#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr5 n MET 2 N 0.00 -1.70 -1.07 0.00 0.00 -1.26 -4.81 117.12 108.29 2kr5 n MET 2 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 57.70 59.38 2kr5 n MET 2 Cb 0.00 -5.52 0.00 0.00 0.00 0.00 0.00 33.22 27.70 2kr5 n MET 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kr5 n ALA 3 N -1.29 -2.42 -3.71 3.04 0.00 -1.26 -4.39 120.51 110.47 2kr5 n ALA 3 Ca 0.02 0.27 -0.22 0.00 0.00 0.00 0.00 53.44 53.52 2kr5 n ALA 3 Cb 0.50 -1.05 -0.18 0.00 0.00 0.00 0.00 19.45 18.72 2kr5 n ALA 3 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kr5 s LYS 4 N -3.00 0.27 0.18 0.00 2.20 -1.26 -4.52 119.74 113.61 2kr5 s LYS 4 Ca 0.00 0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 2kr5 s LYS 4 Cb 0.00 -0.92 0.02 0.00 -1.51 0.00 0.00 37.83 35.42 2kr5 s LYS 4 CO 0.00 -0.37 0.16 0.41 -0.36 0.00 0.00 175.35 175.19 2kr5 n GLY 5 N 5.22 2.72 0.00 5.54 0.00 -0.90 -4.89 105.19 112.88 2kr5 n GLY 5 Ca -0.05 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2kr5 n GLY 5 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kr5 n VAL 6 N -1.03 0.00 -0.27 1.61 0.31 -1.20 -4.63 118.33 113.13 2kr5 n VAL 6 Ca 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2kr5 n VAL 6 Cb 0.20 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 2kr5 n VAL 6 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kr5 n GLY 7 N 2.49 -0.55 3.71 2.92 0.00 -0.13 -4.69 105.19 108.94 2kr5 n GLY 7 Ca 0.00 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 2kr5 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kr5 s VAL 8 N 0.00 3.87 0.87 1.61 -7.23 -1.12 -4.96 120.40 113.44 2kr5 s VAL 8 Ca 0.00 -1.63 -0.09 0.00 -1.81 0.00 0.00 61.98 58.45 2kr5 s VAL 8 Cb 0.00 -3.05 0.18 0.00 0.56 0.00 0.00 36.38 34.07 2kr5 s VAL 8 CO 0.00 -0.31 1.19 -0.55 -0.31 0.00 0.00 175.10 175.12 2kr5 s SER 9 N -3.59 3.53 0.56 4.85 0.15 -1.26 -4.74 113.70 113.21 2kr5 s SER 9 Ca 0.31 -0.12 0.35 0.00 0.70 0.00 0.00 55.95 57.19 2kr5 s SER 9 Cb -0.07 -0.01 1.56 0.00 -1.71 0.00 0.00 66.02 65.78 2kr5 s SER 9 CO 0.21 -2.43 2.06 -1.13 1.20 0.00 0.00 173.24 173.15 2kr5 h ASN 10 N -1.19 0.00 0.08 5.45 -1.24 -2.00 -2.10 115.58 114.59 2kr5 h ASN 10 Ca -0.40 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.61 2kr5 h ASN 10 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 2kr5 h ASN 10 CO 0.36 0.03 -0.04 -0.08 -1.29 0.00 0.00 177.43 176.40 2kr5 h GLU 11 N 0.00 -0.11 0.00 6.67 4.81 -1.99 -1.34 114.58 122.62 2kr5 h GLU 11 Ca -0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2kr5 h GLU 11 Cb 0.41 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2kr5 h GLU 11 CO 0.00 -0.03 -0.20 -0.22 -0.73 0.00 0.00 179.01 177.83 2kr5 h LYS 12 N -0.16 0.00 0.00 1.92 1.63 -1.76 -0.34 116.57 117.87 2kr5 h LYS 12 Ca -0.01 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.72 2kr5 h LYS 12 Cb 0.13 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 2kr5 h LYS 12 CO 0.02 0.20 -0.34 1.25 -3.45 0.00 0.00 179.45 177.13 2kr5 h LEU 13 N 0.00 0.00 0.00 5.20 5.85 -1.08 -1.96 115.31 123.31 2kr5 h LEU 13 Ca -0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 2kr5 h LEU 13 Cb 0.68 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2kr5 h LEU 13 CO 0.03 0.34 -0.98 -0.78 -0.34 0.00 0.00 178.44 176.70 2kr5 h ASP 14 N 0.00 0.00 0.85 1.25 1.82 0.07 -3.28 116.42 117.12 2kr5 h ASP 14 Ca -0.00 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.40 2kr5 h ASP 14 Cb 0.74 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.73 2kr5 h ASP 14 CO 0.04 0.86 -1.12 0.00 -1.61 0.00 0.00 179.24 177.41 2kr5 h ALA 15 N 1.14 0.28 -0.12 -0.78 0.00 -1.13 -3.29 119.26 115.36 2kr5 h ALA 15 Ca -0.05 -0.93 -0.05 0.00 0.00 0.00 0.00 54.91 53.89 2kr5 h ALA 15 Cb 1.69 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 2kr5 h ALA 15 CO 0.10 1.17 -0.11 -0.24 0.00 0.00 0.00 179.25 180.17 2kr5 h VAL 16 N 0.03 1.35 0.00 0.00 3.04 -1.47 -3.17 116.25 116.02 2kr5 h VAL 16 Ca -0.07 -1.25 -0.02 0.00 -1.01 0.00 0.00 66.70 64.35 2kr5 h VAL 16 Cb 1.85 1.91 -0.00 0.00 -2.01 0.00 0.00 31.29 33.04 2kr5 h VAL 16 CO 0.15 0.36 -0.08 0.24 -1.01 0.00 0.00 177.57 177.23 2kr5 h MET 17 N -0.10 0.00 0.00 4.17 2.07 -1.65 0.65 114.93 120.07 2kr5 h MET 17 Ca 0.02 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.60 2kr5 h MET 17 Cb 0.63 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.35 2kr5 h MET 17 CO 0.03 0.08 -0.39 0.07 1.07 0.00 0.00 176.91 177.77 2kr5 h ARG 18 N 0.00 0.00 0.12 1.72 0.11 -1.63 0.32 114.38 115.02 2kr5 h ARG 18 Ca -0.00 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.79 2kr5 h ARG 18 Cb 0.16 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.24 2kr5 h ARG 18 CO 0.01 0.22 -1.40 0.28 0.10 0.00 0.00 179.97 179.19 2kr5 h VAL 19 N 0.00 1.31 -0.43 0.08 2.07 -1.09 -3.21 116.25 114.97 2kr5 h VAL 19 Ca -0.01 -2.92 -0.07 0.00 0.82 0.00 0.00 66.70 64.52 2kr5 h VAL 19 Cb 1.20 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.79 2kr5 h VAL 19 CO 0.03 0.85 -0.00 0.58 0.02 0.00 0.00 177.57 179.04 2kr5 h VAL 20 N 0.07 1.23 0.29 2.57 2.07 -0.88 -2.95 116.25 118.65 2kr5 h VAL 20 Ca -0.19 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 2kr5 h VAL 20 Cb 1.99 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2kr5 h VAL 20 CO 0.18 0.33 -0.15 0.77 0.02 0.00 0.00 177.57 178.72 2kr5 h SER 21 N 0.67 -0.37 0.16 0.57 4.64 -0.94 0.05 113.55 118.32 2kr5 h SER 21 Ca 0.13 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.49 2kr5 h SER 21 Cb 0.42 0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.58 2kr5 h SER 21 CO 0.02 -0.25 -0.32 -0.33 -0.87 0.00 0.00 176.83 175.08 2kr5 h GLU 22 N -0.41 -0.55 0.00 4.77 5.08 -1.56 0.16 114.58 122.08 2kr5 h GLU 22 Ca -0.04 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2kr5 h GLU 22 Cb 0.32 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2kr5 h GLU 22 CO 0.05 -0.36 -0.25 0.93 -1.00 0.00 0.00 179.01 178.38 2kr5 h GLU 23 N -0.57 0.00 0.03 2.33 4.39 -1.45 -2.90 114.58 116.42 2kr5 h GLU 23 Ca 0.02 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.45 2kr5 h GLU 23 Cb 0.58 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 2kr5 h GLU 23 CO -0.16 0.25 -1.47 0.77 -1.16 0.00 0.00 179.01 177.24 2kr5 h SER 24 N 0.00 0.09 0.00 1.42 0.02 -0.91 -3.48 113.55 110.69 2kr5 h SER 24 Ca -0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2kr5 h SER 24 Cb 1.06 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2kr5 h SER 24 CO 0.03 1.11 0.00 0.61 -1.14 0.00 0.00 176.83 177.45 2kr5 n GLY 25 N 1.53 0.52 3.90 -3.77 0.00 0.52 -5.03 105.19 102.86 2kr5 n GLY 25 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 2kr5 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kr5 s ILE 26 N -2.00 5.12 0.46 -0.61 1.01 -0.93 -4.98 121.20 119.27 2kr5 s ILE 26 Ca 0.00 -0.72 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 2kr5 s ILE 26 Cb 0.00 -3.60 -0.07 0.00 0.01 0.00 0.00 42.46 38.80 2kr5 s ILE 26 CO 0.00 -0.04 1.24 0.00 0.00 0.00 0.00 174.94 176.14 2kr5 s ALA 27 N -1.68 3.02 0.34 9.38 0.00 -1.26 -4.40 121.76 127.16 2kr5 s ALA 27 Ca 0.34 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.41 2kr5 s ALA 27 Cb -0.11 -3.45 0.58 0.00 0.00 0.00 0.00 23.12 20.14 2kr5 s ALA 27 CO 0.27 -0.85 1.97 1.25 0.00 0.00 0.00 175.76 178.40 2kr5 h LEU 28 N 2.10 0.73 -0.10 0.00 5.85 -1.92 -0.28 115.31 121.70 2kr5 h LEU 28 Ca -0.50 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.18 2kr5 h LEU 28 Cb 1.26 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2kr5 h LEU 28 CO 0.60 0.58 0.00 -0.62 -0.34 0.00 0.00 178.44 178.66 2kr5 n GLU 29 N -4.40 0.04 -0.05 1.25 -0.58 -1.26 -2.31 120.64 113.33 2kr5 n GLU 29 Ca 0.06 0.22 0.03 0.00 -0.42 0.00 0.00 57.16 57.05 2kr5 n GLU 29 Cb 0.08 -1.57 0.05 0.00 -0.57 0.00 0.00 31.44 29.44 2kr5 n GLU 29 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2kr5 n GLU 30 N -1.65 1.76 -2.33 3.49 1.02 -0.21 -4.92 120.64 117.81 2kr5 n GLU 30 Ca 0.04 -1.42 -0.39 0.00 -0.02 0.00 0.00 57.16 55.38 2kr5 n GLU 30 Cb 0.23 -1.12 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 2kr5 n GLU 30 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2kr5 s LEU 31 N -0.80 3.25 0.19 -4.62 2.96 -0.62 -4.86 118.68 114.17 2kr5 s LEU 31 Ca 0.09 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 2kr5 s LEU 31 Cb 0.05 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 2kr5 s LEU 31 CO 0.07 -2.07 0.28 0.42 -1.32 0.00 0.00 176.35 173.73 2kr5 s THR 32 N 7.22 5.14 -1.58 3.68 -4.23 -1.26 -4.98 115.64 119.63 2kr5 s THR 32 Ca 0.51 -0.88 0.30 0.00 -1.18 0.00 0.00 61.69 60.44 2kr5 s THR 32 Cb -0.08 -3.70 0.55 0.00 1.34 0.00 0.00 72.50 70.61 2kr5 s THR 32 CO 0.12 -0.19 2.01 -0.90 -0.54 0.00 0.00 174.62 175.13 2kr5 n ASP 33 N -0.83 0.16 0.22 3.99 5.75 -1.26 -2.88 116.55 121.70 2kr5 n ASP 33 Ca -0.08 -0.40 0.11 0.00 -0.01 0.00 0.00 54.79 54.41 2kr5 n ASP 33 Cb 0.55 -0.18 0.42 0.00 -1.03 0.00 0.00 41.12 40.89 2kr5 n ASP 33 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2kr5 h ASP 34 N 0.20 0.00 -4.22 -1.12 3.58 -1.98 -3.40 116.42 109.48 2kr5 h ASP 34 Ca 0.00 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.96 2kr5 h ASP 34 Cb 0.27 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.37 2kr5 h ASP 34 CO 0.00 0.19 0.38 -0.44 -2.88 0.00 0.00 179.24 176.49 2kr5 s SER 35 N -6.13 6.18 -0.11 2.28 0.01 -1.14 -4.99 113.70 109.80 2kr5 s SER 35 Ca 0.02 1.66 0.01 0.00 1.31 0.00 0.00 55.95 58.94 2kr5 s SER 35 Cb 0.09 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.83 2kr5 s SER 35 CO 0.63 -0.89 -0.12 0.21 0.41 0.00 0.00 173.24 173.48 2kr5 s ASN 36 N -3.11 2.28 0.10 2.44 3.84 -1.26 -2.67 114.94 116.56 2kr5 s ASN 36 Ca 0.60 -0.38 -0.28 0.00 0.21 0.00 0.00 52.86 53.01 2kr5 s ASN 36 Cb -0.13 -0.98 -0.12 0.00 -0.55 0.00 0.00 41.25 39.48 2kr5 s ASN 36 CO 0.37 -0.03 1.64 -0.26 -2.79 0.00 0.00 177.10 176.03 2kr5 h PHE 37 N 7.67 -0.70 0.00 0.43 0.04 -0.64 0.22 116.94 123.96 2kr5 h PHE 37 Ca -0.32 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.38 2kr5 h PHE 37 Cb 1.16 0.27 -0.01 0.00 2.20 0.00 0.00 35.95 39.57 2kr5 h PHE 37 CO 0.48 -0.38 -0.37 0.00 -0.60 0.00 0.00 178.31 177.44 2kr5 h ALA 38 N 0.10 1.01 0.00 2.45 0.00 -1.77 0.07 119.26 121.11 2kr5 h ALA 38 Ca -0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 2kr5 h ALA 38 Cb 0.51 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2kr5 h ALA 38 CO -0.07 0.46 -0.64 0.22 0.00 0.00 0.00 179.25 179.23 2kr5 h ASP 39 N 0.00 0.00 1.27 0.00 3.58 -1.74 -3.12 116.42 116.42 2kr5 h ASP 39 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kr5 h ASP 39 Cb 0.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2kr5 h ASP 39 CO 0.05 0.64 -0.23 0.24 -2.88 0.00 0.00 179.24 177.06 2kr5 h MET 40 N 0.00 0.00 0.00 0.28 2.86 0.00 -3.47 114.93 114.61 2kr5 h MET 40 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2kr5 h MET 40 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2kr5 h MET 40 CO 0.08 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.46 2kr5 n GLY 41 N 1.31 1.30 3.58 8.32 0.00 -1.04 -5.05 105.19 113.61 2kr5 n GLY 41 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2kr5 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kr5 s ILE 42 N -2.00 3.40 0.96 -0.61 -1.09 -0.04 -4.97 121.20 116.84 2kr5 s ILE 42 Ca 0.00 0.36 -0.16 0.00 -2.23 0.00 0.00 60.65 58.63 2kr5 s ILE 42 Cb 0.00 -3.65 0.19 0.00 -1.58 0.00 0.00 42.46 37.42 2kr5 s ILE 42 CO 0.00 -0.49 1.31 -1.81 -1.23 0.00 0.00 174.94 172.72 2kr5 s ASP 43 N 7.07 3.18 0.47 3.58 1.01 -1.26 -4.43 116.67 126.29 2kr5 s ASP 43 Ca 0.79 0.30 0.14 0.00 0.71 0.00 0.00 52.55 54.49 2kr5 s ASP 43 Cb -0.20 -0.37 1.12 0.00 1.01 0.00 0.00 42.92 44.48 2kr5 s ASP 43 CO 0.30 -2.70 2.07 -1.28 0.21 0.00 0.00 175.17 173.77 2kr5 h SER 44 N -1.62 0.21 0.71 0.27 0.87 -1.98 -2.32 113.55 109.68 2kr5 h SER 44 Ca -0.45 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 2kr5 h SER 44 Cb 1.24 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2kr5 h SER 44 CO 0.40 0.14 -0.34 0.25 -0.53 0.00 0.00 176.83 176.75 2kr5 h LEU 45 N 0.24 -0.80 -0.51 2.23 7.12 -1.99 -2.58 115.31 119.02 2kr5 h LEU 45 Ca 0.13 0.03 -0.14 0.00 0.13 0.00 0.00 57.88 58.03 2kr5 h LEU 45 Cb 0.22 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 2kr5 h LEU 45 CO -0.02 -0.57 -0.27 0.28 -0.13 0.00 0.00 178.44 177.72 2kr5 h SER 46 N -0.96 0.96 0.51 1.25 0.02 -1.90 -2.45 113.55 110.98 2kr5 h SER 46 Ca -0.10 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 2kr5 h SER 46 Cb 0.73 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 2kr5 h SER 46 CO 0.16 1.17 -0.05 0.77 -1.14 0.00 0.00 176.83 177.73 2kr5 h SER 47 N 0.79 0.00 0.16 3.07 4.64 -1.47 0.52 113.55 121.25 2kr5 h SER 47 Ca 0.09 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.19 2kr5 h SER 47 Cb 0.85 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.96 2kr5 h SER 47 CO 0.07 0.05 -0.96 -0.03 -0.87 0.00 0.00 176.83 175.09 2kr5 h MET 48 N 0.00 0.34 -0.17 4.77 -1.53 -1.15 -3.17 114.93 114.03 2kr5 h MET 48 Ca -0.00 -0.58 -0.01 0.00 -3.44 0.00 0.00 59.70 55.67 2kr5 h MET 48 Cb 0.32 0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 31.58 2kr5 h MET 48 CO 0.01 1.28 0.07 0.28 0.14 0.00 0.00 176.91 178.69 2kr5 h VAL 49 N -0.28 1.14 -0.05 -5.77 2.07 -0.81 -2.21 116.25 110.34 2kr5 h VAL 49 Ca -0.17 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 66.97 2kr5 h VAL 49 Cb 1.74 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.56 2kr5 h VAL 49 CO 0.17 0.13 -0.39 0.40 0.02 0.00 0.00 177.57 177.90 2kr5 h ILE 50 N 0.13 0.19 -0.05 4.57 2.04 -1.09 -0.12 117.51 123.18 2kr5 h ILE 50 Ca 0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 2kr5 h ILE 50 Cb 0.14 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2kr5 h ILE 50 CO -0.01 0.00 -0.16 1.23 0.00 0.00 0.00 178.15 179.21 2kr5 h GLY 51 N -0.51 0.08 1.13 5.37 0.00 -1.63 -2.04 103.07 105.47 2kr5 h GLY 51 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 2kr5 h GLY 51 CO -0.34 0.04 -0.02 0.23 0.00 0.00 0.00 176.54 176.46 2kr5 h SER 52 N 0.07 1.01 0.42 0.19 0.87 -0.63 -2.69 113.55 112.80 2kr5 h SER 52 Ca 0.01 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 2kr5 h SER 52 Cb 0.34 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2kr5 h SER 52 CO 0.02 1.08 -0.10 0.03 -0.53 0.00 0.00 176.83 177.33 2kr5 h ARG 53 N 0.94 0.00 -0.90 2.24 3.08 -0.32 -0.66 114.38 118.77 2kr5 h ARG 53 Ca 0.16 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.26 2kr5 h ARG 53 Cb 0.57 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 2kr5 h ARG 53 CO 0.03 0.10 0.59 0.74 -1.07 0.00 0.00 179.97 180.36 2kr5 h PHE 54 N 0.00 1.08 0.00 3.04 -1.00 -1.30 -0.22 116.94 118.54 2kr5 h PHE 54 Ca -0.00 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.71 2kr5 h PHE 54 Cb 0.34 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 2kr5 h PHE 54 CO 0.00 0.61 -0.44 0.00 -1.61 0.00 0.00 178.31 176.87 2kr5 h ARG 55 N 1.10 0.00 0.06 1.51 3.08 -1.20 0.77 114.38 119.70 2kr5 h ARG 55 Ca 0.36 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 2kr5 h ARG 55 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2kr5 h ARG 55 CO -0.11 0.44 -0.03 0.93 -1.07 0.00 0.00 179.97 180.13 2kr5 h GLU 56 N 0.00 -0.08 0.00 0.04 5.08 -0.93 -3.34 114.58 115.36 2kr5 h GLU 56 Ca -0.00 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2kr5 h GLU 56 Cb 1.30 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 2kr5 h GLU 56 CO 0.06 -0.05 -0.78 0.22 -1.00 0.00 0.00 179.01 177.45 2kr5 h ASP 57 N -0.81 0.00 0.80 1.42 1.82 -1.24 -3.39 116.42 115.02 2kr5 h ASP 57 Ca -0.01 -0.39 -0.10 0.00 -0.39 0.00 0.00 57.03 56.14 2kr5 h ASP 57 Cb 0.06 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 2kr5 h ASP 57 CO 0.01 1.14 -0.49 -0.07 -1.61 0.00 0.00 179.24 178.23 2kr5 h LEU 58 N -1.00 0.00 0.47 2.28 4.07 -1.57 -3.47 115.31 116.09 2kr5 h LEU 58 Ca -0.18 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.69 2kr5 h LEU 58 Cb 0.94 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.68 2kr5 h LEU 58 CO -0.11 0.49 -0.12 0.61 -1.08 0.00 0.00 178.44 178.23 2kr5 n GLY 59 N 0.31 0.23 3.62 0.83 0.00 0.12 -4.99 105.19 105.30 2kr5 n GLY 59 Ca -0.00 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 2kr5 n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kr5 s LEU 60 N -1.43 3.92 -1.25 0.99 1.43 -0.35 -4.95 118.68 117.05 2kr5 s LEU 60 Ca 0.01 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 53.73 2kr5 s LEU 60 Cb -0.01 -3.40 0.16 0.00 0.03 0.00 0.00 46.19 42.97 2kr5 s LEU 60 CO 0.02 -0.92 1.65 -0.67 0.23 0.00 0.00 176.35 176.66 2kr5 n ASP 61 N 6.95 5.13 -0.02 2.29 2.03 -1.26 -4.01 116.55 127.65 2kr5 n ASP 61 Ca 0.10 -3.03 -0.00 0.00 0.52 0.00 0.00 54.79 52.38 2kr5 n ASP 61 Cb 0.48 -1.54 -0.00 0.00 -0.72 0.00 0.00 41.12 39.33 2kr5 n ASP 61 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2kr5 h LEU 62 N 9.12 0.00 0.00 -2.67 3.38 -1.96 -3.50 115.31 119.68 2kr5 h LEU 62 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2kr5 h LEU 62 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2kr5 h LEU 62 CO 1.42 0.25 0.00 0.61 0.09 0.00 0.00 178.44 180.82 2kr5 n GLY 63 N 1.85 1.99 0.03 0.83 0.00 -1.26 -5.00 105.19 103.63 2kr5 n GLY 63 Ca -0.01 -0.94 0.14 0.00 0.00 0.00 0.00 46.02 45.21 2kr5 n GLY 63 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kr5 n PRO 64 N -0.74 0.21 -0.20 1.61 -0.04 -1.26 -3.71 135.00 130.88 2kr5 n PRO 64 Ca 0.00 -0.06 0.09 0.00 -0.04 0.00 0.00 63.50 63.49 2kr5 n PRO 64 Cb 0.00 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.14 2kr5 n PRO 64 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kr5 n GLU 65 N -1.34 1.72 -2.50 0.54 2.13 -1.26 -4.99 120.64 114.94 2kr5 n GLU 65 Ca 0.09 -2.69 -0.43 0.00 0.66 0.00 0.00 57.16 54.79 2kr5 n GLU 65 Cb 0.32 -1.60 -0.02 0.00 0.27 0.00 0.00 31.44 30.40 2kr5 n GLU 65 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2kr5 s PHE 66 N -2.89 2.72 -0.17 4.31 5.36 -1.24 -4.99 117.98 121.08 2kr5 s PHE 66 Ca 0.35 0.80 0.01 0.00 -0.96 0.00 0.00 56.93 57.12 2kr5 s PHE 66 Cb 0.30 -4.21 0.03 0.00 -0.34 0.00 0.00 43.02 38.80 2kr5 s PHE 66 CO 0.04 -1.48 -0.14 -1.12 -1.46 0.00 0.00 175.22 171.06 2kr5 s SER 67 N 2.82 3.05 0.38 6.13 0.01 -1.26 -4.77 113.70 120.06 2kr5 s SER 67 Ca 0.53 -0.67 0.07 0.00 1.31 0.00 0.00 55.95 57.19 2kr5 s SER 67 Cb -0.11 -1.28 0.74 0.00 0.21 0.00 0.00 66.02 65.58 2kr5 s SER 67 CO 0.28 -0.07 1.93 -0.07 0.41 0.00 0.00 173.24 175.72 2kr5 h LEU 68 N 7.99 0.37 -1.96 2.44 3.38 -1.87 -0.50 115.31 125.17 2kr5 h LEU 68 Ca -0.37 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2kr5 h LEU 68 Cb 1.12 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2kr5 h LEU 68 CO 0.54 0.43 0.02 0.15 0.09 0.00 0.00 178.44 179.67 2kr5 h PHE 69 N 0.39 0.00 0.00 1.13 3.57 -1.80 -0.23 116.94 119.99 2kr5 h PHE 69 Ca 0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2kr5 h PHE 69 Cb 0.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2kr5 h PHE 69 CO 0.01 0.00 -0.91 -0.89 -2.23 0.00 0.00 178.31 174.29 2kr5 n ILE 70 N -2.54 0.00 0.04 1.41 5.41 -0.96 -4.81 119.36 117.91 2kr5 n ILE 70 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.82 2kr5 n ILE 70 Cb 0.06 -0.47 0.19 0.00 -0.71 0.00 0.00 39.64 38.71 2kr5 n ILE 70 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2kr5 n ASP 71 N -2.42 3.13 -3.24 4.38 -0.08 -0.24 -4.70 116.55 113.38 2kr5 n ASP 71 Ca 0.00 -1.91 -0.14 0.00 -1.51 0.00 0.00 54.79 51.22 2kr5 n ASP 71 Cb 0.46 -0.25 -0.06 0.00 2.34 0.00 0.00 41.12 43.61 2kr5 n ASP 71 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kr5 h THR 73 N 4.95 0.17 -4.61 0.00 1.35 -1.84 -3.41 112.91 109.52 2kr5 h THR 73 Ca 0.09 -1.03 -0.41 0.00 -0.55 0.00 0.00 66.41 64.51 2kr5 h THR 73 Cb 1.06 0.32 0.11 0.00 -1.73 0.00 0.00 68.15 67.90 2kr5 h THR 73 CO 0.18 0.06 0.23 0.35 -0.25 0.00 0.00 175.52 176.09 2kr5 n THR 74 N -4.84 0.00 0.08 6.82 -2.24 -1.26 0.05 114.28 112.88 2kr5 n THR 74 Ca -0.02 -1.20 -0.22 0.00 -2.27 0.00 0.00 64.05 60.34 2kr5 n THR 74 Cb 0.09 -1.21 -0.15 0.00 -2.10 0.00 0.00 70.33 66.96 2kr5 n THR 74 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2kr5 h VAL 75 N -1.09 1.30 0.00 2.28 2.07 -1.73 -3.23 116.25 115.85 2kr5 h VAL 75 Ca -0.34 -2.56 -0.00 0.00 0.82 0.00 0.00 66.70 64.61 2kr5 h VAL 75 Cb 1.10 3.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.90 2kr5 h VAL 75 CO 0.30 0.76 -0.01 -0.09 0.02 0.00 0.00 177.57 178.56 2kr5 h ARG 76 N -0.15 0.00 -0.59 1.57 9.65 -1.85 -1.47 114.38 121.53 2kr5 h ARG 76 Ca -0.23 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.67 2kr5 h ARG 76 Cb 1.88 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 30.43 2kr5 h ARG 76 CO 0.18 0.01 0.39 0.00 2.80 0.00 0.00 179.97 183.35 2kr5 h ALA 77 N 1.99 1.62 -0.10 2.80 0.00 -1.93 0.19 119.26 123.84 2kr5 h ALA 77 Ca -0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2kr5 h ALA 77 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2kr5 h ALA 77 CO 0.00 0.34 -0.32 1.25 0.00 0.00 0.00 179.25 180.52 2kr5 h LEU 78 N 0.77 0.46 0.11 0.00 6.46 -1.37 -2.12 115.31 119.61 2kr5 h LEU 78 Ca 0.23 -0.61 0.01 0.00 -0.12 0.00 0.00 57.88 57.39 2kr5 h LEU 78 Cb -0.03 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 39.73 2kr5 h LEU 78 CO -0.05 0.99 -0.46 0.11 -0.62 0.00 0.00 178.44 178.40 2kr5 h LYS 79 N -0.05 -0.64 0.00 1.25 1.79 -1.01 -2.34 116.57 115.57 2kr5 h LYS 79 Ca -0.01 0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 2kr5 h LYS 79 Cb 0.95 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 2kr5 h LYS 79 CO 0.07 -0.43 -0.18 -0.44 -1.08 0.00 0.00 179.45 177.39 2kr5 h ASP 80 N -0.67 0.00 -0.43 0.86 5.19 -1.08 -2.51 116.42 117.78 2kr5 h ASP 80 Ca -0.01 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 2kr5 h ASP 80 Cb 0.67 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 2kr5 h ASP 80 CO -0.25 0.18 0.04 0.15 -3.12 0.00 0.00 179.24 176.23 2kr5 h PHE 81 N 0.00 0.86 -0.62 4.55 3.57 -0.87 -2.03 116.94 122.40 2kr5 h PHE 81 Ca -0.00 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 2kr5 h PHE 81 Cb 0.53 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 2kr5 h PHE 81 CO 0.00 0.77 0.31 0.52 -2.23 0.00 0.00 178.31 177.68 2kr5 h MET 82 N 0.77 0.89 0.00 1.11 2.86 -0.97 -1.93 114.93 117.66 2kr5 h MET 82 Ca 0.16 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2kr5 h MET 82 Cb 0.41 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2kr5 h MET 82 CO 0.01 0.70 0.00 -0.07 1.06 0.00 0.00 176.91 178.62 2kr5 h LEU 83 N 0.85 0.00 -8.40 1.22 4.07 -1.56 -0.28 115.31 111.21 2kr5 h LEU 83 Ca 0.21 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.82 2kr5 h LEU 83 Cb 0.10 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 2kr5 h LEU 83 CO -0.03 0.00 0.99 -0.83 -1.08 0.00 0.00 178.44 177.49 2kr5 s GLY 84 N -3.88 -0.06 -0.03 0.83 0.00 -0.73 -4.37 107.32 99.08 2kr5 s GLY 84 Ca 0.06 -0.86 0.18 0.00 0.00 0.00 0.00 44.72 44.10 2kr5 s GLY 84 CO 0.55 3.68 1.48 -1.26 0.00 0.00 0.00 173.10 177.54 2kr5 n SER 85 N 14.56 3.86 0.00 1.64 2.88 -1.26 -3.22 113.62 132.08 2kr5 n SER 85 Ca 0.34 -2.15 0.00 0.00 -1.33 0.00 0.00 58.87 55.72 2kr5 n SER 85 Cb 0.49 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2kr5 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kr5 n GLY 86 N 1.11 3.71 0.00 0.46 0.00 -1.26 -2.12 105.19 107.09 2kr5 n GLY 86 Ca 0.21 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2kr5 n GLY 86 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kr5 n ASP 87 N 0.00 0.00 -0.88 1.61 2.03 -1.26 -4.98 116.55 113.06 2kr5 n ASP 87 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kr5 n ASP 87 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2kr5 n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kr5 n ALA 88 N -1.59 -1.65 0.00 -1.67 0.00 -1.26 -5.02 120.51 109.31 2kr5 n ALA 88 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2kr5 n ALA 88 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2kr5 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91