#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 0.00 0.00 0.23 -1.26 -4.16 119.30 117.79 2kr5 s MET 2 Ca 0.00 0.07 0.00 0.00 -1.03 0.00 0.00 55.69 54.73 2kr5 s MET 2 Cb 0.00 -3.02 0.00 0.00 -1.53 0.00 0.00 34.83 30.28 2kr5 s MET 2 CO 0.00 0.59 0.00 0.00 -2.03 0.00 0.00 175.02 173.58 2kr5 n ALA 3 N 0.93 0.00 -3.93 3.16 0.00 -1.26 -4.83 120.51 114.58 2kr5 n ALA 3 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 2kr5 n ALA 3 Cb 0.52 -0.03 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 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 0.00 1.92 0.00 0.00 2.47 -1.26 -5.02 119.74 117.86 2kr5 s LYS 4 Ca 0.00 -2.58 0.00 0.00 -1.56 0.00 0.00 55.97 51.83 2kr5 s LYS 4 Cb 0.00 -3.24 0.00 0.00 -1.46 0.00 0.00 37.83 33.13 2kr5 s LYS 4 CO 0.00 -1.12 0.00 0.41 0.16 0.00 0.00 175.35 174.80 2kr5 n GLY 5 N 3.13 -1.62 0.00 5.54 0.00 -1.26 -4.01 105.19 106.97 2kr5 n GLY 5 Ca 0.05 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.54 1.61 0.31 -1.26 -4.89 118.33 113.56 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 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 2.67 -1.02 3.73 2.92 0.00 0.25 -4.65 105.19 109.09 2kr5 n GLY 7 Ca 0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 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 4.02 0.87 1.61 -7.23 -1.07 -4.95 120.40 113.65 2kr5 s VAL 8 Ca 0.00 -1.44 -0.13 0.00 -1.81 0.00 0.00 61.98 58.60 2kr5 s VAL 8 Cb 0.00 -3.09 0.12 0.00 0.56 0.00 0.00 36.38 33.97 2kr5 s VAL 8 CO 0.00 -0.22 1.20 -0.44 -0.31 0.00 0.00 175.10 175.32 2kr5 s SER 9 N -3.35 3.92 0.38 4.85 0.01 -1.26 -4.79 113.70 113.46 2kr5 s SER 9 Ca 0.30 0.71 0.28 0.00 1.31 0.00 0.00 55.95 58.55 2kr5 s SER 9 Cb -0.09 -1.13 1.04 0.00 0.21 0.00 0.00 66.02 66.05 2kr5 s SER 9 CO 0.21 -2.27 1.81 0.78 0.41 0.00 0.00 173.24 174.19 2kr5 h ASN 10 N -1.31 0.00 -0.24 2.44 -0.26 -2.00 -2.07 115.58 112.15 2kr5 h ASN 10 Ca -0.47 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.20 2kr5 h ASN 10 Cb 1.31 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.57 2kr5 h ASN 10 CO 0.59 0.00 -0.15 -0.08 -1.06 0.00 0.00 177.43 176.73 2kr5 h GLU 11 N 0.00 0.52 0.00 0.81 4.81 -1.99 -1.54 114.58 117.18 2kr5 h GLU 11 Ca 0.00 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 2kr5 h GLU 11 Cb 0.54 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 2kr5 h GLU 11 CO 0.00 0.80 -0.15 0.87 -0.73 0.00 0.00 179.01 179.80 2kr5 h LYS 12 N 0.23 0.00 0.00 1.92 1.57 -1.78 -1.24 116.57 117.27 2kr5 h LYS 12 Ca 0.05 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 2kr5 h LYS 12 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2kr5 h LYS 12 CO 0.04 0.15 -0.46 1.25 -0.57 0.00 0.00 179.45 179.86 2kr5 h LEU 13 N 0.00 0.00 0.02 2.94 5.85 -1.13 -2.05 115.31 120.95 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 0.65 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2kr5 h LEU 13 CO 0.02 0.46 -1.13 -0.78 -0.34 0.00 0.00 178.44 176.67 2kr5 h ASP 14 N 0.00 0.08 0.55 1.25 3.58 -0.22 -3.27 116.42 118.38 2kr5 h ASP 14 Ca -0.00 -0.09 -0.23 0.00 0.42 0.00 0.00 57.03 57.12 2kr5 h ASP 14 Cb 0.97 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 2kr5 h ASP 14 CO 0.06 1.07 -1.03 0.00 -2.88 0.00 0.00 179.24 176.46 2kr5 h ALA 15 N 0.92 0.32 -0.42 -0.78 0.00 -1.21 -3.22 119.26 114.86 2kr5 h ALA 15 Ca -0.07 -0.79 -0.07 0.00 0.00 0.00 0.00 54.91 53.99 2kr5 h ALA 15 Cb 1.83 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 2kr5 h ALA 15 CO 0.14 0.92 0.01 -0.24 0.00 0.00 0.00 179.25 180.08 2kr5 h VAL 16 N 0.13 1.26 -0.05 0.00 3.04 -1.48 -2.67 116.25 116.47 2kr5 h VAL 16 Ca -0.08 -1.01 -0.05 0.00 -1.01 0.00 0.00 66.70 64.55 2kr5 h VAL 16 Cb 1.70 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 32.05 2kr5 h VAL 16 CO 0.17 0.35 -0.18 0.24 -1.01 0.00 0.00 177.57 177.13 2kr5 h MET 17 N 0.58 0.08 0.00 4.17 2.07 -1.61 0.15 114.93 120.38 2kr5 h MET 17 Ca 0.12 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.73 2kr5 h MET 17 Cb 0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.19 2kr5 h MET 17 CO 0.02 0.27 -0.35 0.07 1.07 0.00 0.00 176.91 177.99 2kr5 h ARG 18 N 0.08 0.00 0.05 1.72 0.11 -1.55 -0.60 114.38 114.18 2kr5 h ARG 18 Ca 0.01 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.87 2kr5 h ARG 18 Cb 0.37 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 2kr5 h ARG 18 CO 0.03 0.00 -1.04 0.28 0.10 0.00 0.00 179.97 179.34 2kr5 h VAL 19 N 0.00 1.55 -0.28 0.08 2.07 -0.93 -3.18 116.25 115.56 2kr5 h VAL 19 Ca 0.00 -2.98 -0.16 0.00 0.82 0.00 0.00 66.70 64.38 2kr5 h VAL 19 Cb 0.96 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.46 2kr5 h VAL 19 CO 0.00 0.86 -0.45 0.58 0.02 0.00 0.00 177.57 178.58 2kr5 h VAL 20 N 0.07 1.29 -0.02 2.57 2.07 -0.90 -2.91 116.25 118.42 2kr5 h VAL 20 Ca -0.07 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 2kr5 h VAL 20 Cb 1.74 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2kr5 h VAL 20 CO 0.16 0.53 0.01 0.77 0.02 0.00 0.00 177.57 179.06 2kr5 h SER 21 N 0.58 0.02 0.00 0.57 4.64 -1.15 -0.56 113.55 117.66 2kr5 h SER 21 Ca 0.04 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2kr5 h SER 21 Cb 1.01 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2kr5 h SER 21 CO 0.10 0.08 -0.01 -0.33 -0.87 0.00 0.00 176.83 175.79 2kr5 h GLU 22 N -0.03 -0.02 -0.00 4.77 4.39 -1.58 -1.14 114.58 120.97 2kr5 h GLU 22 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2kr5 h GLU 22 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2kr5 h GLU 22 CO -0.00 -0.01 -0.31 0.39 -1.16 0.00 0.00 179.01 177.91 2kr5 n GLU 23 N -5.11 0.14 -0.02 2.33 -0.58 -1.10 -3.24 120.64 113.06 2kr5 n GLU 23 Ca -0.07 -0.06 -0.01 0.00 -0.42 0.00 0.00 57.16 56.60 2kr5 n GLU 23 Cb 0.04 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.29 2kr5 n GLU 23 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2kr5 n SER 24 N -1.37 0.40 0.00 1.62 7.64 -0.22 -4.82 113.62 116.87 2kr5 n SER 24 Ca 0.07 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2kr5 n SER 24 Cb 0.33 0.81 0.00 0.00 -1.01 0.00 0.00 64.21 64.34 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 1.49 0.54 3.90 0.23 0.00 -0.44 -4.98 105.19 105.93 2kr5 n GLY 25 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.22 4.99 0.37 -0.61 1.01 -1.15 -5.02 121.20 118.56 2kr5 s ILE 26 Ca 0.00 0.16 -0.27 0.00 0.00 0.00 0.00 60.65 60.54 2kr5 s ILE 26 Cb 0.00 -3.73 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 2kr5 s ILE 26 CO 0.00 -0.34 1.21 0.00 0.00 0.00 0.00 174.94 175.81 2kr5 s ALA 27 N -2.11 3.29 0.28 9.38 0.00 -1.26 -4.49 121.76 126.84 2kr5 s ALA 27 Ca 0.45 1.06 -0.02 0.00 0.00 0.00 0.00 51.96 53.46 2kr5 s ALA 27 Cb -0.11 -3.41 0.44 0.00 0.00 0.00 0.00 23.12 20.04 2kr5 s ALA 27 CO 0.30 -0.54 1.91 1.25 0.00 0.00 0.00 175.76 178.67 2kr5 h LEU 28 N 3.00 1.00 -0.95 0.00 6.46 -1.92 0.43 115.31 123.33 2kr5 h LEU 28 Ca -0.49 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 2kr5 h LEU 28 Cb 1.23 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 2kr5 h LEU 28 CO 0.64 0.66 0.00 -0.33 -0.62 0.00 0.00 178.44 178.79 2kr5 h GLU 29 N 1.14 0.00 -0.10 1.25 4.39 -1.99 -1.97 114.58 117.31 2kr5 h GLU 29 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 2kr5 h GLU 29 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2kr5 h GLU 29 CO -0.14 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.10 2kr5 n GLU 30 N -2.32 1.27 -2.32 2.33 1.02 0.07 -4.89 120.64 115.80 2kr5 n GLU 30 Ca 0.01 -1.48 -0.42 0.00 -0.02 0.00 0.00 57.16 55.25 2kr5 n GLU 30 Cb 0.19 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.11 3.48 0.31 -4.62 2.96 -0.74 -4.91 118.68 114.06 2kr5 s LEU 31 Ca 0.18 0.60 0.09 0.00 -0.22 0.00 0.00 54.13 54.79 2kr5 s LEU 31 Cb 0.12 -3.27 -0.05 0.00 0.50 0.00 0.00 46.19 43.49 2kr5 s LEU 31 CO 0.17 -1.63 0.04 0.42 -1.32 0.00 0.00 176.35 174.03 2kr5 s THR 32 N 6.04 3.09 -0.89 3.68 -4.23 -1.26 -5.01 115.64 117.06 2kr5 s THR 32 Ca 0.59 -1.88 0.28 0.00 -1.18 0.00 0.00 61.69 59.50 2kr5 s THR 32 Cb -0.13 -2.86 0.26 0.00 1.34 0.00 0.00 72.50 71.11 2kr5 s THR 32 CO 0.29 -0.28 1.86 -0.90 -0.54 0.00 0.00 174.62 175.06 2kr5 n ASP 33 N -0.98 0.33 0.17 3.99 5.75 -1.26 -3.16 116.55 121.40 2kr5 n ASP 33 Ca -0.05 0.53 0.11 0.00 -0.01 0.00 0.00 54.79 55.37 2kr5 n ASP 33 Cb 0.60 -0.62 0.09 0.00 -1.03 0.00 0.00 41.12 40.17 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 -4.04 -1.12 3.58 -1.97 -3.07 116.42 109.80 2kr5 h ASP 34 Ca 0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 2kr5 h ASP 34 Cb 0.59 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.74 2kr5 h ASP 34 CO 0.00 0.04 0.51 -0.94 -2.88 0.00 0.00 179.24 175.97 2kr5 s SER 35 N -5.90 5.71 -0.15 2.28 1.04 -1.19 -4.85 113.70 110.64 2kr5 s SER 35 Ca 0.04 2.43 -0.01 0.00 0.48 0.00 0.00 55.95 58.89 2kr5 s SER 35 Cb 0.07 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 2kr5 s SER 35 CO 0.72 -1.24 -0.12 0.21 0.98 0.00 0.00 173.24 173.79 2kr5 s ASN 36 N -1.34 3.99 0.12 7.02 3.84 -1.26 -1.46 114.94 125.86 2kr5 s ASN 36 Ca 0.69 -0.37 -0.22 0.00 0.21 0.00 0.00 52.86 53.18 2kr5 s ASN 36 Cb -0.32 -1.62 -0.06 0.00 -0.55 0.00 0.00 41.25 38.70 2kr5 s ASN 36 CO 0.37 0.12 1.70 -0.26 -2.79 0.00 0.00 177.10 176.24 2kr5 h PHE 37 N 7.07 -0.18 -0.01 0.43 0.04 -0.67 -0.41 116.94 123.20 2kr5 h PHE 37 Ca -0.30 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.38 2kr5 h PHE 37 Cb 1.20 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.43 2kr5 h PHE 37 CO 0.52 -0.12 -0.48 0.00 -0.60 0.00 0.00 178.31 177.63 2kr5 h ALA 38 N 1.01 1.19 0.00 2.45 0.00 -1.83 -0.34 119.26 121.74 2kr5 h ALA 38 Ca 0.07 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 2kr5 h ALA 38 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2kr5 h ALA 38 CO -0.16 0.60 -0.54 0.22 0.00 0.00 0.00 179.25 179.37 2kr5 h ASP 39 N 0.02 0.00 1.46 0.00 3.58 -1.78 -2.96 116.42 116.74 2kr5 h ASP 39 Ca -0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2kr5 h ASP 39 Cb 0.85 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 2kr5 h ASP 39 CO 0.06 0.54 -0.56 0.24 -2.88 0.00 0.00 179.24 176.64 2kr5 h MET 40 N 0.00 0.00 0.00 0.28 2.86 -0.62 -3.48 114.93 113.97 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 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2kr5 h MET 40 CO 0.07 0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.67 2kr5 n GLY 41 N 1.20 1.63 3.59 8.32 0.00 -0.86 -5.06 105.19 114.02 2kr5 n GLY 41 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.61 0.92 -0.61 -1.09 -0.19 -4.99 121.20 116.85 2kr5 s ILE 42 Ca 0.00 0.59 -0.14 0.00 -2.23 0.00 0.00 60.65 58.87 2kr5 s ILE 42 Cb 0.00 -3.91 0.18 0.00 -1.58 0.00 0.00 42.46 37.14 2kr5 s ILE 42 CO 0.00 -0.64 1.28 -1.81 -1.23 0.00 0.00 174.94 172.54 2kr5 s ASP 43 N 5.58 3.41 0.25 3.58 1.01 -1.26 -4.65 116.67 124.59 2kr5 s ASP 43 Ca 0.70 0.29 -0.05 0.00 0.71 0.00 0.00 52.55 54.21 2kr5 s ASP 43 Cb -0.18 -0.43 0.28 0.00 1.01 0.00 0.00 42.92 43.61 2kr5 s ASP 43 CO 0.31 -2.55 1.89 0.77 0.21 0.00 0.00 175.17 175.80 2kr5 h SER 44 N -1.48 1.07 0.25 0.27 4.64 -1.95 -1.90 113.55 114.45 2kr5 h SER 44 Ca -0.44 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2kr5 h SER 44 Cb 1.25 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 63.03 2kr5 h SER 44 CO 0.42 0.84 -0.51 0.25 -0.87 0.00 0.00 176.83 176.96 2kr5 h LEU 45 N 1.22 -1.50 -0.62 5.97 7.12 -1.99 0.11 115.31 125.62 2kr5 h LEU 45 Ca 0.31 0.15 -0.02 0.00 0.13 0.00 0.00 57.88 58.45 2kr5 h LEU 45 Cb -0.02 0.53 -0.03 0.00 -0.53 0.00 0.00 40.66 40.61 2kr5 h LEU 45 CO -0.06 -0.59 0.31 0.28 -0.13 0.00 0.00 178.44 178.25 2kr5 h SER 46 N -0.83 0.81 -0.83 1.25 0.02 -1.86 -1.40 113.55 110.71 2kr5 h SER 46 Ca -0.02 -0.12 0.06 0.00 -0.84 0.00 0.00 61.79 60.87 2kr5 h SER 46 Cb 0.79 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 2kr5 h SER 46 CO -0.21 0.70 0.54 0.28 -1.14 0.00 0.00 176.83 177.00 2kr5 h SER 47 N 0.85 0.80 -0.10 3.07 0.02 -0.91 0.12 113.55 117.41 2kr5 h SER 47 Ca 0.22 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.94 2kr5 h SER 47 Cb 0.10 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.49 2kr5 h SER 47 CO -0.03 0.52 -0.85 -0.03 -1.14 0.00 0.00 176.83 175.30 2kr5 h MET 48 N 0.91 0.75 -0.61 3.45 -1.53 -0.34 -2.91 114.93 114.65 2kr5 h MET 48 Ca 0.36 -0.67 -0.04 0.00 -3.44 0.00 0.00 59.70 55.91 2kr5 h MET 48 Cb 0.22 0.16 -0.03 0.00 -0.55 0.00 0.00 31.60 31.41 2kr5 h MET 48 CO -0.13 1.27 0.23 0.28 0.14 0.00 0.00 176.91 178.70 2kr5 h VAL 49 N 0.46 1.23 0.48 -5.77 2.07 -0.38 0.08 116.25 114.42 2kr5 h VAL 49 Ca -0.08 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2kr5 h VAL 49 Cb 1.49 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2kr5 h VAL 49 CO 0.17 0.29 -0.30 0.40 0.02 0.00 0.00 177.57 178.15 2kr5 h ILE 50 N 0.85 0.38 0.00 4.57 2.04 -0.83 -1.64 117.51 122.87 2kr5 h ILE 50 Ca 0.20 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 2kr5 h ILE 50 Cb 0.22 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2kr5 h ILE 50 CO -0.01 0.00 -0.12 1.23 0.00 0.00 0.00 178.15 179.25 2kr5 h GLY 51 N -0.74 0.00 0.80 5.37 0.00 -1.38 -1.99 103.07 105.13 2kr5 h GLY 51 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2kr5 h GLY 51 CO 0.05 0.00 -0.02 0.23 0.00 0.00 0.00 176.54 176.80 2kr5 h SER 52 N 0.00 -0.04 0.28 0.19 0.87 -0.59 -2.84 113.55 111.42 2kr5 h SER 52 Ca -0.00 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 2kr5 h SER 52 Cb 0.27 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2kr5 h SER 52 CO 0.02 0.17 -0.15 0.03 -0.53 0.00 0.00 176.83 176.37 2kr5 h ARG 53 N -0.25 0.00 -0.81 2.24 3.08 -0.69 0.11 114.38 118.06 2kr5 h ARG 53 Ca -0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2kr5 h ARG 53 Cb 0.23 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 2kr5 h ARG 53 CO 0.01 0.15 0.46 0.74 -1.07 0.00 0.00 179.97 180.26 2kr5 h PHE 54 N 0.00 0.84 0.13 3.04 -1.00 -1.14 0.29 116.94 119.10 2kr5 h PHE 54 Ca -0.00 0.03 -0.31 0.00 2.81 0.00 0.00 57.97 60.50 2kr5 h PHE 54 Cb 0.33 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.63 2kr5 h PHE 54 CO 0.00 0.34 -1.56 0.00 -1.61 0.00 0.00 178.31 175.48 2kr5 h ARG 55 N 0.77 0.28 0.04 1.51 3.08 -0.81 0.49 114.38 119.74 2kr5 h ARG 55 Ca 0.39 -0.48 -0.18 0.00 0.07 0.00 0.00 59.98 59.79 2kr5 h ARG 55 Cb 0.37 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2kr5 h ARG 55 CO -0.25 1.15 -0.93 0.93 -1.07 0.00 0.00 179.97 179.80 2kr5 h GLU 56 N 0.08 0.08 0.00 0.04 5.08 -0.70 -3.14 114.58 116.01 2kr5 h GLU 56 Ca -0.26 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 57.82 2kr5 h GLU 56 Cb 2.03 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.31 2kr5 h GLU 56 CO 0.17 1.07 -0.80 -0.44 -1.00 0.00 0.00 179.01 178.00 2kr5 h ASP 57 N -0.77 0.00 0.13 1.42 3.32 -0.66 -3.41 116.42 116.46 2kr5 h ASP 57 Ca -0.23 -0.65 -0.27 0.00 0.02 0.00 0.00 57.03 55.90 2kr5 h ASP 57 Cb 1.36 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.92 2kr5 h ASP 57 CO -0.06 1.30 -1.33 -0.07 -1.72 0.00 0.00 179.24 177.36 2kr5 h LEU 58 N -1.00 0.45 0.00 1.55 4.07 -1.32 -3.49 115.31 115.57 2kr5 h LEU 58 Ca -0.22 -0.88 0.00 0.00 0.08 0.00 0.00 57.88 56.86 2kr5 h LEU 58 Cb 1.17 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.76 2kr5 h LEU 58 CO -0.13 1.59 0.00 0.61 -1.08 0.00 0.00 178.44 179.43 2kr5 n GLY 59 N 1.74 1.18 3.76 0.83 0.00 0.11 -4.99 105.19 107.82 2kr5 n GLY 59 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 4.47 -0.86 0.99 1.43 0.13 -4.90 118.68 119.94 2kr5 s LEU 60 Ca 0.00 2.04 -0.06 0.00 -1.03 0.00 0.00 54.13 55.08 2kr5 s LEU 60 Cb 0.00 -3.80 0.22 0.00 0.03 0.00 0.00 46.19 42.64 2kr5 s LEU 60 CO 0.00 -0.09 0.76 -1.81 0.23 0.00 0.00 176.35 175.44 2kr5 s ASP 61 N -1.25 6.24 0.02 2.29 1.01 -1.26 -3.81 116.67 119.91 2kr5 s ASP 61 Ca 0.47 -3.26 0.11 0.00 0.71 0.00 0.00 52.55 50.58 2kr5 s ASP 61 Cb -0.26 -2.02 -0.22 0.00 1.01 0.00 0.00 42.92 41.43 2kr5 s ASP 61 CO 0.32 -0.34 0.89 -0.07 0.21 0.00 0.00 175.17 176.18 2kr5 h LEU 62 N 6.78 0.00 0.00 1.23 -0.00 -1.95 -3.50 115.31 117.88 2kr5 h LEU 62 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2kr5 h LEU 62 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.57 2kr5 h LEU 62 CO 0.83 0.98 0.00 0.61 -0.00 0.00 0.00 178.44 180.86 2kr5 n GLY 63 N 1.48 2.50 0.03 0.83 0.00 -1.26 -4.75 105.19 104.01 2kr5 n GLY 63 Ca -0.11 -2.04 0.13 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.32 0.13 -0.43 1.61 -0.04 -1.26 -4.07 135.00 129.61 2kr5 n PRO 64 Ca 0.00 -0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.47 2kr5 n PRO 64 Cb 0.00 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.39 0.99 -2.72 0.54 1.02 -1.26 -5.00 120.64 112.82 2kr5 n GLU 65 Ca 0.07 -2.42 -0.43 0.00 -0.02 0.00 0.00 57.16 54.37 2kr5 n GLU 65 Cb 0.33 -1.19 -0.03 0.00 -0.02 0.00 0.00 31.44 30.53 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 -2.15 3.06 -0.12 -0.32 5.36 -1.26 -5.01 117.98 117.55 2kr5 s PHE 66 Ca 0.28 0.91 -0.01 0.00 -0.96 0.00 0.00 56.93 57.15 2kr5 s PHE 66 Cb 0.26 -3.78 0.03 0.00 -0.34 0.00 0.00 43.02 39.20 2kr5 s PHE 66 CO -0.02 -0.87 -0.03 -1.12 -1.46 0.00 0.00 175.22 171.71 2kr5 s SER 67 N 1.89 2.20 0.30 6.13 0.01 -1.26 -4.74 113.70 118.22 2kr5 s SER 67 Ca 0.42 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 57.35 2kr5 s SER 67 Cb -0.11 -0.69 0.62 0.00 0.21 0.00 0.00 66.02 66.05 2kr5 s SER 67 CO 0.20 -0.18 1.85 -0.07 0.41 0.00 0.00 173.24 175.44 2kr5 h LEU 68 N 8.23 0.86 -0.34 2.44 3.38 -1.91 0.36 115.31 128.32 2kr5 h LEU 68 Ca -0.23 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2kr5 h LEU 68 Cb 1.12 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kr5 h LEU 68 CO 0.35 0.46 0.00 0.33 0.09 0.00 0.00 178.44 179.67 2kr5 n PHE 69 N -4.59 0.20 0.00 1.13 7.35 -1.26 -1.00 117.46 119.29 2kr5 n PHE 69 Ca 0.18 0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 2kr5 n PHE 69 Cb 0.37 -0.66 0.00 0.00 0.35 0.00 0.00 39.48 39.54 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 -1.70 0.00 0.81 -2.13 5.41 0.05 -4.81 119.36 116.98 2kr5 n ILE 70 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.86 2kr5 n ILE 70 Cb 0.05 -0.61 -0.11 0.00 -0.71 0.00 0.00 39.64 38.26 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 -1.97 0.80 -4.11 4.38 8.00 0.11 -4.98 116.55 118.77 2kr5 n ASP 71 Ca 0.00 -0.76 -0.10 0.00 0.71 0.00 0.00 54.79 54.64 2kr5 n ASP 71 Cb 0.40 1.12 -0.09 0.00 -0.02 0.00 0.00 41.12 42.53 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 -0.13 0.09 -2.35 0.00 -2.24 -1.26 -4.49 114.28 103.89 2kr5 n THR 73 Ca -0.05 0.03 -0.26 0.00 -2.27 0.00 0.00 64.05 61.50 2kr5 n THR 73 Cb 0.64 -0.39 0.14 0.00 -2.10 0.00 0.00 70.33 68.62 2kr5 n THR 73 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2kr5 s THR 74 N -1.37 2.06 0.04 4.28 -4.23 -1.26 0.03 115.64 115.19 2kr5 s THR 74 Ca 0.00 -0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 60.08 2kr5 s THR 74 Cb 0.00 -2.68 -0.29 0.00 1.34 0.00 0.00 72.50 70.87 2kr5 s THR 74 CO 0.00 0.00 1.00 0.58 -0.54 0.00 0.00 174.62 175.66 2kr5 h VAL 75 N -0.97 1.32 -0.35 2.29 2.07 -1.35 -3.21 116.25 116.06 2kr5 h VAL 75 Ca -0.39 -2.90 -0.01 0.00 0.82 0.00 0.00 66.70 64.22 2kr5 h VAL 75 Cb 1.25 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.88 2kr5 h VAL 75 CO 0.38 0.85 0.18 -0.09 0.02 0.00 0.00 177.57 178.91 2kr5 h ARG 76 N 0.08 0.47 -0.69 1.57 9.65 -1.80 -2.15 114.38 121.50 2kr5 h ARG 76 Ca -0.20 -0.04 0.08 0.00 -1.10 0.00 0.00 59.98 58.72 2kr5 h ARG 76 Cb 2.02 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 30.46 2kr5 h ARG 76 CO 0.20 0.36 0.46 0.00 2.80 0.00 0.00 179.97 183.78 2kr5 h ALA 77 N 1.72 1.79 -0.05 2.80 0.00 -1.86 0.16 119.26 123.82 2kr5 h ALA 77 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2kr5 h ALA 77 Cb 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2kr5 h ALA 77 CO -0.02 0.08 -0.04 1.25 0.00 0.00 0.00 179.25 180.53 2kr5 h LEU 78 N 0.66 0.12 0.23 0.00 6.46 -1.50 -2.57 115.31 118.71 2kr5 h LEU 78 Ca 0.31 -0.45 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2kr5 h LEU 78 Cb 0.35 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 2kr5 h LEU 78 CO -0.10 0.55 -0.44 0.11 -0.62 0.00 0.00 178.44 177.93 2kr5 h LYS 79 N -0.31 -0.70 -0.97 1.25 1.79 -0.92 -1.77 116.57 114.94 2kr5 h LYS 79 Ca 0.01 0.05 0.15 0.00 -2.18 0.00 0.00 60.65 58.67 2kr5 h LYS 79 Cb 0.51 0.16 -0.09 0.00 -1.58 0.00 0.00 32.23 31.23 2kr5 h LYS 79 CO 0.01 -0.47 0.61 -0.44 -1.08 0.00 0.00 179.45 178.08 2kr5 h ASP 80 N -0.73 0.80 -0.53 0.86 5.19 -0.85 -1.34 116.42 119.83 2kr5 h ASP 80 Ca -0.03 0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.45 2kr5 h ASP 80 Cb 0.68 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 2kr5 h ASP 80 CO -0.17 0.38 0.34 0.15 -3.12 0.00 0.00 179.24 176.83 2kr5 h PHE 81 N 0.84 0.65 -0.48 4.55 3.57 -0.97 -1.25 116.94 123.83 2kr5 h PHE 81 Ca 0.50 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.00 2kr5 h PHE 81 Cb 0.68 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2kr5 h PHE 81 CO -0.00 0.40 0.24 0.52 -2.23 0.00 0.00 178.31 177.24 2kr5 h MET 82 N 0.69 0.69 0.00 1.11 2.86 -0.41 -1.11 114.93 118.77 2kr5 h MET 82 Ca 0.20 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2kr5 h MET 82 Cb -0.06 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.48 2kr5 h MET 82 CO -0.05 0.57 0.00 -0.07 1.06 0.00 0.00 176.91 178.42 2kr5 h LEU 83 N 0.64 0.00 0.00 1.22 4.07 -1.31 0.79 115.31 120.72 2kr5 h LEU 83 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2kr5 h LEU 83 Cb 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.84 2kr5 h LEU 83 CO -0.02 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.95 2kr5 n GLY 84 N -0.49 1.21 1.26 0.83 0.00 -0.45 -1.98 105.19 105.57 2kr5 n GLY 84 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2kr5 n GLY 84 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kr5 n SER 85 N 0.00 3.54 -1.59 1.61 7.64 -0.51 -3.32 113.62 121.00 2kr5 n SER 85 Ca 0.00 -2.30 0.01 0.00 1.01 0.00 0.00 58.87 57.58 2kr5 n SER 85 Cb 0.00 -0.64 0.30 0.00 -1.01 0.00 0.00 64.21 62.86 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 0.40 3.79 0.26 0.23 0.00 -1.26 -4.56 105.19 104.05 2kr5 n GLY 86 Ca 0.09 -1.03 0.18 0.00 0.00 0.00 0.00 46.02 45.26 2kr5 n GLY 86 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kr5 h ASP 87 N 2.50 0.00 0.45 1.61 3.58 -1.83 -2.36 116.42 120.36 2kr5 h ASP 87 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2kr5 h ASP 87 Cb 1.96 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.01 2kr5 h ASP 87 CO 0.52 0.00 -0.08 0.00 -2.88 0.00 0.00 179.24 176.80 2kr5 n ALA 88 N -1.99 2.68 -0.90 -0.78 0.00 -1.26 -5.06 120.51 113.19 2kr5 n ALA 88 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2kr5 n ALA 88 Cb 0.17 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2kr5 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91