#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 1.43 0.13 0.00 0.00 -1.26 -5.07 119.30 114.54 2kr5 s MET 2 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 55.69 53.97 2kr5 s MET 2 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 34.83 33.91 2kr5 s MET 2 CO 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 175.02 175.01 2kr5 n ALA 3 N -0.49 -2.39 -3.30 3.16 0.00 -1.26 -5.06 120.51 111.17 2kr5 n ALA 3 Ca -0.06 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 2kr5 n ALA 3 Cb 0.63 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 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 -4.00 0.50 0.00 0.00 2.20 -1.26 -5.10 119.74 112.08 2kr5 s LYS 4 Ca 0.00 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 2kr5 s LYS 4 Cb 0.00 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.01 2kr5 s LYS 4 CO 0.00 -1.08 0.00 0.41 -0.36 0.00 0.00 175.35 174.32 2kr5 n GLY 5 N 5.09 4.04 0.12 5.54 0.00 -1.25 -4.40 105.19 114.34 2kr5 n GLY 5 Ca 0.04 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 1.63 -0.51 1.61 0.31 -0.49 -4.83 118.33 116.05 2kr5 n VAL 6 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2kr5 n VAL 6 Cb 0.00 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 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 1.70 -0.28 3.61 2.92 0.00 0.37 -5.01 105.19 108.50 2kr5 n GLY 7 Ca -0.35 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.21 3.36 0.69 1.61 -7.23 -1.25 -5.01 120.40 112.36 2kr5 s VAL 8 Ca 0.00 -1.70 -0.13 0.00 -1.81 0.00 0.00 61.98 58.34 2kr5 s VAL 8 Cb 0.00 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 34.24 2kr5 s VAL 8 CO 0.00 -0.20 1.08 -0.94 -0.31 0.00 0.00 175.10 174.74 2kr5 s SER 9 N -3.12 5.10 0.50 4.85 1.04 -1.26 -4.91 113.70 115.90 2kr5 s SER 9 Ca 0.27 1.81 0.24 0.00 0.48 0.00 0.00 55.95 58.76 2kr5 s SER 9 Cb -0.08 -2.52 1.32 0.00 0.10 0.00 0.00 66.02 64.84 2kr5 s SER 9 CO 0.17 -1.63 2.05 -1.13 0.98 0.00 0.00 173.24 173.67 2kr5 h ASN 10 N -0.46 0.00 -0.73 7.02 -0.00 -1.99 0.50 115.58 119.92 2kr5 h ASN 10 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.85 2kr5 h ASN 10 Cb 1.23 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.51 2kr5 h ASN 10 CO 0.54 0.14 0.46 -0.08 -0.00 0.00 0.00 177.43 178.50 2kr5 h GLU 11 N 0.00 0.97 0.00 6.67 4.81 -2.00 -1.73 114.58 123.31 2kr5 h GLU 11 Ca -0.00 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 2kr5 h GLU 11 Cb 0.34 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2kr5 h GLU 11 CO 0.02 0.67 -0.42 -0.22 -0.73 0.00 0.00 179.01 178.32 2kr5 h LYS 12 N 0.99 0.00 0.00 1.92 1.63 -1.29 -1.53 116.57 118.29 2kr5 h LYS 12 Ca 0.26 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.99 2kr5 h LYS 12 Cb -0.07 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 2kr5 h LYS 12 CO -0.05 0.42 -0.33 1.25 -3.45 0.00 0.00 179.45 177.29 2kr5 h LEU 13 N 0.00 0.00 -0.04 5.20 7.12 -0.72 -1.53 115.31 125.35 2kr5 h LEU 13 Ca -0.00 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.89 2kr5 h LEU 13 Cb 0.87 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.98 2kr5 h LEU 13 CO 0.05 0.33 -0.57 -0.78 -0.13 0.00 0.00 178.44 177.35 2kr5 h ASP 14 N 0.00 0.00 1.26 1.25 3.58 -0.43 -3.24 116.42 118.85 2kr5 h ASP 14 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kr5 h ASP 14 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2kr5 h ASP 14 CO 0.04 0.57 -0.66 0.00 -2.88 0.00 0.00 179.24 176.31 2kr5 h ALA 15 N 1.43 0.66 0.15 -0.78 0.00 -0.97 -3.36 119.26 116.39 2kr5 h ALA 15 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 2kr5 h ALA 15 Cb 1.42 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.23 2kr5 h ALA 15 CO 0.07 0.00 -1.12 -0.24 0.00 0.00 0.00 179.25 177.96 2kr5 h VAL 16 N 0.00 1.31 -0.04 0.00 3.04 -1.33 -3.34 116.25 115.89 2kr5 h VAL 16 Ca 0.00 -2.51 -0.02 0.00 -1.01 0.00 0.00 66.70 63.16 2kr5 h VAL 16 Cb 0.96 3.01 -0.00 0.00 -2.01 0.00 0.00 31.29 33.25 2kr5 h VAL 16 CO 0.00 0.73 -0.06 0.24 -1.01 0.00 0.00 177.57 177.47 2kr5 h MET 17 N -0.27 0.05 -0.17 4.17 2.07 -1.70 0.04 114.93 119.12 2kr5 h MET 17 Ca -0.22 -0.01 -0.12 0.00 -2.07 0.00 0.00 59.70 57.29 2kr5 h MET 17 Cb 1.76 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 31.47 2kr5 h MET 17 CO 0.14 0.11 -0.40 0.07 1.07 0.00 0.00 176.91 177.89 2kr5 h ARG 18 N 0.05 0.39 0.00 1.72 0.11 -1.71 0.35 114.38 115.29 2kr5 h ARG 18 Ca 0.01 -0.19 -0.24 0.00 0.10 0.00 0.00 59.98 59.66 2kr5 h ARG 18 Cb 0.13 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.22 2kr5 h ARG 18 CO 0.01 0.73 -0.98 0.28 0.10 0.00 0.00 179.97 180.11 2kr5 h VAL 19 N 0.32 1.36 -0.64 0.08 2.07 -1.17 -2.06 116.25 116.22 2kr5 h VAL 19 Ca 0.03 -2.39 -0.08 0.00 0.82 0.00 0.00 66.70 65.09 2kr5 h VAL 19 Cb 0.85 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 2kr5 h VAL 19 CO 0.07 0.72 0.10 0.58 0.02 0.00 0.00 177.57 179.06 2kr5 h VAL 20 N 0.28 1.26 0.00 2.57 2.07 -1.01 -2.28 116.25 119.15 2kr5 h VAL 20 Ca -0.10 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 2kr5 h VAL 20 Cb 1.62 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2kr5 h VAL 20 CO 0.18 0.38 -0.37 -1.28 0.02 0.00 0.00 177.57 176.50 2kr5 h SER 21 N 0.98 0.00 0.14 0.57 0.87 -0.85 -1.64 113.55 113.62 2kr5 h SER 21 Ca 0.19 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.51 2kr5 h SER 21 Cb 0.43 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.42 2kr5 h SER 21 CO 0.01 0.37 -1.05 -0.08 -0.53 0.00 0.00 176.83 175.55 2kr5 h GLU 22 N 0.00 0.46 -0.06 2.24 4.81 -1.20 0.44 114.58 121.27 2kr5 h GLU 22 Ca -0.00 -0.69 -0.22 0.00 -0.13 0.00 0.00 59.36 58.31 2kr5 h GLU 22 Cb 1.15 0.24 0.01 0.00 0.63 0.00 0.00 28.75 30.78 2kr5 h GLU 22 CO 0.05 1.31 -0.87 0.93 -0.73 0.00 0.00 179.01 179.70 2kr5 h GLU 23 N -0.04 0.57 -0.16 1.92 4.39 -1.40 -3.29 114.58 116.56 2kr5 h GLU 23 Ca -0.17 -0.53 -0.11 0.00 0.34 0.00 0.00 59.36 58.88 2kr5 h GLU 23 Cb 1.79 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.58 2kr5 h GLU 23 CO 0.20 1.16 -0.33 0.66 -1.16 0.00 0.00 179.01 179.54 2kr5 h SER 24 N 0.36 0.57 0.00 1.42 4.64 -1.38 -3.48 113.55 115.68 2kr5 h SER 24 Ca -0.07 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 2kr5 h SER 24 Cb 1.49 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2kr5 h SER 24 CO 0.16 1.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.75 2kr5 n GLY 25 N 0.43 0.93 3.92 -0.77 0.00 0.08 -5.03 105.19 104.75 2kr5 n GLY 25 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 4.97 0.28 -0.61 1.01 -0.80 -5.00 121.20 119.05 2kr5 s ILE 26 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 2kr5 s ILE 26 Cb 0.00 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.52 2kr5 s ILE 26 CO 0.00 -0.70 1.07 0.00 0.00 0.00 0.00 174.94 175.31 2kr5 s ALA 27 N -2.54 3.38 0.38 9.38 0.00 -1.26 -4.51 121.76 126.58 2kr5 s ALA 27 Ca 0.44 0.84 0.06 0.00 0.00 0.00 0.00 51.96 53.30 2kr5 s ALA 27 Cb -0.10 -3.30 0.77 0.00 0.00 0.00 0.00 23.12 20.49 2kr5 s ALA 27 CO 0.41 -0.10 2.00 1.25 0.00 0.00 0.00 175.76 179.32 2kr5 h LEU 28 N 3.82 0.61 -0.42 0.00 5.85 -1.91 -0.26 115.31 123.00 2kr5 h LEU 28 Ca -0.46 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2kr5 h LEU 28 Cb 1.21 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2kr5 h LEU 28 CO 0.67 0.41 0.00 -0.62 -0.34 0.00 0.00 178.44 178.56 2kr5 n GLU 29 N -4.47 0.21 0.00 1.25 -0.58 -1.26 -2.48 120.64 113.32 2kr5 n GLU 29 Ca 0.08 0.34 0.09 0.00 -0.42 0.00 0.00 57.16 57.24 2kr5 n GLU 29 Cb 0.16 -1.84 -0.03 0.00 -0.57 0.00 0.00 31.44 29.16 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 -2.23 1.50 -2.15 3.49 -0.58 -0.16 -4.86 120.64 115.64 2kr5 n GLU 30 Ca 0.03 -0.61 -0.38 0.00 -0.42 0.00 0.00 57.16 55.78 2kr5 n GLU 30 Cb 0.31 -1.33 -0.03 0.00 -0.57 0.00 0.00 31.44 29.82 2kr5 n GLU 30 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2kr5 s LEU 31 N -2.36 3.26 0.26 -4.62 2.96 -0.85 -4.95 118.68 112.37 2kr5 s LEU 31 Ca 0.12 0.08 0.11 0.00 -0.22 0.00 0.00 54.13 54.23 2kr5 s LEU 31 Cb 0.14 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 2kr5 s LEU 31 CO 0.53 -2.28 -0.14 0.42 -1.32 0.00 0.00 176.35 173.56 2kr5 s THR 32 N 8.40 2.79 0.62 3.68 -4.23 -1.26 -5.01 115.64 120.62 2kr5 s THR 32 Ca 0.60 -2.17 0.30 0.00 -1.18 0.00 0.00 61.69 59.24 2kr5 s THR 32 Cb -0.11 -2.45 0.35 0.00 1.34 0.00 0.00 72.50 71.63 2kr5 s THR 32 CO 0.18 -0.34 1.98 -0.78 -0.54 0.00 0.00 174.62 175.12 2kr5 h ASP 33 N 2.33 0.00 0.82 3.99 3.58 -1.96 -0.16 116.42 125.01 2kr5 h ASP 33 Ca -0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2kr5 h ASP 33 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2kr5 h ASP 33 CO 0.58 0.00 0.00 -0.78 -2.88 0.00 0.00 179.24 176.16 2kr5 h ASP 34 N 0.00 0.00 -4.12 2.28 3.58 -1.96 -3.37 116.42 112.83 2kr5 h ASP 34 Ca 0.10 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 57.06 2kr5 h ASP 34 Cb 0.77 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.89 2kr5 h ASP 34 CO -0.00 0.00 0.40 -0.44 -2.88 0.00 0.00 179.24 176.32 2kr5 s SER 35 N -5.45 5.82 -0.10 2.28 0.01 -0.08 -4.97 113.70 111.22 2kr5 s SER 35 Ca 0.00 2.02 -0.01 0.00 1.31 0.00 0.00 55.95 59.28 2kr5 s SER 35 Cb 0.10 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.79 2kr5 s SER 35 CO 0.50 -1.14 -0.06 0.21 0.41 0.00 0.00 173.24 173.16 2kr5 s ASN 36 N -2.11 2.01 0.22 2.44 3.04 -1.26 -2.64 114.94 116.64 2kr5 s ASN 36 Ca 0.69 -0.25 -0.09 0.00 0.04 0.00 0.00 52.86 53.25 2kr5 s ASN 36 Cb -0.20 -0.74 0.33 0.00 -1.54 0.00 0.00 41.25 39.10 2kr5 s ASN 36 CO 0.29 -0.13 1.70 -0.26 -3.04 0.00 0.00 177.10 175.66 2kr5 h PHE 37 N 8.17 0.24 0.00 0.43 0.04 -1.49 0.26 116.94 124.57 2kr5 h PHE 37 Ca -0.28 0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.41 2kr5 h PHE 37 Cb 1.13 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 2kr5 h PHE 37 CO 0.48 -0.03 -0.60 0.00 -0.60 0.00 0.00 178.31 177.56 2kr5 h ALA 38 N 1.51 0.98 -0.01 2.45 0.00 -1.85 0.58 119.26 122.92 2kr5 h ALA 38 Ca 0.34 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 2kr5 h ALA 38 Cb 0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2kr5 h ALA 38 CO -0.42 0.75 -0.76 0.22 0.00 0.00 0.00 179.25 179.04 2kr5 h ASP 39 N 0.00 0.11 1.32 0.00 3.58 -1.51 -2.99 116.42 116.93 2kr5 h ASP 39 Ca -0.01 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 2kr5 h ASP 39 Cb 1.08 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2kr5 h ASP 39 CO 0.08 0.82 -0.24 0.24 -2.88 0.00 0.00 179.24 177.26 2kr5 h MET 40 N 0.06 0.00 0.00 0.28 2.86 -0.27 -3.47 114.93 114.38 2kr5 h MET 40 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2kr5 h MET 40 Cb 1.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.99 2kr5 h MET 40 CO 0.11 0.24 0.00 0.41 1.06 0.00 0.00 176.91 178.73 2kr5 n GLY 41 N 0.65 1.80 3.59 8.32 0.00 -0.83 -5.03 105.19 113.69 2kr5 n GLY 41 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 3.45 0.83 -0.61 -1.09 0.13 -4.97 121.20 116.95 2kr5 s ILE 42 Ca 0.00 0.43 -0.12 0.00 -2.23 0.00 0.00 60.65 58.73 2kr5 s ILE 42 Cb 0.00 -3.69 0.10 0.00 -1.58 0.00 0.00 42.46 37.29 2kr5 s ILE 42 CO 0.00 -0.49 1.20 -1.81 -1.23 0.00 0.00 174.94 172.61 2kr5 s ASP 43 N 6.55 4.27 0.45 3.58 1.01 -1.26 -4.71 116.67 126.56 2kr5 s ASP 43 Ca 0.78 0.67 0.14 0.00 0.71 0.00 0.00 52.55 54.84 2kr5 s ASP 43 Cb -0.20 -1.09 1.07 0.00 1.01 0.00 0.00 42.92 43.71 2kr5 s ASP 43 CO 0.31 -2.04 2.04 -1.28 0.21 0.00 0.00 175.17 174.41 2kr5 h SER 44 N -1.13 0.29 0.60 0.27 0.87 -1.97 -1.51 113.55 110.96 2kr5 h SER 44 Ca -0.46 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.07 2kr5 h SER 44 Cb 1.31 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2kr5 h SER 44 CO 0.61 0.19 -0.29 0.25 -0.53 0.00 0.00 176.83 177.06 2kr5 h LEU 45 N 0.33 -0.68 -0.70 2.23 7.12 -2.00 -3.10 115.31 118.51 2kr5 h LEU 45 Ca 0.19 -0.03 -0.05 0.00 0.13 0.00 0.00 57.88 58.11 2kr5 h LEU 45 Cb 0.32 0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.60 2kr5 h LEU 45 CO -0.04 -0.36 0.23 0.28 -0.13 0.00 0.00 178.44 178.42 2kr5 h SER 46 N -1.02 1.01 0.10 1.25 0.02 -1.81 -2.24 113.55 110.86 2kr5 h SER 46 Ca -0.08 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 2kr5 h SER 46 Cb 0.67 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 2kr5 h SER 46 CO 0.14 0.94 -0.11 0.77 -1.14 0.00 0.00 176.83 177.43 2kr5 h SER 47 N 1.02 0.02 0.38 3.07 4.64 -1.36 0.18 113.55 121.49 2kr5 h SER 47 Ca 0.23 -0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.25 2kr5 h SER 47 Cb 0.29 -0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2kr5 h SER 47 CO -0.01 0.13 -1.29 -0.03 -0.87 0.00 0.00 176.83 174.76 2kr5 h MET 48 N 0.02 0.45 -0.39 4.77 -1.53 -1.38 -2.84 114.93 114.02 2kr5 h MET 48 Ca 0.00 -0.69 -0.14 0.00 -3.44 0.00 0.00 59.70 55.43 2kr5 h MET 48 Cb 0.21 0.25 -0.01 0.00 -0.55 0.00 0.00 31.60 31.50 2kr5 h MET 48 CO 0.01 1.32 -0.32 0.28 0.14 0.00 0.00 176.91 178.34 2kr5 h VAL 49 N 0.15 1.28 -0.17 -5.77 2.07 -0.63 -0.82 116.25 112.36 2kr5 h VAL 49 Ca -0.18 -1.49 0.05 0.00 0.82 0.00 0.00 66.70 65.90 2kr5 h VAL 49 Cb 1.99 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 33.06 2kr5 h VAL 49 CO 0.23 0.50 -0.28 0.40 0.02 0.00 0.00 177.57 178.44 2kr5 h ILE 50 N 0.71 0.34 0.00 4.57 2.04 -0.83 0.32 117.51 124.67 2kr5 h ILE 50 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 2kr5 h ILE 50 Cb 0.91 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2kr5 h ILE 50 CO 0.08 0.00 -0.11 1.23 0.00 0.00 0.00 178.15 179.36 2kr5 h GLY 51 N -0.33 0.00 0.99 5.37 0.00 -1.56 -1.77 103.07 105.76 2kr5 h GLY 51 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.30 2kr5 h GLY 51 CO -0.36 0.00 -0.40 1.76 0.00 0.00 0.00 176.54 177.55 2kr5 h SER 52 N 0.00 0.76 0.34 0.19 0.02 0.38 -3.07 113.55 112.18 2kr5 h SER 52 Ca -0.00 -0.53 -0.03 0.00 -0.84 0.00 0.00 61.79 60.39 2kr5 h SER 52 Cb 0.26 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2kr5 h SER 52 CO 0.01 1.14 -0.16 0.03 -1.14 0.00 0.00 176.83 176.72 2kr5 h ARG 53 N 0.41 0.00 -0.68 3.45 3.08 0.40 -0.38 114.38 120.66 2kr5 h ARG 53 Ca 0.02 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.13 2kr5 h ARG 53 Cb 0.99 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.98 2kr5 h ARG 53 CO 0.09 0.16 0.37 0.74 -1.07 0.00 0.00 179.97 180.26 2kr5 h PHE 54 N 0.00 0.68 0.00 3.04 0.04 -1.32 0.25 116.94 119.63 2kr5 h PHE 54 Ca -0.00 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.63 2kr5 h PHE 54 Cb 0.37 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 2kr5 h PHE 54 CO 0.00 0.31 -0.77 0.00 -0.60 0.00 0.00 178.31 177.25 2kr5 h ARG 55 N 0.67 0.00 0.10 1.51 3.08 -1.09 0.48 114.38 119.13 2kr5 h ARG 55 Ca 0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 2kr5 h ARG 55 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2kr5 h ARG 55 CO -0.20 0.77 -0.05 0.93 -1.07 0.00 0.00 179.97 180.35 2kr5 h GLU 56 N 0.00 -0.13 0.09 0.04 4.39 -0.72 -3.30 114.58 114.94 2kr5 h GLU 56 Ca -0.01 0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.41 2kr5 h GLU 56 Cb 1.56 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.22 2kr5 h GLU 56 CO 0.10 -0.09 -1.57 0.22 -1.16 0.00 0.00 179.01 176.51 2kr5 h ASP 57 N -0.75 0.29 0.20 1.42 3.58 -1.13 -3.40 116.42 116.63 2kr5 h ASP 57 Ca -0.01 -0.80 -0.35 0.00 0.42 0.00 0.00 57.03 56.29 2kr5 h ASP 57 Cb 0.10 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2kr5 h ASP 57 CO 0.02 1.67 -1.83 -0.07 -2.88 0.00 0.00 179.24 176.15 2kr5 h LEU 58 N -0.36 0.49 0.00 2.28 4.07 -1.56 -3.49 115.31 116.74 2kr5 h LEU 58 Ca -0.36 -0.87 0.00 0.00 0.08 0.00 0.00 57.88 56.74 2kr5 h LEU 58 Cb 1.73 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.31 2kr5 h LEU 58 CO -0.00 1.75 0.00 0.61 -1.08 0.00 0.00 178.44 179.72 2kr5 n GLY 59 N 1.89 1.19 3.61 0.83 0.00 0.13 -5.00 105.19 107.84 2kr5 n GLY 59 Ca -0.27 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 3.82 -0.93 0.99 1.43 0.75 -4.89 118.68 119.86 2kr5 s LEU 60 Ca 0.00 0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 53.66 2kr5 s LEU 60 Cb 0.00 -3.49 0.22 0.00 0.03 0.00 0.00 46.19 42.95 2kr5 s LEU 60 CO 0.00 -1.04 0.93 -0.62 0.23 0.00 0.00 176.35 175.85 2kr5 s ASP 61 N 2.05 6.88 -0.05 2.29 2.15 -1.26 -3.20 116.67 125.53 2kr5 s ASP 61 Ca 0.45 -2.81 -0.03 0.00 0.43 0.00 0.00 52.55 50.59 2kr5 s ASP 61 Cb -0.10 -2.25 -0.01 0.00 -0.30 0.00 0.00 42.92 40.26 2kr5 s ASP 61 CO 0.23 -0.59 -0.05 -0.07 -0.17 0.00 0.00 175.17 174.51 2kr5 h LEU 62 N 8.04 0.00 0.00 -1.34 3.38 -1.93 -3.52 115.31 119.94 2kr5 h LEU 62 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2kr5 h LEU 62 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kr5 h LEU 62 CO 0.89 0.27 0.00 0.61 0.09 0.00 0.00 178.44 180.30 2kr5 n GLY 63 N 1.74 2.38 0.45 0.83 0.00 -1.26 -4.97 105.19 104.36 2kr5 n GLY 63 Ca -0.02 -1.07 0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.04 1.59 0.00 1.61 -0.04 -1.26 -3.73 135.00 132.12 2kr5 n PRO 64 Ca 0.00 -0.89 0.07 0.00 -0.04 0.00 0.00 63.50 62.64 2kr5 n PRO 64 Cb 0.00 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 2kr5 n PRO 64 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kr5 n GLU 65 N 0.13 2.19 -2.92 0.54 1.02 -1.26 -4.98 120.64 115.36 2kr5 n GLU 65 Ca 0.15 -0.33 -0.42 0.00 -0.02 0.00 0.00 57.16 56.54 2kr5 n GLU 65 Cb 0.27 -1.18 -0.04 0.00 -0.02 0.00 0.00 31.44 30.47 2kr5 n GLU 65 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2kr5 s PHE 66 N -2.05 3.33 -0.05 -0.32 5.36 -1.24 -5.02 117.98 117.99 2kr5 s PHE 66 Ca 0.08 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 2kr5 s PHE 66 Cb 0.11 -3.02 0.02 0.00 -0.34 0.00 0.00 43.02 39.80 2kr5 s PHE 66 CO 0.47 -0.35 -0.03 0.45 -1.46 0.00 0.00 175.22 174.30 2kr5 s SER 67 N 1.31 0.98 0.06 6.13 0.15 -1.26 -4.70 113.70 116.36 2kr5 s SER 67 Ca 0.35 -0.10 0.12 0.00 0.70 0.00 0.00 55.95 57.01 2kr5 s SER 67 Cb -0.16 -0.41 0.52 0.00 -1.71 0.00 0.00 66.02 64.27 2kr5 s SER 67 CO 0.08 -0.09 1.37 0.18 1.20 0.00 0.00 173.24 175.99 2kr5 n LEU 68 N 4.27 0.14 0.02 3.45 4.77 -1.07 0.08 117.00 128.66 2kr5 n LEU 68 Ca -0.22 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.43 2kr5 n LEU 68 Cb 0.51 -0.54 0.38 0.00 -2.33 0.00 0.00 43.42 41.44 2kr5 n LEU 68 CO 0.21 -0.43 0.66 0.33 -1.33 0.00 0.00 177.39 176.83 2kr5 n PHE 69 N -1.66 0.19 0.00 -1.77 7.35 -1.26 -3.35 117.46 116.96 2kr5 n PHE 69 Ca 0.02 0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 2kr5 n PHE 69 Cb 0.11 -0.48 0.00 0.00 0.35 0.00 0.00 39.48 39.46 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 -1.68 0.00 0.32 -2.13 5.41 -0.39 -4.81 119.36 116.08 2kr5 n ILE 70 Ca 0.06 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.91 2kr5 n ILE 70 Cb 0.36 -0.32 0.26 0.00 -0.71 0.00 0.00 39.64 39.24 2kr5 n ILE 70 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2kr5 n ASP 71 N -2.11 3.01 -3.50 4.38 8.00 0.11 -4.91 116.55 121.53 2kr5 n ASP 71 Ca 0.00 -1.96 -0.12 0.00 0.71 0.00 0.00 54.79 53.42 2kr5 n ASP 71 Cb 0.31 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 2kr5 n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kr5 n THR 73 N -0.26 0.00 -1.34 0.00 -2.24 -1.26 -4.43 114.28 104.75 2kr5 n THR 73 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2kr5 n THR 73 Cb 0.64 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.26 0.00 0.05 4.28 -2.24 -1.26 -1.39 114.28 112.46 2kr5 n THR 74 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 2kr5 n THR 74 Cb 0.00 -1.82 -0.12 0.00 -2.10 0.00 0.00 70.33 66.29 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 -0.79 1.35 -0.36 2.28 2.07 -1.67 -3.19 116.25 115.94 2kr5 h VAL 75 Ca 0.00 -2.30 0.01 0.00 0.82 0.00 0.00 66.70 65.22 2kr5 h VAL 75 Cb 0.00 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 2kr5 h VAL 75 CO 0.00 0.69 0.24 -0.09 0.02 0.00 0.00 177.57 178.43 2kr5 h ARG 76 N 0.11 0.45 -0.72 1.57 2.43 -1.87 -0.25 114.38 116.10 2kr5 h ARG 76 Ca -0.14 -0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.22 2kr5 h ARG 76 Cb 1.65 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 31.07 2kr5 h ARG 76 CO 0.19 0.30 0.52 0.00 -1.51 0.00 0.00 179.97 179.47 2kr5 h ALA 77 N 1.78 2.68 0.00 2.80 0.00 -1.92 0.41 119.26 125.00 2kr5 h ALA 77 Ca 0.13 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2kr5 h ALA 77 Cb -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kr5 h ALA 77 CO -0.03 -0.89 -0.64 1.25 0.00 0.00 0.00 179.25 178.94 2kr5 h LEU 78 N 0.00 0.00 -0.07 0.00 6.46 -1.19 -3.28 115.31 117.23 2kr5 h LEU 78 Ca 0.34 -0.64 0.03 0.00 -0.12 0.00 0.00 57.88 57.49 2kr5 h LEU 78 Cb 1.39 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.26 2kr5 h LEU 78 CO -0.00 1.19 -0.51 0.11 -0.62 0.00 0.00 178.44 178.60 2kr5 h LYS 79 N -1.00 -0.59 0.00 1.25 1.79 -0.19 -1.52 116.57 116.32 2kr5 h LYS 79 Ca -0.17 0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.28 2kr5 h LYS 79 Cb 1.05 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.83 2kr5 h LYS 79 CO -0.10 -0.39 -0.29 0.22 -1.08 0.00 0.00 179.45 177.81 2kr5 h ASP 80 N -0.61 0.00 -0.13 0.86 3.58 -0.45 -2.42 116.42 117.25 2kr5 h ASP 80 Ca 0.03 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.34 2kr5 h ASP 80 Cb 0.69 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 2kr5 h ASP 80 CO -0.39 0.29 -0.43 0.15 -2.88 0.00 0.00 179.24 175.98 2kr5 h PHE 81 N 0.00 0.81 -0.56 0.28 3.57 -1.44 0.55 116.94 120.14 2kr5 h PHE 81 Ca -0.00 -0.25 0.04 0.00 3.53 0.00 0.00 57.97 61.29 2kr5 h PHE 81 Cb 0.55 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2kr5 h PHE 81 CO 0.00 0.98 0.31 0.52 -2.23 0.00 0.00 178.31 177.89 2kr5 h MET 82 N 0.54 0.59 0.20 1.11 2.86 -0.78 -2.90 114.93 116.55 2kr5 h MET 82 Ca 0.04 -0.04 -0.28 0.00 -2.06 0.00 0.00 59.70 57.37 2kr5 h MET 82 Cb 0.96 -0.13 0.03 0.00 0.06 0.00 0.00 31.60 32.52 2kr5 h MET 82 CO 0.09 0.39 -1.25 -0.07 1.06 0.00 0.00 176.91 177.13 2kr5 h LEU 83 N 0.60 0.68 0.00 1.22 4.07 -1.53 0.14 115.31 120.49 2kr5 h LEU 83 Ca 0.24 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 57.27 2kr5 h LEU 83 Cb 0.10 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.62 2kr5 h LEU 83 CO -0.14 1.60 0.00 0.61 -1.08 0.00 0.00 178.44 179.43 2kr5 n GLY 84 N 1.71 1.62 0.82 0.83 0.00 0.19 -3.84 105.19 106.53 2kr5 n GLY 84 Ca -0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 2kr5 n GLY 84 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kr5 n SER 85 N 0.00 -0.33 0.00 1.61 2.88 -1.25 -4.36 113.62 112.18 2kr5 n SER 85 Ca 0.00 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 2kr5 n SER 85 Cb 0.00 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 -0.07 3.31 2.74 0.46 0.00 -1.26 -5.13 105.19 105.24 2kr5 n GLY 86 Ca -0.08 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.28 2kr5 n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kr5 s ASP 87 N 0.00 0.56 -0.38 1.61 2.15 -1.26 -4.98 116.67 114.37 2kr5 s ASP 87 Ca 0.00 0.10 -0.18 0.00 0.43 0.00 0.00 52.55 52.90 2kr5 s ASP 87 Cb 0.00 -0.05 0.02 0.00 -0.30 0.00 0.00 42.92 42.59 2kr5 s ASP 87 CO 0.00 -0.19 0.47 0.00 -0.17 0.00 0.00 175.17 175.28 2kr5 n ALA 88 N 4.75 -2.84 -1.54 3.66 0.00 -1.26 -5.25 120.51 118.03 2kr5 n ALA 88 Ca -0.16 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2kr5 n ALA 88 Cb 0.50 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.27 2kr5 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91