#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 -2.10 -1.03 0.00 2.81 -1.26 -4.84 117.12 110.70 2kr5 n MET 2 Ca 0.00 1.93 0.00 0.00 -1.81 0.00 0.00 57.70 57.82 2kr5 n MET 2 Cb 0.00 -5.11 0.00 0.00 -0.71 0.00 0.00 33.22 27.40 2kr5 n MET 2 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kr5 n ALA 3 N -0.29 -2.61 -1.24 3.04 0.00 -1.26 -5.04 120.51 113.11 2kr5 n ALA 3 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2kr5 n ALA 3 Cb 0.38 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2kr5 n ALA 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kr5 n LYS 4 N 0.52 -3.22 0.00 0.00 4.81 -1.26 -5.09 118.16 113.92 2kr5 n LYS 4 Ca 0.00 2.39 0.00 0.00 -0.87 0.00 0.00 58.31 59.83 2kr5 n LYS 4 Cb 0.00 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 32.53 2kr5 n LYS 4 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kr5 n GLY 5 N 0.51 0.74 0.47 3.14 0.00 -1.26 -0.14 105.19 108.65 2kr5 n GLY 5 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.00 1.61 0.31 -1.25 -4.32 118.33 114.68 2kr5 n VAL 6 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2kr5 n VAL 6 Cb 0.00 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 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 3.39 1.33 3.47 2.92 0.00 0.32 -4.97 105.19 111.65 2kr5 n GLY 7 Ca 0.00 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 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 2.53 0.79 1.61 -7.23 -1.24 -4.94 120.40 111.92 2kr5 s VAL 8 Ca 0.00 -2.25 -0.09 0.00 -1.81 0.00 0.00 61.98 57.83 2kr5 s VAL 8 Cb 0.00 -2.30 0.11 0.00 0.56 0.00 0.00 36.38 34.75 2kr5 s VAL 8 CO 0.00 -0.31 1.12 -0.94 -0.31 0.00 0.00 175.10 174.66 2kr5 s SER 9 N -3.27 4.28 0.37 4.85 1.04 -1.26 -4.86 113.70 114.85 2kr5 s SER 9 Ca 0.27 0.38 0.28 0.00 0.48 0.00 0.00 55.95 57.36 2kr5 s SER 9 Cb -0.06 -0.82 1.13 0.00 0.10 0.00 0.00 66.02 66.37 2kr5 s SER 9 CO 0.14 -1.97 1.82 -0.55 0.98 0.00 0.00 173.24 173.66 2kr5 h ASN 10 N -0.94 0.00 -0.14 7.02 -1.07 -2.01 -0.41 115.58 118.03 2kr5 h ASN 10 Ca -0.44 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 55.91 2kr5 h ASN 10 Cb 1.29 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.54 2kr5 h ASN 10 CO 0.54 0.00 -0.00 -0.08 0.07 0.00 0.00 177.43 177.96 2kr5 h GLU 11 N 0.00 0.25 0.00 4.14 4.81 -1.99 0.36 114.58 122.16 2kr5 h GLU 11 Ca 0.00 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 2kr5 h GLU 11 Cb 0.43 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2kr5 h GLU 11 CO 0.00 0.49 -0.34 0.87 -0.73 0.00 0.00 179.01 179.30 2kr5 h LYS 12 N -0.01 0.00 0.00 1.92 1.57 -1.71 -1.50 116.57 116.83 2kr5 h LYS 12 Ca 0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2kr5 h LYS 12 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2kr5 h LYS 12 CO 0.01 0.34 -0.23 1.25 -0.57 0.00 0.00 179.45 180.24 2kr5 h LEU 13 N 0.00 0.00 0.06 2.94 5.85 -0.80 -2.35 115.31 121.01 2kr5 h LEU 13 Ca -0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 2kr5 h LEU 13 Cb 0.71 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2kr5 h LEU 13 CO 0.04 0.23 -1.34 -0.78 -0.34 0.00 0.00 178.44 176.25 2kr5 h ASP 14 N 0.00 0.20 1.02 1.25 3.58 0.03 -3.35 116.42 119.16 2kr5 h ASP 14 Ca -0.00 -0.26 -0.12 0.00 0.42 0.00 0.00 57.03 57.07 2kr5 h ASP 14 Cb 0.66 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2kr5 h ASP 14 CO 0.03 1.21 -0.59 0.00 -2.88 0.00 0.00 179.24 177.01 2kr5 h ALA 15 N 0.76 0.76 -0.31 -0.78 0.00 -1.09 -3.16 119.26 115.44 2kr5 h ALA 15 Ca -0.16 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.05 2kr5 h ALA 15 Cb 1.93 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 2kr5 h ALA 15 CO 0.14 0.74 -0.44 -0.24 0.00 0.00 0.00 179.25 179.44 2kr5 h VAL 16 N 0.00 1.28 -0.10 0.00 3.04 -1.56 -3.24 116.25 115.66 2kr5 h VAL 16 Ca -0.01 -1.63 -0.02 0.00 -1.01 0.00 0.00 66.70 64.04 2kr5 h VAL 16 Cb 1.26 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 32.10 2kr5 h VAL 16 CO 0.08 0.53 -0.01 0.24 -1.01 0.00 0.00 177.57 177.40 2kr5 h MET 17 N 0.63 0.15 0.00 4.17 2.07 -1.67 0.13 114.93 120.40 2kr5 h MET 17 Ca 0.03 -0.02 -0.15 0.00 -2.07 0.00 0.00 59.70 57.49 2kr5 h MET 17 Cb 1.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.72 2kr5 h MET 17 CO 0.10 0.17 -0.73 0.07 1.07 0.00 0.00 176.91 177.60 2kr5 h ARG 18 N 0.15 0.00 -0.11 1.72 0.11 -1.66 0.11 114.38 114.70 2kr5 h ARG 18 Ca 0.04 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.91 2kr5 h ARG 18 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 2kr5 h ARG 18 CO 0.00 0.73 -0.78 0.28 0.10 0.00 0.00 179.97 180.30 2kr5 h VAL 19 N 0.00 1.33 -0.40 0.08 2.07 -1.20 -2.77 116.25 115.35 2kr5 h VAL 19 Ca -0.01 -2.08 -0.05 0.00 0.82 0.00 0.00 66.70 65.38 2kr5 h VAL 19 Cb 1.49 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 2kr5 h VAL 19 CO 0.09 0.64 0.07 0.58 0.02 0.00 0.00 177.57 178.98 2kr5 h VAL 20 N 0.41 1.24 -0.16 2.57 2.07 -0.93 -2.79 116.25 118.66 2kr5 h VAL 20 Ca -0.05 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.64 2kr5 h VAL 20 Cb 1.39 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 2kr5 h VAL 20 CO 0.15 0.30 -0.07 0.77 0.02 0.00 0.00 177.57 178.73 2kr5 h SER 21 N 0.52 -0.24 0.08 0.57 4.64 -0.71 0.37 113.55 118.77 2kr5 h SER 21 Ca 0.12 0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.53 2kr5 h SER 21 Cb 0.37 0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 2kr5 h SER 21 CO 0.01 -0.10 -0.24 -0.33 -0.87 0.00 0.00 176.83 175.30 2kr5 h GLU 22 N -0.05 -0.40 0.00 4.77 5.08 -1.48 -0.21 114.58 122.29 2kr5 h GLU 22 Ca 0.09 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2kr5 h GLU 22 Cb 0.18 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2kr5 h GLU 22 CO -0.20 -0.27 -0.22 0.93 -1.00 0.00 0.00 179.01 178.26 2kr5 h GLU 23 N -0.41 0.00 0.07 2.33 4.39 -1.25 -3.26 114.58 116.46 2kr5 h GLU 23 Ca 0.04 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.39 2kr5 h GLU 23 Cb 0.46 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 2kr5 h GLU 23 CO -0.16 0.00 -1.98 -1.13 -1.16 0.00 0.00 179.01 174.58 2kr5 n SER 24 N -2.46 1.63 0.00 1.42 3.41 0.10 -4.91 113.62 112.80 2kr5 n SER 24 Ca 0.04 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2kr5 n SER 24 Cb 0.47 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2kr5 n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kr5 n GLY 25 N 1.88 0.50 3.66 5.00 0.00 -0.10 -5.01 105.19 111.12 2kr5 n GLY 25 Ca -0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.01 5.17 0.39 -0.61 1.01 -1.17 -5.03 121.20 118.95 2kr5 s ILE 26 Ca 0.00 0.75 -0.26 0.00 0.00 0.00 0.00 60.65 61.13 2kr5 s ILE 26 Cb 0.00 -3.75 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 2kr5 s ILE 26 CO 0.00 0.21 1.24 0.00 0.00 0.00 0.00 174.94 176.39 2kr5 n ALA 27 N 4.72 1.10 -0.17 9.38 0.00 -1.26 -4.39 120.51 129.90 2kr5 n ALA 27 Ca -0.07 0.30 0.16 0.00 0.00 0.00 0.00 53.44 53.82 2kr5 n ALA 27 Cb 0.51 -2.23 0.51 0.00 0.00 0.00 0.00 19.45 18.24 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 2.17 0.38 -0.03 0.00 5.85 -1.92 0.15 115.31 121.92 2kr5 h LEU 28 Ca -0.47 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2kr5 h LEU 28 Cb 1.30 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2kr5 h LEU 28 CO 0.60 0.19 0.00 -0.62 -0.34 0.00 0.00 178.44 178.28 2kr5 n GLU 29 N -4.48 0.02 0.00 1.25 -0.58 -1.26 -2.30 120.64 113.29 2kr5 n GLU 29 Ca 0.15 0.13 0.06 0.00 -0.42 0.00 0.00 57.16 57.08 2kr5 n GLU 29 Cb 0.55 -1.53 0.01 0.00 -0.57 0.00 0.00 31.44 29.90 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 -1.57 1.76 -2.27 3.49 -0.58 0.48 -4.92 120.64 117.04 2kr5 n GLU 30 Ca 0.05 -0.75 -0.39 0.00 -0.42 0.00 0.00 57.16 55.65 2kr5 n GLU 30 Cb 0.27 -1.14 -0.03 0.00 -0.57 0.00 0.00 31.44 29.97 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 -1.58 3.24 0.32 -4.62 2.96 -0.83 -4.90 118.68 113.26 2kr5 s LEU 31 Ca 0.10 -0.08 0.09 0.00 -0.22 0.00 0.00 54.13 54.02 2kr5 s LEU 31 Cb 0.09 -2.54 -0.06 0.00 0.50 0.00 0.00 46.19 44.18 2kr5 s LEU 31 CO 0.26 -2.15 -0.09 0.42 -1.32 0.00 0.00 176.35 173.47 2kr5 s THR 32 N 7.62 2.08 -1.01 3.68 -4.23 -1.26 -5.01 115.64 117.50 2kr5 s THR 32 Ca 0.53 -2.20 0.09 0.00 -1.18 0.00 0.00 61.69 58.93 2kr5 s THR 32 Cb -0.10 -2.56 0.07 0.00 1.34 0.00 0.00 72.50 71.25 2kr5 s THR 32 CO 0.17 -0.25 1.27 -0.90 -0.54 0.00 0.00 174.62 174.37 2kr5 n ASP 33 N -0.72 0.00 0.24 3.99 5.75 -1.26 -0.94 116.55 123.62 2kr5 n ASP 33 Ca -0.05 0.49 0.15 0.00 -0.01 0.00 0.00 54.79 55.36 2kr5 n ASP 33 Cb 0.63 -0.49 0.44 0.00 -1.03 0.00 0.00 41.12 40.67 2kr5 n ASP 33 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2kr5 h ASP 34 N 0.00 0.00 -3.91 -1.12 5.19 -1.95 -3.40 116.42 111.23 2kr5 h ASP 34 Ca 0.00 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 2kr5 h ASP 34 Cb 0.15 0.00 0.04 0.00 0.18 0.00 0.00 39.33 39.70 2kr5 h ASP 34 CO 0.00 0.00 0.50 -0.44 -3.12 0.00 0.00 179.24 176.18 2kr5 s SER 35 N -5.82 6.73 -0.14 6.45 0.01 -0.11 -5.00 113.70 115.80 2kr5 s SER 35 Ca 0.04 2.33 -0.00 0.00 1.31 0.00 0.00 55.95 59.63 2kr5 s SER 35 Cb 0.07 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.72 2kr5 s SER 35 CO 0.60 -0.53 -0.08 0.21 0.41 0.00 0.00 173.24 173.85 2kr5 s ASN 36 N -1.07 2.56 0.29 2.44 3.04 -1.26 -3.03 114.94 117.90 2kr5 s ASN 36 Ca 0.54 -0.50 0.01 0.00 0.04 0.00 0.00 52.86 52.95 2kr5 s ASN 36 Cb -0.31 -0.93 0.54 0.00 -1.54 0.00 0.00 41.25 39.01 2kr5 s ASN 36 CO 0.39 -0.14 1.85 -0.26 -3.04 0.00 0.00 177.10 175.91 2kr5 h PHE 37 N 8.13 1.13 0.00 0.43 0.04 -1.45 0.17 116.94 125.39 2kr5 h PHE 37 Ca -0.29 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.37 2kr5 h PHE 37 Cb 1.12 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 2kr5 h PHE 37 CO 0.47 0.49 -0.70 0.00 -0.60 0.00 0.00 178.31 177.96 2kr5 h ALA 38 N 1.52 0.76 -0.01 2.45 0.00 -1.87 -0.76 119.26 121.36 2kr5 h ALA 38 Ca 0.47 -0.64 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2kr5 h ALA 38 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2kr5 h ALA 38 CO -0.23 0.88 -0.76 0.22 0.00 0.00 0.00 179.25 179.36 2kr5 h ASP 39 N 0.00 0.11 1.39 0.00 3.58 -1.35 -2.94 116.42 117.21 2kr5 h ASP 39 Ca -0.01 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2kr5 h ASP 39 Cb 1.30 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2kr5 h ASP 39 CO 0.09 0.83 -0.08 0.23 -2.88 0.00 0.00 179.24 177.43 2kr5 n MET 40 N -3.69 0.26 -1.57 0.28 2.81 0.39 -4.93 117.12 110.67 2kr5 n MET 40 Ca -0.02 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2kr5 n MET 40 Cb 0.73 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 2kr5 n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kr5 n GLY 41 N 1.32 0.83 3.59 3.03 0.00 -1.02 -5.00 105.19 107.93 2kr5 n GLY 41 Ca 0.05 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.57 3.83 0.90 -0.61 -1.09 -0.32 -5.00 121.20 116.35 2kr5 s ILE 42 Ca 0.00 0.78 -0.14 0.00 -2.23 0.00 0.00 60.65 59.05 2kr5 s ILE 42 Cb 0.00 -4.32 0.16 0.00 -1.58 0.00 0.00 42.46 36.72 2kr5 s ILE 42 CO 0.00 -0.97 1.27 -1.81 -1.23 0.00 0.00 174.94 172.20 2kr5 s ASP 43 N 4.30 3.62 0.25 3.58 1.01 -1.26 -4.74 116.67 123.43 2kr5 s ASP 43 Ca 0.57 0.44 -0.02 0.00 0.71 0.00 0.00 52.55 54.24 2kr5 s ASP 43 Cb -0.12 -0.64 0.48 0.00 1.01 0.00 0.00 42.92 43.65 2kr5 s ASP 43 CO 0.29 -2.43 1.77 -1.28 0.21 0.00 0.00 175.17 173.72 2kr5 h SER 44 N -1.42 0.52 0.71 0.27 0.87 -1.98 -0.14 113.55 112.38 2kr5 h SER 44 Ca -0.45 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 2kr5 h SER 44 Cb 1.27 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2kr5 h SER 44 CO 0.48 0.24 -0.42 0.25 -0.53 0.00 0.00 176.83 176.85 2kr5 h LEU 45 N 0.63 -1.04 -0.27 2.23 7.12 -1.99 -2.04 115.31 119.94 2kr5 h LEU 45 Ca 0.44 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.50 2kr5 h LEU 45 Cb 0.57 0.30 -0.01 0.00 -0.53 0.00 0.00 40.66 40.99 2kr5 h LEU 45 CO -0.34 -0.65 0.16 -1.28 -0.13 0.00 0.00 178.44 176.20 2kr5 h SER 46 N -1.05 0.33 0.15 1.25 0.87 -1.85 -1.02 113.55 112.23 2kr5 h SER 46 Ca -0.10 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 2kr5 h SER 46 Cb 0.83 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2kr5 h SER 46 CO 0.11 0.30 -0.09 0.77 -0.53 0.00 0.00 176.83 177.39 2kr5 h SER 47 N 0.34 0.00 0.26 6.23 4.64 -1.05 -0.23 113.55 123.74 2kr5 h SER 47 Ca 0.10 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.08 2kr5 h SER 47 Cb 0.04 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.16 2kr5 h SER 47 CO -0.02 0.09 -1.50 -0.03 -0.87 0.00 0.00 176.83 174.50 2kr5 h MET 48 N 0.00 0.53 -0.65 4.77 -1.53 -0.89 -3.17 114.93 113.99 2kr5 h MET 48 Ca -0.00 -0.91 -0.03 0.00 -3.44 0.00 0.00 59.70 55.31 2kr5 h MET 48 Cb 0.19 0.34 -0.03 0.00 -0.55 0.00 0.00 31.60 31.55 2kr5 h MET 48 CO 0.01 1.44 0.28 0.28 0.14 0.00 0.00 176.91 179.06 2kr5 h VAL 49 N 0.15 1.23 0.54 -5.77 2.07 -0.11 -0.32 116.25 114.03 2kr5 h VAL 49 Ca -0.26 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 2kr5 h VAL 49 Cb 2.17 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2kr5 h VAL 49 CO 0.27 0.28 -0.42 0.40 0.02 0.00 0.00 177.57 178.12 2kr5 h ILE 50 N 0.90 0.15 0.00 4.57 2.04 -1.20 0.11 117.51 124.08 2kr5 h ILE 50 Ca 0.22 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 2kr5 h ILE 50 Cb 0.17 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2kr5 h ILE 50 CO -0.02 0.00 -0.10 1.23 0.00 0.00 0.00 178.15 179.26 2kr5 h GLY 51 N -0.94 0.00 0.78 5.37 0.00 -1.56 -1.60 103.07 105.13 2kr5 h GLY 51 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 2kr5 h GLY 51 CO 0.00 0.00 -0.16 0.23 0.00 0.00 0.00 176.54 176.61 2kr5 h SER 52 N 0.00 0.44 -0.13 0.19 0.87 -0.52 -3.03 113.55 111.36 2kr5 h SER 52 Ca -0.00 -0.47 -0.01 0.00 -1.23 0.00 0.00 61.79 60.07 2kr5 h SER 52 Cb 0.34 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2kr5 h SER 52 CO 0.01 0.82 0.05 0.03 -0.53 0.00 0.00 176.83 177.21 2kr5 h ARG 53 N 0.06 0.25 -0.97 2.24 3.08 -0.02 -0.15 114.38 118.88 2kr5 h ARG 53 Ca 0.03 -0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.19 2kr5 h ARG 53 Cb 0.69 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.60 2kr5 h ARG 53 CO 0.04 0.23 0.59 0.74 -1.07 0.00 0.00 179.97 180.50 2kr5 h PHE 54 N 0.26 1.06 0.19 3.04 0.04 -1.20 0.32 116.94 120.65 2kr5 h PHE 54 Ca 0.07 0.03 -0.31 0.00 2.80 0.00 0.00 57.97 60.55 2kr5 h PHE 54 Cb 0.09 -0.33 0.02 0.00 2.20 0.00 0.00 35.95 37.93 2kr5 h PHE 54 CO 0.00 0.36 -1.44 0.00 -0.60 0.00 0.00 178.31 176.64 2kr5 h ARG 55 N 0.88 0.40 0.00 1.51 3.08 -1.02 0.62 114.38 119.86 2kr5 h ARG 55 Ca 0.50 -0.69 -0.14 0.00 0.07 0.00 0.00 59.98 59.72 2kr5 h ARG 55 Cb 0.58 0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 2kr5 h ARG 55 CO -0.30 1.32 -0.86 0.93 -1.07 0.00 0.00 179.97 179.99 2kr5 h GLU 56 N 0.11 0.00 0.20 0.04 5.08 -1.00 -2.94 114.58 116.07 2kr5 h GLU 56 Ca -0.22 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.87 2kr5 h GLU 56 Cb 2.08 0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.36 2kr5 h GLU 56 CO 0.23 0.76 -1.18 -0.44 -1.00 0.00 0.00 179.01 177.37 2kr5 h ASP 57 N -1.00 0.65 0.15 1.42 3.32 -0.57 -3.37 116.42 117.02 2kr5 h ASP 57 Ca -0.21 -0.93 -0.35 0.00 0.02 0.00 0.00 57.03 55.55 2kr5 h ASP 57 Cb 1.04 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.31 2kr5 h ASP 57 CO -0.13 1.57 -2.17 0.18 -1.72 0.00 0.00 179.24 176.97 2kr5 n LEU 58 N -3.91 1.10 -0.15 1.55 4.32 -1.02 -5.01 117.00 113.87 2kr5 n LEU 58 Ca -0.16 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 2kr5 n LEU 58 Cb 0.97 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.73 2kr5 n LEU 58 CO 0.54 0.59 0.00 0.61 -1.22 0.00 0.00 177.39 177.91 2kr5 n GLY 59 N 1.82 1.01 3.73 -0.72 0.00 0.88 -4.98 105.19 106.92 2kr5 n GLY 59 Ca -0.31 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.30 4.34 -0.37 0.99 1.43 0.18 -4.92 118.68 120.03 2kr5 s LEU 60 Ca 0.00 1.19 -0.03 0.00 -1.03 0.00 0.00 54.13 54.25 2kr5 s LEU 60 Cb 0.00 -3.05 0.07 0.00 0.03 0.00 0.00 46.19 43.25 2kr5 s LEU 60 CO 0.00 -0.06 2.63 0.47 0.23 0.00 0.00 176.35 179.62 2kr5 n ASP 61 N 3.52 6.35 0.38 2.29 8.00 -1.26 -3.95 116.55 131.89 2kr5 n ASP 61 Ca -0.03 -3.10 -0.16 0.00 0.71 0.00 0.00 54.79 52.21 2kr5 n ASP 61 Cb 0.51 -1.20 -0.08 0.00 -0.02 0.00 0.00 41.12 40.33 2kr5 n ASP 61 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2kr5 h LEU 62 N 3.62 -0.84 0.00 0.64 7.12 -1.93 -3.49 115.31 120.43 2kr5 h LEU 62 Ca 0.34 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.37 2kr5 h LEU 62 Cb 0.85 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 41.19 2kr5 h LEU 62 CO 0.78 -0.49 0.00 0.61 -0.13 0.00 0.00 178.44 179.21 2kr5 n GLY 63 N -0.93 1.09 0.16 3.75 0.00 -1.26 -4.96 105.19 103.04 2kr5 n GLY 63 Ca -0.13 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 2kr5 n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kr5 h PRO 64 N 0.00 0.48 -0.94 1.61 0.13 -1.97 -3.37 132.00 127.93 2kr5 h PRO 64 Ca 0.00 -0.57 -0.44 0.00 -0.87 0.00 0.00 66.00 64.12 2kr5 h PRO 64 Cb 0.00 0.18 -0.41 0.00 0.13 0.00 0.00 31.00 30.89 2kr5 h PRO 64 CO 0.00 1.21 -0.97 0.39 -0.23 0.00 0.00 178.00 178.40 2kr5 n GLU 65 N -3.74 2.45 -2.33 0.86 1.02 -1.26 -4.98 120.64 112.67 2kr5 n GLU 65 Ca -0.09 -3.85 -0.43 0.00 -0.02 0.00 0.00 57.16 52.77 2kr5 n GLU 65 Cb 0.90 -1.83 -0.02 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 -3.50 2.43 -0.12 -0.32 5.36 -1.26 -4.99 117.98 115.58 2kr5 s PHE 66 Ca 0.38 0.72 0.03 0.00 -0.96 0.00 0.00 56.93 57.10 2kr5 s PHE 66 Cb 0.40 -4.11 -0.00 0.00 -0.34 0.00 0.00 43.02 38.97 2kr5 s PHE 66 CO -0.04 -2.07 -0.20 -1.54 -1.46 0.00 0.00 175.22 169.91 2kr5 s SER 67 N 3.67 3.36 0.00 6.13 1.04 -1.26 -4.35 113.70 122.28 2kr5 s SER 67 Ca 0.62 -0.50 0.18 0.00 0.48 0.00 0.00 55.95 56.73 2kr5 s SER 67 Cb -0.17 -1.47 1.09 0.00 0.10 0.00 0.00 66.02 65.57 2kr5 s SER 67 CO 0.29 0.15 1.58 0.18 0.98 0.00 0.00 173.24 176.41 2kr5 n LEU 68 N 3.63 0.00 0.05 2.42 4.77 -1.20 -1.04 117.00 125.63 2kr5 n LEU 68 Ca -0.19 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.90 2kr5 n LEU 68 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2kr5 n LEU 68 CO 0.29 0.00 -0.14 0.33 -1.33 0.00 0.00 177.39 176.53 2kr5 n PHE 69 N -0.85 0.48 0.00 -1.77 7.35 -1.26 -4.15 117.46 117.25 2kr5 n PHE 69 Ca 0.14 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 2kr5 n PHE 69 Cb 0.06 -0.65 0.00 0.00 0.35 0.00 0.00 39.48 39.25 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 -2.29 0.00 1.15 -2.13 5.41 -1.11 -4.83 119.36 115.56 2kr5 n ILE 70 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 2kr5 n ILE 70 Cb 0.51 -0.24 0.21 0.00 -0.71 0.00 0.00 39.64 39.40 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 -1.68 1.93 -3.84 4.38 2.03 -0.20 -4.88 116.55 114.29 2kr5 n ASP 71 Ca 0.00 -1.48 -0.10 0.00 0.52 0.00 0.00 54.79 53.73 2kr5 n ASP 71 Cb 0.19 0.19 -0.08 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.25 0.00 -2.10 0.00 -2.24 -1.26 -4.28 114.28 104.64 2kr5 n THR 73 Ca -0.17 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2kr5 n THR 73 Cb 0.61 -0.42 0.02 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.99 0.00 0.05 4.28 -2.24 -1.26 -1.22 114.28 111.90 2kr5 n THR 74 Ca 0.00 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 2kr5 n THR 74 Cb 0.00 -1.41 -0.14 0.00 -2.10 0.00 0.00 70.33 66.68 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 -0.54 1.50 -0.33 2.28 2.07 -1.75 -3.23 116.25 116.25 2kr5 h VAL 75 Ca -0.06 -2.49 0.03 0.00 0.82 0.00 0.00 66.70 65.00 2kr5 h VAL 75 Cb 0.20 3.13 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 2kr5 h VAL 75 CO 0.06 0.71 0.22 -0.09 0.02 0.00 0.00 177.57 178.49 2kr5 h ARG 76 N -0.32 0.34 -0.82 1.57 2.43 -1.88 -1.28 114.38 114.42 2kr5 h ARG 76 Ca -0.14 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2kr5 h ARG 76 Cb 1.62 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 31.04 2kr5 h ARG 76 CO 0.15 0.23 0.53 0.00 -1.51 0.00 0.00 179.97 179.37 2kr5 h ALA 77 N 1.81 1.68 -0.07 2.80 0.00 -1.94 0.13 119.26 123.66 2kr5 h ALA 77 Ca 0.13 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 2kr5 h ALA 77 Cb 0.10 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2kr5 h ALA 77 CO -0.03 0.17 -0.59 1.25 0.00 0.00 0.00 179.25 180.05 2kr5 h LEU 78 N 0.82 0.64 0.35 0.00 6.46 -1.33 -2.35 115.31 119.90 2kr5 h LEU 78 Ca 0.37 -0.68 -0.01 0.00 -0.12 0.00 0.00 57.88 57.44 2kr5 h LEU 78 Cb 0.35 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 2kr5 h LEU 78 CO -0.14 1.23 -0.45 0.11 -0.62 0.00 0.00 178.44 178.57 2kr5 h LYS 79 N 0.11 -0.80 -0.81 1.25 1.79 -0.72 -2.64 116.57 114.75 2kr5 h LYS 79 Ca -0.05 0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 2kr5 h LYS 79 Cb 1.26 0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 32.04 2kr5 h LYS 79 CO 0.12 -0.53 0.54 0.22 -1.08 0.00 0.00 179.45 178.71 2kr5 h ASP 80 N -0.83 0.88 -1.00 0.86 3.58 -0.90 -2.74 116.42 116.26 2kr5 h ASP 80 Ca -0.04 -0.01 0.16 0.00 0.42 0.00 0.00 57.03 57.56 2kr5 h ASP 80 Cb 0.74 -0.20 -0.10 0.00 1.72 0.00 0.00 39.33 41.49 2kr5 h ASP 80 CO -0.11 0.61 0.62 0.15 -2.88 0.00 0.00 179.24 177.63 2kr5 h PHE 81 N 1.02 1.07 -0.92 0.28 3.04 -1.08 0.76 116.94 121.11 2kr5 h PHE 81 Ca 0.32 0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.40 2kr5 h PHE 81 Cb 0.01 -0.33 -0.07 0.00 2.56 0.00 0.00 35.95 38.12 2kr5 h PHE 81 CO -0.00 0.32 0.59 0.52 -2.02 0.00 0.00 178.31 177.72 2kr5 h MET 82 N 0.84 0.89 0.05 1.11 2.86 -1.16 -3.05 114.93 116.48 2kr5 h MET 82 Ca 0.54 -0.05 -0.37 0.00 -2.06 0.00 0.00 59.70 57.76 2kr5 h MET 82 Cb 0.74 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 2kr5 h MET 82 CO -0.32 0.59 -2.14 1.28 1.06 0.00 0.00 176.91 177.38 2kr5 n LEU 83 N -4.54 2.58 -0.41 1.22 4.32 -0.14 -0.52 117.00 119.51 2kr5 n LEU 83 Ca 0.16 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 2kr5 n LEU 83 Cb 0.31 -0.99 0.00 0.00 -1.62 0.00 0.00 43.42 41.11 2kr5 n LEU 83 CO 0.31 0.78 0.00 0.61 -1.22 0.00 0.00 177.39 177.87 2kr5 n GLY 84 N 1.93 0.91 0.76 -0.72 0.00 0.25 -3.81 105.19 104.51 2kr5 n GLY 84 Ca -0.40 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 0.90 2.22 -0.04 1.61 2.88 -1.24 -2.93 113.62 117.03 2kr5 n SER 85 Ca 0.00 -1.94 -0.04 0.00 -1.33 0.00 0.00 58.87 55.55 2kr5 n SER 85 Cb 0.37 -0.25 -0.14 0.00 -0.75 0.00 0.00 64.21 63.44 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 1.19 -1.05 3.94 0.46 0.00 -1.26 -4.99 105.19 103.47 2kr5 n GLY 86 Ca 0.15 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.79 -4.22 0.24 1.61 2.03 -1.15 -4.87 116.55 107.41 2kr5 n ASP 87 Ca -0.20 -0.82 0.14 0.00 0.52 0.00 0.00 54.79 54.44 2kr5 n ASP 87 Cb 0.97 -3.74 0.36 0.00 -0.72 0.00 0.00 41.12 38.00 2kr5 n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kr5 h ALA 88 N 0.95 1.00 0.00 -1.67 0.00 -1.94 -3.51 119.26 114.08 2kr5 h ALA 88 Ca -0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2kr5 h ALA 88 Cb 1.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2kr5 h ALA 88 CO 0.68 0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.35