ca -0.09 -2.22 0.03 0.00 0.00 0.00 0.00 61.98 59.70 2k4r s VAL 67 Cb -0.15 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2k4r s VAL 67 CO 0.05 -0.87 0.15 -1.81 0.00 0.00 0.00 175.10 172.62 2k4r s ASP 68 N 0.69 1.57 0.04 3.32 1.01 -0.71 -3.54 116.67 119.05 2k4r s ASP 68 Ca 0.16 -1.53 0.00 0.00 0.71 0.00 0.00 52.55 51.89 2k4r s ASP 68 Cb -0.23 0.35 -0.04 0.00 1.01 0.00 0.00 42.92 44.01 2k4r s ASP 68 CO -0.04 -0.86 0.17 -1.66 0.21 0.00 0.00 175.17 172.99 2k4r s TRP 69 N -3.60 3.44 -0.05 4.23 1.48 -1.26 0.88 118.94 124.06 2k4r s TRP 69 Ca 0.35 0.23 -0.16 0.00 -1.06 0.00 0.00 56.10 55.47 2k4r s TRP 69 Cb 0.05 -1.74 0.03 0.00 -1.16 0.00 0.00 33.47 30.65 2k4r s TRP 69 CO 0.17 0.58 0.36 0.20 -4.06 0.00 0.00 176.95 174.20 2k4r s GLY 70 N -2.30 -0.23 0.09 3.67 0.00 0.57 -4.87 107.32 104.25 2k4r s GLY 70 Ca 0.31 0.61 -0.30 0.00 0.00 0.00 0.00 44.72 45.34 2k4r s GLY 70 CO 0.24 0.41 1.12 -0.19 0.00 0.00 0.00 173.10 174.67 2k4r s TYR 71 N -0.91 3.55 -1.48 1.90 2.02 -1.20 -1.66 117.35 119.56 2k4r s TYR 71 Ca -0.10 1.50 -0.09 0.00 -0.37 0.00 0.00 57.07 58.00 2k4r s TYR 71 Cb -0.04 -3.30 -0.08 0.00 -0.40 0.00 0.00 41.96 38.14 2k4r s TYR 71 CO 0.04 -0.76 2.77 0.00 -1.57 0.00 0.00 175.55 176.03 2k4r n ASP 73 N 3.84 0.00 -2.75 0.00 2.03 -1.26 -0.93 116.55 117.48 2k4r n ASP 73 Ca 0.71 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.97 2k4r n ASP 73 Cb 0.22 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.64 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 2.60 0.55 3.44 0.00 0.00 -1.26 -5.03 105.19 105.49 2k4r n GLY 75 Ca 0.15 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.07 3.10 0.00 1.61 2.00 -1.26 -5.13 119.66 117.91 2k4r s GLN 76 Ca 0.00 -0.93 0.00 0.00 -2.00 0.00 0.00 55.36 52.43 2k4r s GLN 76 Cb 0.00 -4.08 0.00 0.00 0.80 0.00 0.00 33.01 29.73 2k4r s GLN 76 CO 0.00 -1.13 0.00 0.41 -0.50 0.00 0.00 175.29 174.07