#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr5 s MET 2 N 0.00 3.69 -0.26 0.00 1.00 -1.26 -4.98 119.30 117.50 2kr5 s MET 2 Ca 0.00 -3.06 -0.26 0.00 0.00 0.00 0.00 55.69 52.37 2kr5 s MET 2 Cb 0.00 -4.29 0.13 0.00 0.00 0.00 0.00 34.83 30.67 2kr5 s MET 2 CO 0.00 -1.25 1.06 0.00 0.00 0.00 0.00 175.02 174.83 2kr5 s ALA 3 N -0.96 -1.98 -0.15 3.03 0.00 -1.26 -5.16 121.76 115.27 2kr5 s ALA 3 Ca 0.26 1.80 -0.07 0.00 0.00 0.00 0.00 51.96 53.95 2kr5 s ALA 3 Cb -0.10 -1.32 0.06 0.00 0.00 0.00 0.00 23.12 21.76 2kr5 s ALA 3 CO -0.09 -0.24 0.35 0.21 0.00 0.00 0.00 175.76 175.98 2kr5 s LYS 4 N -0.06 0.31 -0.01 0.00 2.20 -1.26 -5.14 119.74 115.78 2kr5 s LYS 4 Ca 0.03 0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 56.04 2kr5 s LYS 4 Cb -0.04 -0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 2kr5 s LYS 4 CO -0.05 -0.17 1.22 0.20 -0.36 0.00 0.00 175.35 176.19 2kr5 s GLY 5 N 1.45 2.17 0.00 5.54 0.00 -1.26 -4.94 107.32 110.28 2kr5 s GLY 5 Ca -0.09 0.72 0.00 0.00 0.00 0.00 0.00 44.72 45.35 2kr5 s GLY 5 CO -0.11 2.19 0.03 -0.62 0.00 0.00 0.00 173.10 174.59 2kr5 n VAL 6 N 4.42 0.00 -0.57 1.40 0.31 -1.26 -4.97 118.33 117.65 2kr5 n VAL 6 Ca 0.11 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 2kr5 n VAL 6 Cb 0.46 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 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 2.15 -1.18 3.74 2.92 0.00 -1.04 -5.05 105.19 106.73 2kr5 n GLY 7 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 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 4.04 0.78 1.61 -7.23 -1.17 -4.98 120.40 113.46 2kr5 s VAL 8 Ca 0.00 -1.45 -0.07 0.00 -1.81 0.00 0.00 61.98 58.65 2kr5 s VAL 8 Cb 0.00 -3.11 0.12 0.00 0.56 0.00 0.00 36.38 33.95 2kr5 s VAL 8 CO 0.00 -0.24 1.09 -0.55 -0.31 0.00 0.00 175.10 175.10 2kr5 s SER 9 N -3.40 4.18 0.61 4.85 0.15 -1.26 -4.84 113.70 114.00 2kr5 s SER 9 Ca 0.31 0.14 0.37 0.00 0.70 0.00 0.00 55.95 57.47 2kr5 s SER 9 Cb -0.08 -0.53 2.02 0.00 -1.71 0.00 0.00 66.02 65.71 2kr5 s SER 9 CO 0.22 -2.00 2.26 -1.13 1.20 0.00 0.00 173.24 173.78 2kr5 h ASN 10 N -0.87 0.00 0.27 5.45 -0.00 -2.00 -0.89 115.58 117.55 2kr5 h ASN 10 Ca -0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 55.87 2kr5 h ASN 10 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.60 2kr5 h ASN 10 CO 0.47 0.02 -0.13 -0.08 -0.00 0.00 0.00 177.43 177.71 2kr5 h GLU 11 N 0.00 -0.35 0.00 6.67 4.81 -1.98 0.24 114.58 123.97 2kr5 h GLU 11 Ca -0.00 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2kr5 h GLU 11 Cb 0.11 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2kr5 h GLU 11 CO 0.00 -0.16 -0.20 0.87 -0.73 0.00 0.00 179.01 178.80 2kr5 h LYS 12 N -0.48 0.00 0.00 1.92 1.79 -1.64 -0.30 116.57 117.85 2kr5 h LYS 12 Ca -0.04 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 2kr5 h LYS 12 Cb 0.36 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2kr5 h LYS 12 CO 0.06 0.20 -0.50 1.25 -1.08 0.00 0.00 179.45 179.38 2kr5 h LEU 13 N 0.00 0.00 0.00 2.94 5.85 -0.94 -2.02 115.31 121.13 2kr5 h LEU 13 Ca -0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 2kr5 h LEU 13 Cb 0.71 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 2kr5 h LEU 13 CO 0.03 0.50 -1.22 -0.78 -0.34 0.00 0.00 178.44 176.62 2kr5 h ASP 14 N 0.00 0.00 1.11 1.25 3.58 0.50 -3.31 116.42 119.55 2kr5 h ASP 14 Ca -0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 2kr5 h ASP 14 Cb 1.13 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.15 2kr5 h ASP 14 CO 0.06 0.96 -0.93 0.00 -2.88 0.00 0.00 179.24 176.46 2kr5 h ALA 15 N 1.04 0.58 -0.27 -0.78 0.00 -1.05 -3.25 119.26 115.53 2kr5 h ALA 15 Ca -0.11 -0.75 -0.08 0.00 0.00 0.00 0.00 54.91 53.97 2kr5 h ALA 15 Cb 1.82 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2kr5 h ALA 15 CO 0.11 0.95 -0.15 -0.24 0.00 0.00 0.00 179.25 179.92 2kr5 h VAL 16 N 0.00 1.30 -0.04 0.00 3.04 -1.48 -2.98 116.25 116.08 2kr5 h VAL 16 Ca -0.06 -1.25 -0.05 0.00 -1.01 0.00 0.00 66.70 64.34 2kr5 h VAL 16 Cb 1.59 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 32.40 2kr5 h VAL 16 CO 0.08 0.39 -0.19 0.24 -1.01 0.00 0.00 177.57 177.09 2kr5 h MET 17 N 0.31 0.07 0.00 4.17 2.07 -1.65 0.38 114.93 120.28 2kr5 h MET 17 Ca 0.06 -0.02 -0.10 0.00 -2.07 0.00 0.00 59.70 57.57 2kr5 h MET 17 Cb 0.67 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.37 2kr5 h MET 17 CO 0.04 0.26 -0.50 0.07 1.07 0.00 0.00 176.91 177.86 2kr5 h ARG 18 N 0.07 0.00 0.08 1.72 0.11 -1.58 -0.26 114.38 114.51 2kr5 h ARG 18 Ca 0.01 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.82 2kr5 h ARG 18 Cb 0.38 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.44 2kr5 h ARG 18 CO 0.03 0.50 -1.36 0.28 0.10 0.00 0.00 179.97 179.51 2kr5 h VAL 19 N 0.00 1.33 -0.21 0.08 2.07 -1.14 -3.23 116.25 115.14 2kr5 h VAL 19 Ca -0.00 -3.00 -0.10 0.00 0.82 0.00 0.00 66.70 64.42 2kr5 h VAL 19 Cb 1.09 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 33.63 2kr5 h VAL 19 CO 0.06 0.83 -0.31 0.58 0.02 0.00 0.00 177.57 178.75 2kr5 h VAL 20 N 0.04 1.28 0.17 2.57 2.07 -0.81 -2.98 116.25 118.59 2kr5 h VAL 20 Ca -0.17 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 65.99 2kr5 h VAL 20 Cb 1.95 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 2kr5 h VAL 20 CO 0.15 0.43 -0.15 0.28 0.02 0.00 0.00 177.57 178.30 2kr5 h SER 21 N 0.37 -0.39 0.35 0.57 0.02 -1.07 -1.39 113.55 112.02 2kr5 h SER 21 Ca 0.05 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2kr5 h SER 21 Cb 0.74 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 2kr5 h SER 21 CO 0.06 -0.23 -0.48 -0.33 -1.14 0.00 0.00 176.83 174.71 2kr5 h GLU 22 N -0.34 -0.84 0.00 3.45 4.39 -1.58 0.83 114.58 120.49 2kr5 h GLU 22 Ca -0.00 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2kr5 h GLU 22 Cb 0.31 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2kr5 h GLU 22 CO -0.03 -0.56 0.00 0.93 -1.16 0.00 0.00 179.01 178.19 2kr5 h GLU 23 N -0.87 0.00 0.02 2.33 4.39 -1.51 -3.23 114.58 115.70 2kr5 h GLU 23 Ca -0.03 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.30 2kr5 h GLU 23 Cb 0.80 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.39 2kr5 h GLU 23 CO -0.14 0.00 -2.31 0.43 -1.16 0.00 0.00 179.01 175.84 2kr5 n SER 24 N -2.70 1.19 0.00 1.42 7.64 -0.53 -4.95 113.62 115.70 2kr5 n SER 24 Ca 0.05 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2kr5 n SER 24 Cb 0.47 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2kr5 n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kr5 n GLY 25 N 1.98 0.84 3.35 0.23 0.00 0.27 -4.98 105.19 106.88 2kr5 n GLY 25 Ca -0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.08 4.58 0.59 -0.61 1.01 -1.14 -5.03 121.20 118.52 2kr5 s ILE 26 Ca 0.00 -1.05 -0.19 0.00 0.00 0.00 0.00 60.65 59.41 2kr5 s ILE 26 Cb 0.00 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2kr5 s ILE 26 CO 0.00 -0.37 1.06 0.00 0.00 0.00 0.00 174.94 175.63 2kr5 n ALA 27 N 5.01 0.48 -0.27 9.38 0.00 -1.26 -3.99 120.51 129.86 2kr5 n ALA 27 Ca -0.11 0.03 0.27 0.00 0.00 0.00 0.00 53.44 53.63 2kr5 n ALA 27 Cb 0.45 -2.17 0.63 0.00 0.00 0.00 0.00 19.45 18.36 2kr5 n ALA 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2kr5 h LEU 28 N 0.67 0.20 -0.93 0.00 5.85 -1.94 0.32 115.31 119.48 2kr5 h LEU 28 Ca -0.49 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 2kr5 h LEU 28 Cb 1.35 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 2kr5 h LEU 28 CO 0.52 0.05 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.22 2kr5 h GLU 29 N 0.19 0.00 -0.01 1.25 4.39 -1.99 -2.90 114.58 115.50 2kr5 h GLU 29 Ca 0.52 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.22 2kr5 h GLU 29 Cb 1.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 2kr5 h GLU 29 CO -0.12 0.13 -0.10 0.39 -1.16 0.00 0.00 179.01 178.15 2kr5 n GLU 30 N -3.22 1.24 -2.37 2.33 1.02 0.93 -4.87 120.64 115.71 2kr5 n GLU 30 Ca 0.01 -1.06 -0.39 0.00 -0.02 0.00 0.00 57.16 55.70 2kr5 n GLU 30 Cb 0.43 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.60 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 -1.36 3.26 0.18 -4.62 0.20 -0.12 -4.90 118.68 111.33 2kr5 s LEU 31 Ca 0.14 -0.49 0.05 0.00 0.69 0.00 0.00 54.13 54.51 2kr5 s LEU 31 Cb 0.11 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.28 2kr5 s LEU 31 CO 0.22 -2.01 0.18 0.42 -0.29 0.00 0.00 176.35 174.87 2kr5 s THR 32 N 6.91 4.65 -0.73 3.68 -4.23 -1.26 -4.99 115.64 119.66 2kr5 s THR 32 Ca 0.49 -1.08 0.23 0.00 -1.18 0.00 0.00 61.69 60.15 2kr5 s THR 32 Cb -0.07 -3.41 0.23 0.00 1.34 0.00 0.00 72.50 70.59 2kr5 s THR 32 CO 0.09 -0.17 1.71 -0.90 -0.54 0.00 0.00 174.62 174.82 2kr5 n ASP 33 N -0.60 0.47 0.08 3.99 5.75 -1.26 -2.74 116.55 122.23 2kr5 n ASP 33 Ca -0.08 0.58 0.06 0.00 -0.01 0.00 0.00 54.79 55.34 2kr5 n ASP 33 Cb 0.55 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 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 0.00 0.00 -4.07 -1.12 3.58 -1.97 -2.93 116.42 109.90 2kr5 h ASP 34 Ca 0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 2kr5 h ASP 34 Cb 0.46 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.60 2kr5 h ASP 34 CO 0.00 0.29 0.47 -0.44 -2.88 0.00 0.00 179.24 176.67 2kr5 s SER 35 N -5.65 5.60 -0.19 2.28 0.01 -1.11 -4.83 113.70 109.80 2kr5 s SER 35 Ca -0.01 2.31 -0.04 0.00 1.31 0.00 0.00 55.95 59.51 2kr5 s SER 35 Cb 0.09 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 2kr5 s SER 35 CO 0.79 -1.31 -0.03 0.21 0.41 0.00 0.00 173.24 173.32 2kr5 s ASN 36 N -1.59 4.65 0.13 2.44 3.04 -1.26 -2.57 114.94 119.78 2kr5 s ASN 36 Ca 0.73 -0.23 -0.20 0.00 0.04 0.00 0.00 52.86 53.19 2kr5 s ASN 36 Cb -0.28 -1.78 -0.01 0.00 -1.54 0.00 0.00 41.25 37.64 2kr5 s ASN 36 CO 0.31 0.08 1.69 -0.26 -3.04 0.00 0.00 177.10 175.88 2kr5 h PHE 37 N 7.39 -0.22 -0.15 0.43 0.04 -1.74 -0.35 116.94 122.35 2kr5 h PHE 37 Ca -0.35 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.38 2kr5 h PHE 37 Cb 1.18 0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.45 2kr5 h PHE 37 CO 0.57 -0.15 -0.19 0.00 -0.60 0.00 0.00 178.31 177.94 2kr5 h ALA 38 N 1.10 1.41 -0.16 2.45 0.00 -1.83 -0.24 119.26 121.99 2kr5 h ALA 38 Ca 0.11 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 2kr5 h ALA 38 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kr5 h ALA 38 CO -0.24 0.41 -0.56 0.22 0.00 0.00 0.00 179.25 179.08 2kr5 h ASP 39 N 0.23 0.54 1.59 0.00 1.82 -1.78 -2.92 116.42 115.90 2kr5 h ASP 39 Ca 0.04 -0.29 -0.01 0.00 -0.39 0.00 0.00 57.03 56.38 2kr5 h ASP 39 Cb 0.47 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.33 2kr5 h ASP 39 CO 0.03 0.99 -0.04 -0.03 -1.61 0.00 0.00 179.24 178.58 2kr5 h MET 40 N 0.37 0.00 0.00 0.28 4.05 -0.53 -3.47 114.93 115.64 2kr5 h MET 40 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kr5 h MET 40 Cb 1.09 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 2kr5 h MET 40 CO 0.10 0.04 0.00 0.41 0.23 0.00 0.00 176.91 177.69 2kr5 n GLY 41 N 0.70 1.67 3.59 1.39 0.00 -0.79 -5.05 105.19 106.70 2kr5 n GLY 41 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 3.41 0.77 -0.61 -1.09 -0.17 -4.98 121.20 116.54 2kr5 s ILE 42 Ca 0.00 0.39 -0.10 0.00 -2.23 0.00 0.00 60.65 58.71 2kr5 s ILE 42 Cb 0.00 -3.64 0.08 0.00 -1.58 0.00 0.00 42.46 37.32 2kr5 s ILE 42 CO 0.00 -0.46 1.12 -0.62 -1.23 0.00 0.00 174.94 173.75 2kr5 s ASP 43 N 6.81 4.54 0.26 3.58 2.15 -1.26 -4.67 116.67 128.08 2kr5 s ASP 43 Ca 0.79 0.59 -0.03 0.00 0.43 0.00 0.00 52.55 54.34 2kr5 s ASP 43 Cb -0.21 -1.12 0.40 0.00 -0.30 0.00 0.00 42.92 41.69 2kr5 s ASP 43 CO 0.31 -1.83 1.86 0.77 -0.17 0.00 0.00 175.17 176.11 2kr5 h SER 44 N -0.90 0.94 0.15 -0.34 4.64 -1.96 0.95 113.55 117.04 2kr5 h SER 44 Ca -0.45 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 2kr5 h SER 44 Cb 1.32 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 2kr5 h SER 44 CO 0.61 0.59 -0.19 0.25 -0.87 0.00 0.00 176.83 177.22 2kr5 h LEU 45 N 1.07 -0.51 -0.64 5.97 7.12 -1.99 0.94 115.31 127.26 2kr5 h LEU 45 Ca 0.42 0.05 -0.03 0.00 0.13 0.00 0.00 57.88 58.45 2kr5 h LEU 45 Cb 0.21 0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.50 2kr5 h LEU 45 CO -0.19 -0.28 0.30 0.28 -0.13 0.00 0.00 178.44 178.42 2kr5 h SER 46 N -0.39 0.86 -0.91 1.25 0.02 -1.81 -0.63 113.55 111.94 2kr5 h SER 46 Ca 0.01 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2kr5 h SER 46 Cb 0.38 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 2kr5 h SER 46 CO -0.07 0.76 0.60 0.28 -1.14 0.00 0.00 176.83 177.26 2kr5 h SER 47 N 0.89 1.05 -0.20 3.07 0.02 -0.50 0.69 113.55 118.58 2kr5 h SER 47 Ca 0.22 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2kr5 h SER 47 Cb 0.14 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2kr5 h SER 47 CO -0.03 0.76 -0.06 -0.03 -1.14 0.00 0.00 176.83 176.34 2kr5 h MET 48 N 1.24 0.39 0.37 3.45 -1.53 -0.31 -2.32 114.93 116.22 2kr5 h MET 48 Ca 0.33 -0.16 -0.01 0.00 -3.44 0.00 0.00 59.70 56.43 2kr5 h MET 48 Cb -0.14 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 30.88 2kr5 h MET 48 CO -0.07 0.65 -0.28 0.28 0.14 0.00 0.00 176.91 177.64 2kr5 h VAL 49 N 0.11 0.43 -0.30 -5.77 2.07 -0.52 0.15 116.25 112.42 2kr5 h VAL 49 Ca 0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.64 2kr5 h VAL 49 Cb 0.51 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 2kr5 h VAL 49 CO 0.02 0.00 -0.23 0.40 0.02 0.00 0.00 177.57 177.78 2kr5 h ILE 50 N -0.64 0.39 -0.76 4.57 2.04 -0.91 0.32 117.51 122.53 2kr5 h ILE 50 Ca -0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 2kr5 h ILE 50 Cb 0.55 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2kr5 h ILE 50 CO 0.00 0.00 0.50 1.23 0.00 0.00 0.00 178.15 179.88 2kr5 h GLY 51 N -0.21 1.05 0.90 5.37 0.00 -1.20 -0.64 103.07 108.34 2kr5 h GLY 51 Ca 0.16 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 2kr5 h GLY 51 CO -0.42 0.31 -0.05 0.23 0.00 0.00 0.00 176.54 176.61 2kr5 h SER 52 N 0.92 0.58 0.72 0.19 0.87 0.73 -2.89 113.55 114.67 2kr5 h SER 52 Ca 0.30 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 2kr5 h SER 52 Cb 0.06 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2kr5 h SER 52 CO -0.09 0.80 -0.07 0.03 -0.53 0.00 0.00 176.83 176.97 2kr5 h ARG 53 N 0.36 0.00 -0.69 2.24 3.08 0.31 0.10 114.38 119.78 2kr5 h ARG 53 Ca 0.08 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.16 2kr5 h ARG 53 Cb 0.53 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 2kr5 h ARG 53 CO 0.03 0.07 0.43 0.74 -1.07 0.00 0.00 179.97 180.17 2kr5 h PHE 54 N 0.00 0.81 0.00 3.04 0.04 -0.93 0.17 116.94 120.07 2kr5 h PHE 54 Ca -0.00 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.63 2kr5 h PHE 54 Cb 0.46 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 2kr5 h PHE 54 CO 0.00 0.47 -0.75 0.00 -0.60 0.00 0.00 178.31 177.43 2kr5 h ARG 55 N 0.85 0.00 0.26 1.51 3.08 -0.84 0.57 114.38 119.81 2kr5 h ARG 55 Ca 0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 2kr5 h ARG 55 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2kr5 h ARG 55 CO -0.10 0.75 -0.13 0.93 -1.07 0.00 0.00 179.97 180.35 2kr5 h GLU 56 N 0.00 -0.34 0.09 0.04 5.08 -0.50 -3.22 114.58 115.72 2kr5 h GLU 56 Ca -0.01 0.02 -0.32 0.00 -1.00 0.00 0.00 59.36 58.05 2kr5 h GLU 56 Cb 1.46 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 2kr5 h GLU 56 CO 0.10 -0.23 -1.74 0.22 -1.00 0.00 0.00 179.01 176.36 2kr5 h ASP 57 N -0.71 0.30 0.02 1.42 3.58 -0.82 -3.40 116.42 116.81 2kr5 h ASP 57 Ca -0.04 -0.54 -0.39 0.00 0.42 0.00 0.00 57.03 56.48 2kr5 h ASP 57 Cb 0.27 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 2kr5 h ASP 57 CO 0.06 1.47 -2.42 0.18 -2.88 0.00 0.00 179.24 175.66 2kr5 n LEU 58 N -3.36 2.93 -0.02 2.28 4.32 -0.85 -5.02 117.00 117.28 2kr5 n LEU 58 Ca -0.22 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.68 2kr5 n LEU 58 Cb 1.05 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 2kr5 n LEU 58 CO 0.46 0.93 0.00 0.61 -1.22 0.00 0.00 177.39 178.17 2kr5 n GLY 59 N 2.22 1.52 3.54 -0.72 0.00 0.19 -4.98 105.19 106.96 2kr5 n GLY 59 Ca -0.44 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.03 3.50 -1.24 0.99 1.43 -0.68 -4.90 118.68 117.75 2kr5 s LEU 60 Ca 0.00 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 2kr5 s LEU 60 Cb 0.00 -2.72 0.20 0.00 0.03 0.00 0.00 46.19 43.70 2kr5 s LEU 60 CO 0.00 -1.63 1.80 0.47 0.23 0.00 0.00 176.35 177.21 2kr5 n ASP 61 N 8.72 5.42 -0.11 2.29 8.00 -1.26 -4.09 116.55 135.52 2kr5 n ASP 61 Ca 0.03 -3.18 0.13 0.00 0.71 0.00 0.00 54.79 52.48 2kr5 n ASP 61 Cb 0.48 -1.43 0.40 0.00 -0.02 0.00 0.00 41.12 40.55 2kr5 n ASP 61 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kr5 n LEU 62 N 3.24 0.63 0.00 0.64 4.77 -1.26 -5.05 117.00 119.97 2kr5 n LEU 62 Ca 0.37 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2kr5 n LEU 62 Cb 0.35 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2kr5 n LEU 62 CO 0.80 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 2kr5 n GLY 63 N 1.40 1.39 0.04 -0.72 0.00 -1.26 -4.71 105.19 101.32 2kr5 n GLY 63 Ca 0.10 -2.13 0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 0.20 0.16 -0.06 1.61 -0.04 -1.26 -3.95 135.00 131.66 2kr5 n PRO 64 Ca 0.00 -0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.49 2kr5 n PRO 64 Cb 0.00 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.35 1.59 -3.18 0.54 2.13 -1.26 -4.80 120.64 114.31 2kr5 n GLU 65 Ca 0.07 -0.88 -0.40 0.00 0.66 0.00 0.00 57.16 56.61 2kr5 n GLU 65 Cb 0.33 -1.39 -0.07 0.00 0.27 0.00 0.00 31.44 30.58 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 -1.85 3.28 -0.04 4.31 5.36 -1.25 -5.04 117.98 122.75 2kr5 s PHE 66 Ca 0.33 0.73 -0.02 0.00 -0.96 0.00 0.00 56.93 57.01 2kr5 s PHE 66 Cb 0.17 -2.76 0.03 0.00 -0.34 0.00 0.00 43.02 40.12 2kr5 s PHE 66 CO 0.27 -0.28 0.06 -1.12 -1.46 0.00 0.00 175.22 172.68 2kr5 s SER 67 N 1.47 0.86 0.18 6.13 0.01 -1.26 -4.87 113.70 116.23 2kr5 s SER 67 Ca 0.23 0.08 -0.14 0.00 1.31 0.00 0.00 55.95 57.44 2kr5 s SER 67 Cb -0.16 -0.10 0.14 0.00 0.21 0.00 0.00 66.02 66.11 2kr5 s SER 67 CO 0.09 -0.22 1.76 -0.07 0.41 0.00 0.00 173.24 175.20 2kr5 h LEU 68 N 8.16 0.20 -0.54 2.44 3.38 -1.88 -2.07 115.31 125.01 2kr5 h LEU 68 Ca -0.20 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kr5 h LEU 68 Cb 1.12 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2kr5 h LEU 68 CO 0.23 0.15 0.10 0.33 0.09 0.00 0.00 178.44 179.34 2kr5 n PHE 69 N -4.99 0.28 -0.03 1.13 7.35 -1.26 -0.11 117.46 119.82 2kr5 n PHE 69 Ca 0.04 0.14 -0.04 0.00 -0.76 0.00 0.00 57.45 56.83 2kr5 n PHE 69 Cb 0.17 -0.65 -0.03 0.00 0.35 0.00 0.00 39.48 39.33 2kr5 n PHE 69 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2kr5 n ILE 70 N -1.76 0.36 -0.02 -2.13 5.41 -0.86 -4.82 119.36 115.54 2kr5 n ILE 70 Ca -0.01 -0.13 0.01 0.00 1.00 0.00 0.00 62.75 63.62 2kr5 n ILE 70 Cb 0.12 -0.77 0.03 0.00 -0.71 0.00 0.00 39.64 38.31 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 -2.72 2.07 -3.57 4.38 2.03 -0.83 -4.94 116.55 112.98 2kr5 n ASP 71 Ca -0.11 -1.91 -0.17 0.00 0.52 0.00 0.00 54.79 53.11 2kr5 n ASP 71 Cb 0.62 -0.04 -0.14 0.00 -0.72 0.00 0.00 41.12 40.84 2kr5 n ASP 71 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kr5 n THR 73 N 5.33 0.00 -1.63 0.00 -2.24 -1.26 -4.32 114.28 110.15 2kr5 n THR 73 Ca -0.05 0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.91 2kr5 n THR 73 Cb 0.50 -1.26 0.07 0.00 -2.10 0.00 0.00 70.33 67.53 2kr5 n THR 73 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2kr5 n THR 74 N -2.04 0.00 0.08 4.28 -2.24 -1.26 -2.29 114.28 110.81 2kr5 n THR 74 Ca 0.00 -0.42 -0.21 0.00 -2.27 0.00 0.00 64.05 61.15 2kr5 n THR 74 Cb 0.00 -1.65 -0.15 0.00 -2.10 0.00 0.00 70.33 66.43 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 -1.05 1.07 -0.51 2.28 2.07 -1.56 -3.19 116.25 115.36 2kr5 h VAL 75 Ca -0.15 -2.65 0.06 0.00 0.82 0.00 0.00 66.70 64.78 2kr5 h VAL 75 Cb 0.44 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.98 2kr5 h VAL 75 CO 0.12 0.84 0.34 -0.09 0.02 0.00 0.00 177.57 178.79 2kr5 h ARG 76 N 0.10 0.45 -0.76 1.57 9.65 -1.81 -1.24 114.38 122.34 2kr5 h ARG 76 Ca -0.29 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.56 2kr5 h ARG 76 Cb 2.08 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 30.52 2kr5 h ARG 76 CO 0.19 0.30 0.47 0.00 2.80 0.00 0.00 179.97 183.72 2kr5 h ALA 77 N 1.72 1.38 -0.00 2.80 0.00 -1.85 0.72 119.26 124.02 2kr5 h ALA 77 Ca 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2kr5 h ALA 77 Cb 0.28 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kr5 h ALA 77 CO -0.06 0.54 -0.00 1.25 0.00 0.00 0.00 179.25 180.98 2kr5 h LEU 78 N 1.05 0.01 0.10 0.00 6.46 -1.33 -2.24 115.31 119.35 2kr5 h LEU 78 Ca 0.28 -0.50 0.02 0.00 -0.12 0.00 0.00 57.88 57.56 2kr5 h LEU 78 Cb -0.05 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 39.83 2kr5 h LEU 78 CO -0.05 0.51 -0.36 0.11 -0.62 0.00 0.00 178.44 178.02 2kr5 h LYS 79 N -0.48 -0.56 -0.71 1.25 1.79 -0.82 -1.22 116.57 115.83 2kr5 h LYS 79 Ca 0.00 0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.61 2kr5 h LYS 79 Cb 0.50 0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.23 2kr5 h LYS 79 CO 0.00 -0.37 0.47 0.22 -1.08 0.00 0.00 179.45 178.69 2kr5 h ASP 80 N -0.58 0.53 -0.01 0.86 3.58 0.36 -1.16 116.42 120.00 2kr5 h ASP 80 Ca 0.03 0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.36 2kr5 h ASP 80 Cb 0.62 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2kr5 h ASP 80 CO -0.23 0.32 -0.44 0.15 -2.88 0.00 0.00 179.24 176.16 2kr5 h PHE 81 N 0.59 0.66 -0.43 0.28 3.57 -0.71 0.46 116.94 121.36 2kr5 h PHE 81 Ca 0.33 -0.20 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2kr5 h PHE 81 Cb 0.49 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2kr5 h PHE 81 CO -0.00 0.90 0.13 0.52 -2.23 0.00 0.00 178.31 177.62 2kr5 h MET 82 N 0.45 0.68 0.20 1.11 2.86 -0.06 -1.86 114.93 118.31 2kr5 h MET 82 Ca 0.03 -0.15 -0.33 0.00 -2.06 0.00 0.00 59.70 57.19 2kr5 h MET 82 Cb 0.95 -0.10 0.02 0.00 0.06 0.00 0.00 31.60 32.53 2kr5 h MET 82 CO 0.08 0.67 -1.58 -0.07 1.06 0.00 0.00 176.91 177.07 2kr5 h LEU 83 N 0.56 0.66 -7.26 1.22 4.07 -1.47 -2.73 115.31 110.36 2kr5 h LEU 83 Ca 0.14 -0.93 -0.67 0.00 0.08 0.00 0.00 57.88 56.50 2kr5 h LEU 83 Cb 0.28 -0.22 -0.38 0.00 1.08 0.00 0.00 40.66 41.42 2kr5 h LEU 83 CO -0.00 1.73 -0.29 -0.83 -1.08 0.00 0.00 178.44 177.96 2kr5 s GLY 84 N -4.90 2.97 0.00 0.83 0.00 0.16 -4.25 107.32 102.14 2kr5 s GLY 84 Ca -0.14 -3.78 -0.00 0.00 0.00 0.00 0.00 44.72 40.79 2kr5 s GLY 84 CO 0.87 1.14 2.00 1.44 0.00 0.00 0.00 173.10 178.56 2kr5 n SER 85 N 2.32 5.19 -1.10 1.64 7.64 -0.70 -4.22 113.62 124.39 2kr5 n SER 85 Ca 0.19 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.70 2kr5 n SER 85 Cb 0.36 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 2kr5 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kr5 n GLY 86 N 1.55 -0.19 1.25 0.23 0.00 -1.26 -4.48 105.19 102.29 2kr5 n GLY 86 Ca 0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 2kr5 n GLY 86 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kr5 n ASP 87 N -0.51 3.01 -2.72 1.61 9.92 -1.26 -4.69 116.55 121.90 2kr5 n ASP 87 Ca 0.00 -2.44 -0.06 0.00 -0.53 0.00 0.00 54.79 51.76 2kr5 n ASP 87 Cb 0.15 -0.59 0.01 0.00 -0.64 0.00 0.00 41.12 40.04 2kr5 n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kr5 n ALA 88 N 0.05 -3.09 0.00 2.24 0.00 -1.26 -5.16 120.51 113.29 2kr5 n ALA 88 Ca 0.16 0.99 0.00 0.00 0.00 0.00 0.00 53.44 54.59 2kr5 n ALA 88 Cb 0.77 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 17.14 2kr5 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91