#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbr n ASP 2 N 0.00 7.45 0.00 3.17 5.68 -1.26 -4.10 116.55 127.49 2kbr n ASP 2 Ca 0.00 -3.71 0.00 0.00 -0.50 0.00 0.00 54.79 50.58 2kbr n ASP 2 Cb 0.00 -1.05 0.00 0.00 -1.14 0.00 0.00 41.12 38.93 2kbr n ASP 2 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2kbr n ARG 3 N -0.50 0.00 0.10 0.11 5.12 -1.26 -4.96 116.66 115.27 2kbr n ARG 3 Ca 0.55 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 56.47 2kbr n ARG 3 Cb 0.45 0.00 0.27 0.00 -1.16 0.00 0.00 32.46 32.02 2kbr n ARG 3 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2kbr h LYS 4 N 0.00 0.23 -1.00 5.56 1.57 -2.00 -2.80 116.57 118.13 2kbr h LYS 4 Ca 0.00 -0.09 0.16 0.00 -1.87 0.00 0.00 60.65 58.85 2kbr h LYS 4 Cb 0.00 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.20 2kbr h LYS 4 CO 0.00 0.55 0.62 0.28 -0.57 0.00 0.00 179.45 180.33 2kbr h VAL 5 N 0.20 0.79 -0.10 0.50 2.07 -1.93 0.23 116.25 118.01 2kbr h VAL 5 Ca 0.02 -0.29 -0.17 0.00 0.82 0.00 0.00 66.70 67.08 2kbr h VAL 5 Cb 0.71 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2kbr h VAL 5 CO 0.05 0.15 -0.68 0.00 0.02 0.00 0.00 177.57 177.12 2kbr h ALA 6 N 1.60 0.65 -0.55 1.67 0.00 -1.85 -1.80 119.26 118.99 2kbr h ALA 6 Ca 0.54 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2kbr h ALA 6 Cb 0.74 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2kbr h ALA 6 CO -0.33 0.74 -0.09 -0.09 0.00 0.00 0.00 179.25 179.48 2kbr h ARG 7 N 0.29 1.02 -0.01 0.00 2.43 -0.64 0.13 114.38 117.59 2kbr h ARG 7 Ca -0.02 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 2kbr h ARG 7 Cb 1.23 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2kbr h ARG 7 CO 0.12 1.05 -0.03 1.49 -1.51 0.00 0.00 179.97 181.09 2kbr h GLU 8 N 0.91 0.04 -0.66 0.20 4.22 -0.68 0.46 114.58 119.07 2kbr h GLU 8 Ca 0.14 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.56 2kbr h GLU 8 Cb 0.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2kbr h GLU 8 CO 0.05 0.61 0.42 0.35 -2.18 0.00 0.00 179.01 178.25 2kbr h PHE 9 N -0.51 0.85 -0.12 0.92 3.57 -1.32 0.14 116.94 120.47 2kbr h PHE 9 Ca 0.00 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 2kbr h PHE 9 Cb 0.60 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2kbr h PHE 9 CO 0.12 0.56 -0.24 -0.09 -2.23 0.00 0.00 178.31 176.43 2kbr h ARG 10 N 0.90 0.38 -0.52 1.11 1.12 -0.77 -2.43 114.38 114.16 2kbr h ARG 10 Ca 0.24 -0.25 0.03 0.00 -1.11 0.00 0.00 59.98 58.90 2kbr h ARG 10 Cb -0.07 0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 29.89 2kbr h ARG 10 CO -0.05 0.85 0.29 1.25 -3.11 0.00 0.00 179.97 179.20 2kbr h HIS 11 N -0.04 0.55 0.36 2.20 2.76 0.13 -0.50 115.15 120.61 2kbr h HIS 11 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2kbr h HIS 11 Cb 0.84 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.62 2kbr h HIS 11 CO 0.10 0.30 -0.20 -0.22 -1.30 0.00 0.00 177.93 176.61 2kbr h LYS 12 N 0.58 -0.51 -0.92 5.26 3.11 -0.75 0.81 116.57 124.15 2kbr h LYS 12 Ca 0.22 0.03 0.16 0.00 -2.81 0.00 0.00 60.65 58.25 2kbr h LYS 12 Cb 0.06 0.12 -0.08 0.00 -1.00 0.00 0.00 32.23 31.33 2kbr h LYS 12 CO -0.12 -0.34 0.59 0.28 -2.81 0.00 0.00 179.45 177.05 2kbr h VAL 13 N -0.53 0.80 0.00 2.00 2.07 -1.16 0.24 116.25 119.67 2kbr h VAL 13 Ca -0.04 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 2kbr h VAL 13 Cb 0.43 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2kbr h VAL 13 CO 0.05 0.12 -0.58 -0.78 0.02 0.00 0.00 177.57 176.40 2kbr h ASP 14 N 0.68 0.00 0.51 0.57 3.58 -0.52 -0.91 116.42 120.33 2kbr h ASP 14 Ca 0.47 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.82 2kbr h ASP 14 Cb 0.79 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 2kbr h ASP 14 CO -0.23 0.58 -0.46 0.15 -2.88 0.00 0.00 179.24 176.40 2kbr h PHE 15 N 0.00 0.00 0.00 0.28 3.04 0.19 0.19 116.94 120.64 2kbr h PHE 15 Ca -0.01 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.82 2kbr h PHE 15 Cb 1.09 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.59 2kbr h PHE 15 CO 0.00 0.46 -0.76 -0.07 -2.02 0.00 0.00 178.31 175.92 2kbr h LEU 16 N 0.00 0.00 0.19 0.59 3.38 -1.15 -3.41 115.31 114.90 2kbr h LEU 16 Ca -0.00 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 2kbr h LEU 16 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2kbr h LEU 16 CO 0.06 1.20 -0.09 0.40 0.09 0.00 0.00 178.44 180.10 2kbr h ILE 17 N -1.00 0.54 0.00 1.22 1.08 -1.24 -3.47 117.51 114.65 2kbr h ILE 17 Ca -0.19 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.22 2kbr h ILE 17 Cb 1.02 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 2kbr h ILE 17 CO -0.12 0.15 0.00 -0.62 -0.69 0.00 0.00 178.15 176.88 2kbr n GLU 18 N -4.93 -0.64 -1.92 2.37 1.02 0.65 -4.92 120.64 112.27 2kbr n GLU 18 Ca -0.06 0.16 -0.06 0.00 -0.02 0.00 0.00 57.16 57.18 2kbr n GLU 18 Cb 0.22 -4.23 0.00 0.00 -0.02 0.00 0.00 31.44 27.41 2kbr n GLU 18 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2kbr n ASN 19 N -0.32 1.22 0.00 1.62 2.85 -1.26 -5.09 115.26 114.28 2kbr n ASN 19 Ca 0.00 -1.42 0.00 0.00 -0.11 0.00 0.00 54.58 53.05 2kbr n ASN 19 Cb 0.16 -0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.15 2kbr n ASN 19 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kbr n ASP 20 N -2.14 0.74 -0.30 1.20 9.92 -1.26 -4.46 116.55 120.25 2kbr n ASP 20 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 2kbr n ASP 20 Cb 0.14 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 40.73 2kbr n ASP 20 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kbr h ALA 21 N 0.00 1.09 -0.18 2.24 0.00 -1.98 0.38 119.26 120.81 2kbr h ALA 21 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2kbr h ALA 21 Cb 0.93 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2kbr h ALA 21 CO 0.00 0.33 -0.02 0.93 0.00 0.00 0.00 179.25 180.50 2kbr h GLU 22 N 1.01 0.33 -0.04 0.00 5.08 -1.99 -2.29 114.58 116.67 2kbr h GLU 22 Ca 0.34 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2kbr h GLU 22 Cb 0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2kbr h GLU 22 CO -0.13 0.56 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.02 2kbr h LYS 23 N 0.07 0.07 -0.08 2.33 3.64 -1.68 0.03 116.57 120.94 2kbr h LYS 23 Ca 0.05 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2kbr h LYS 23 Cb 0.42 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2kbr h LYS 23 CO 0.01 0.28 0.04 0.22 -2.27 0.00 0.00 179.45 177.73 2kbr h ASP 24 N 0.07 0.11 -0.15 4.20 1.82 0.02 0.49 116.42 122.96 2kbr h ASP 24 Ca 0.01 -0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 56.50 2kbr h ASP 24 Cb 0.41 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.38 2kbr h ASP 24 CO 0.03 0.20 -0.03 0.22 -1.61 0.00 0.00 179.24 178.05 2kbr h TYR 25 N 0.00 0.33 -0.89 0.28 3.20 -1.01 0.10 116.97 118.98 2kbr h TYR 25 Ca 0.03 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.89 2kbr h TYR 25 Cb 0.12 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.25 2kbr h TYR 25 CO -0.03 0.56 0.56 1.25 -1.64 0.00 0.00 178.16 178.86 2kbr h LEU 26 N -0.00 0.89 -1.49 2.82 5.85 -0.92 0.82 115.31 123.28 2kbr h LEU 26 Ca 0.04 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2kbr h LEU 26 Cb 0.45 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2kbr h LEU 26 CO 0.01 0.57 0.19 1.88 -0.34 0.00 0.00 178.44 180.75 2kbr h TYR 27 N 1.02 0.52 -0.08 1.25 0.05 0.22 -0.40 116.97 119.56 2kbr h TYR 27 Ca 0.38 -0.01 -0.16 0.00 0.05 0.00 0.00 58.73 59.00 2kbr h TYR 27 Cb 0.16 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 2kbr h TYR 27 CO -0.02 0.38 -0.64 0.22 -1.05 0.00 0.00 178.16 177.05 2kbr h ASP 28 N 0.54 0.33 -0.04 3.88 1.82 0.22 -1.86 116.42 121.30 2kbr h ASP 28 Ca 0.14 -0.20 -0.01 0.00 -0.39 0.00 0.00 57.03 56.57 2kbr h ASP 28 Cb 0.05 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 39.96 2kbr h ASP 28 CO -0.02 0.88 -0.00 0.58 -1.61 0.00 0.00 179.24 179.07 2kbr h VAL 29 N 0.21 1.27 -0.38 2.25 2.07 0.19 0.76 116.25 122.61 2kbr h VAL 29 Ca -0.01 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 2kbr h VAL 29 Cb 1.16 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 2kbr h VAL 29 CO 0.10 0.22 0.01 -0.07 0.02 0.00 0.00 177.57 177.86 2kbr h LEU 30 N -0.24 0.57 -0.22 2.57 3.38 -1.22 0.24 115.31 120.38 2kbr h LEU 30 Ca 0.01 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2kbr h LEU 30 Cb 0.36 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2kbr h LEU 30 CO 0.00 0.63 -0.09 0.03 0.09 0.00 0.00 178.44 179.10 2kbr h ARG 31 N 0.58 0.45 0.00 1.13 3.08 -1.20 -2.00 114.38 116.42 2kbr h ARG 31 Ca 0.12 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 2kbr h ARG 31 Cb 0.35 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2kbr h ARG 31 CO 0.01 0.72 -0.53 0.00 -1.07 0.00 0.00 179.97 179.10 2kbr h MET 32 N 0.16 0.00 -0.48 0.04 -0.00 -0.59 -3.02 114.93 111.04 2kbr h MET 32 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.63 2kbr h MET 32 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.16 2kbr h MET 32 CO 0.03 0.53 -0.17 -0.92 -0.00 0.00 0.00 176.91 176.37 2kbr h TYR 33 N 0.00 1.05 -0.04 -0.10 3.20 -0.40 -1.37 116.97 119.31 2kbr h TYR 33 Ca -0.01 -0.23 -0.07 0.00 3.14 0.00 0.00 58.73 61.56 2kbr h TYR 33 Cb 1.00 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 2kbr h TYR 33 CO 0.00 1.02 -0.29 1.25 -1.64 0.00 0.00 178.16 178.50 2kbr h HIS 34 N 0.82 0.08 0.07 -3.82 2.76 -1.24 0.98 115.15 114.79 2kbr h HIS 34 Ca 0.12 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2kbr h HIS 34 Cb 0.72 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.66 2kbr h HIS 34 CO 0.04 0.36 -0.03 1.96 -1.30 0.00 0.00 177.93 178.96 2kbr h GLN 35 N 0.07 -0.09 0.00 5.26 4.20 -1.42 -3.36 115.11 119.77 2kbr h GLN 35 Ca 0.01 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 2kbr h GLN 35 Cb 0.55 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 2kbr h GLN 35 CO 0.04 -0.06 -0.50 0.00 -0.67 0.00 0.00 178.83 177.64 2kbr h THR 36 N -0.82 1.12 -2.99 -0.54 1.03 -1.33 -3.47 112.91 105.92 2kbr h THR 36 Ca -0.01 -1.88 -0.34 0.00 -0.01 0.00 0.00 66.41 64.17 2kbr h THR 36 Cb 0.07 2.09 0.01 0.00 -1.07 0.00 0.00 68.15 69.25 2kbr h THR 36 CO 0.02 0.49 -0.46 0.80 -0.01 0.00 0.00 175.52 176.35 2kbr n MET 37 N -3.60 -2.50 -3.36 0.00 1.56 0.34 -4.96 117.12 104.61 2kbr n MET 37 Ca -0.00 0.79 -0.45 0.00 -0.27 0.00 0.00 57.70 57.77 2kbr n MET 37 Cb 0.59 -5.27 -0.06 0.00 2.15 0.00 0.00 33.22 30.62 2kbr n MET 37 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2kbr s ASP 38 N -2.46 6.13 0.42 6.12 2.15 -1.24 -4.92 116.67 122.87 2kbr s ASP 38 Ca 0.11 -1.66 0.14 0.00 0.43 0.00 0.00 52.55 51.56 2kbr s ASP 38 Cb -0.05 -2.18 0.91 0.00 -0.30 0.00 0.00 42.92 41.30 2kbr s ASP 38 CO 0.13 -0.78 1.94 -0.37 -0.17 0.00 0.00 175.17 175.92 2kbr h VAL 39 N 5.88 1.17 0.00 1.11 -1.51 -1.93 -2.02 116.25 118.96 2kbr h VAL 39 Ca -0.29 -0.83 -0.07 0.00 -1.23 0.00 0.00 66.70 64.28 2kbr h VAL 39 Cb 1.10 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 2kbr h VAL 39 CO 0.97 0.24 -0.34 0.00 -1.23 0.00 0.00 177.57 177.21 2kbr h ALA 40 N 1.76 1.11 0.04 5.19 0.00 -1.95 -2.25 119.26 123.15 2kbr h ALA 40 Ca -0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2kbr h ALA 40 Cb 0.43 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2kbr h ALA 40 CO 0.03 0.42 -0.28 0.28 0.00 0.00 0.00 179.25 179.70 2kbr h VAL 41 N 0.00 1.66 -0.85 0.00 2.07 -1.80 -3.01 116.25 114.33 2kbr h VAL 41 Ca -0.00 -2.31 0.02 0.00 0.82 0.00 0.00 66.70 65.23 2kbr h VAL 41 Cb 0.77 3.20 -0.04 0.00 -1.52 0.00 0.00 31.29 33.70 2kbr h VAL 41 CO 0.04 0.62 0.56 0.17 0.02 0.00 0.00 177.57 178.99 2kbr h LEU 42 N -0.71 0.96 -0.75 2.57 8.10 -1.44 -1.80 115.31 122.23 2kbr h LEU 42 Ca -0.05 -0.02 -0.05 0.00 0.11 0.00 0.00 57.88 57.87 2kbr h LEU 42 Cb 1.18 -0.23 -0.03 0.00 -0.44 0.00 0.00 40.66 41.13 2kbr h LEU 42 CO 0.05 0.68 0.26 0.58 -4.11 0.00 0.00 178.44 175.90 2kbr h VAL 43 N 1.13 1.26 0.26 0.15 2.07 -1.50 -0.92 116.25 118.69 2kbr h VAL 43 Ca 0.32 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2kbr h VAL 43 Cb -0.08 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2kbr h VAL 43 CO -0.08 0.35 -0.17 1.23 0.02 0.00 0.00 177.57 178.92 2kbr h GLY 44 N 1.10 -0.42 0.94 2.17 0.00 -1.19 -1.65 103.07 104.01 2kbr h GLY 44 Ca 0.24 0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.77 2kbr h GLY 44 CO -0.01 -0.17 0.30 -0.55 0.00 0.00 0.00 176.54 176.11 2kbr h ASP 45 N -0.41 0.50 -0.92 0.19 3.32 -1.34 -1.51 116.42 116.23 2kbr h ASP 45 Ca -0.02 -0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.22 2kbr h ASP 45 Cb 0.35 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.71 2kbr h ASP 45 CO 0.02 0.36 0.60 -0.07 -1.72 0.00 0.00 179.24 178.42 2kbr h LEU 46 N 0.61 0.52 0.01 1.55 3.38 -0.92 -0.74 115.31 119.73 2kbr h LEU 46 Ca 0.19 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2kbr h LEU 46 Cb -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2kbr h LEU 46 CO -0.07 0.21 -0.01 0.11 0.09 0.00 0.00 178.44 178.78 2kbr h LYS 47 N 0.52 -0.02 -0.32 1.13 1.57 -0.32 1.09 116.57 120.23 2kbr h LYS 47 Ca 0.49 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.36 2kbr h LYS 47 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 2kbr h LYS 47 CO -0.22 0.38 0.33 -0.07 -0.57 0.00 0.00 179.45 179.29 2kbr h LEU 48 N -0.42 0.00 0.00 2.94 3.38 -0.66 1.53 115.31 122.09 2kbr h LEU 48 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 2kbr h LEU 48 Cb 0.41 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2kbr h LEU 48 CO 0.00 0.00 -2.25 0.52 0.09 0.00 0.00 178.44 176.80 2kbr n VAL 49 N -3.83 1.10 -1.29 1.22 0.31 -0.67 -4.40 118.33 110.78 2kbr n VAL 49 Ca 0.05 -0.76 -0.04 0.00 -0.01 0.00 0.00 64.34 63.59 2kbr n VAL 49 Cb 0.48 -0.41 0.22 0.00 -0.91 0.00 0.00 33.84 33.23 2kbr n VAL 49 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2kbr n ILE 50 N -2.63 2.59 -0.14 2.52 -0.00 0.37 -4.69 119.36 117.38 2kbr n ILE 50 Ca -0.27 -2.38 0.28 0.00 -0.00 0.00 0.00 62.75 60.39 2kbr n ILE 50 Cb 1.03 -0.33 0.70 0.00 -0.00 0.00 0.00 39.64 41.05 2kbr n ILE 50 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.55 175.42 2kbr h ASN 51 N 1.29 0.00 -2.96 4.38 -0.73 0.20 -3.39 115.58 114.37 2kbr h ASN 51 Ca 0.22 0.00 -0.62 0.00 1.87 0.00 0.00 56.30 57.77 2kbr h ASN 51 Cb 1.79 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 40.33 2kbr h ASN 51 CO 0.46 0.00 -0.26 -1.61 -0.37 0.00 0.00 177.43 175.65 2kbr s GLU 52 N -4.75 3.84 0.61 6.67 2.02 -1.26 -4.97 118.70 120.86 2kbr s GLU 52 Ca -0.04 0.30 0.31 0.00 0.02 0.00 0.00 54.97 55.56 2kbr s GLU 52 Cb 0.19 -3.22 1.73 0.00 0.10 0.00 0.00 34.13 32.92 2kbr s GLU 52 CO 0.66 0.69 2.08 -1.35 0.02 0.00 0.00 175.26 177.36 2kbr h PRO 53 N 4.84 0.00 -0.75 0.39 0.11 -2.01 -1.66 132.00 132.92 2kbr h PRO 53 Ca -0.52 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.67 2kbr h PRO 53 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 2kbr h PRO 53 CO 0.61 0.00 0.49 0.66 -0.21 0.00 0.00 178.00 179.55 2kbr h SER 54 N 0.00 0.65 -0.28 -2.05 4.64 -1.93 0.81 113.55 115.38 2kbr h SER 54 Ca 0.07 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2kbr h SER 54 Cb 0.53 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2kbr h SER 54 CO -0.00 0.40 0.00 0.54 -0.87 0.00 0.00 176.83 176.90 2kbr n ARG 55 N -4.49 1.87 -0.23 4.77 1.74 -0.62 -4.42 116.66 115.27 2kbr n ARG 55 Ca 0.12 -1.11 0.01 0.00 -0.77 0.00 0.00 57.85 56.10 2kbr n ARG 55 Cb 0.27 -1.35 0.09 0.00 -1.02 0.00 0.00 32.46 30.46 2kbr n ARG 55 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2kbr h LEU 56 N 1.71 -0.54 -1.69 0.55 3.38 -0.94 -0.44 115.31 117.33 2kbr h LEU 56 Ca 0.00 0.20 0.43 0.00 0.09 0.00 0.00 57.88 58.59 2kbr h LEU 56 Cb 0.54 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 2kbr h LEU 56 CO 0.04 -0.21 1.22 -0.65 0.09 0.00 0.00 178.44 178.93 2kbr h PRO 57 N 0.03 0.00 -0.57 1.13 0.11 -1.82 0.44 132.00 131.32 2kbr h PRO 57 Ca 0.34 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.47 2kbr h PRO 57 Cb 0.55 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 2kbr h PRO 57 CO -0.68 0.00 0.38 1.25 -0.21 0.00 0.00 178.00 178.74 2kbr h LEU 58 N 0.00 0.61 -0.11 2.35 7.12 -1.43 0.94 115.31 124.79 2kbr h LEU 58 Ca 0.70 -0.01 -0.08 0.00 0.13 0.00 0.00 57.88 58.61 2kbr h LEU 58 Cb 3.13 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 43.12 2kbr h LEU 58 CO -0.01 0.43 -0.25 -0.26 -0.13 0.00 0.00 178.44 178.22 2kbr h PHE 59 N 0.72 0.48 0.00 1.25 -1.00 -0.29 -2.52 116.94 115.57 2kbr h PHE 59 Ca 0.22 -0.18 -0.10 0.00 2.81 0.00 0.00 57.97 60.72 2kbr h PHE 59 Cb 0.01 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 2kbr h PHE 59 CO -0.00 0.87 -0.48 0.22 -1.61 0.00 0.00 178.31 177.31 2kbr h ASP 60 N -0.05 0.00 -0.10 2.17 1.82 -1.52 -2.18 116.42 116.55 2kbr h ASP 60 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2kbr h ASP 60 Cb 0.85 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.86 2kbr h ASP 60 CO 0.06 0.48 -0.03 0.00 -1.61 0.00 0.00 179.24 178.13 2kbr h ALA 61 N 1.52 0.14 -0.03 -0.78 0.00 0.92 -3.26 119.26 117.78 2kbr h ALA 61 Ca -0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 2kbr h ALA 61 Cb 1.12 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kbr h ALA 61 CO 0.06 -0.12 -0.84 0.82 0.00 0.00 0.00 179.25 179.17 2kbr h ILE 62 N -0.12 1.42 -0.84 0.00 2.04 -1.48 -3.35 117.51 115.18 2kbr h ILE 62 Ca 0.03 -2.37 0.16 0.00 1.00 0.00 0.00 64.86 63.67 2kbr h ILE 62 Cb 0.45 2.32 -0.16 0.00 -0.74 0.00 0.00 36.82 38.69 2kbr h ILE 62 CO 0.01 0.71 -0.25 -0.09 0.00 0.00 0.00 178.15 178.53 2kbr h ARG 63 N 0.21 -0.02 -0.10 2.37 2.43 -1.43 -0.90 114.38 116.94 2kbr h ARG 63 Ca -0.05 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2kbr h ARG 63 Cb 1.45 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.96 2kbr h ARG 63 CO 0.14 -0.01 -0.23 -1.00 -1.51 0.00 0.00 179.97 177.36 2kbr h PRO 64 N -0.02 -0.29 0.00 0.20 0.13 -1.69 -0.48 132.00 129.85 2kbr h PRO 64 Ca 0.38 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.53 2kbr h PRO 64 Cb 0.61 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2kbr h PRO 64 CO -0.87 -0.20 0.00 1.47 -0.23 0.00 0.00 178.00 178.18 2kbr n LEU 65 N -5.36 0.00 -4.75 1.56 -0.00 -0.84 -4.74 117.00 102.86 2kbr n LEU 65 Ca -0.03 0.37 -0.40 0.00 -0.00 0.00 0.00 56.01 55.95 2kbr n LEU 65 Cb 0.27 -0.37 -0.05 0.00 -0.00 0.00 0.00 43.42 43.27 2kbr n LEU 65 CO 0.19 -0.12 0.44 -0.63 -0.00 0.00 0.00 177.39 177.28 2kbr s ILE 66 N -2.74 4.70 0.16 1.47 1.01 -0.19 -4.99 121.20 120.62 2kbr s ILE 66 Ca 0.16 1.58 -0.31 0.00 0.00 0.00 0.00 60.65 62.07 2kbr s ILE 66 Cb 0.14 -4.09 -0.17 0.00 0.01 0.00 0.00 42.46 38.35 2kbr s ILE 66 CO 0.34 0.40 0.75 -2.65 0.00 0.00 0.00 174.94 173.78 2kbr n PRO 67 N 2.58 0.22 -0.31 2.79 -0.02 -1.26 -4.53 135.00 134.47 2kbr n PRO 67 Ca -0.04 0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.63 2kbr n PRO 67 Cb 0.50 -1.27 0.28 0.00 -0.02 0.00 0.00 33.50 32.98 2kbr n PRO 67 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2kbr h LEU 68 N 1.79 0.47 -0.21 2.45 3.38 -1.91 0.97 115.31 122.25 2kbr h LEU 68 Ca -0.36 0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.57 2kbr h LEU 68 Cb 1.42 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2kbr h LEU 68 CO 0.60 0.12 -0.49 0.11 0.09 0.00 0.00 178.44 178.87 2kbr h LYS 69 N 0.54 0.71 0.00 1.13 1.57 -2.01 -2.94 116.57 115.56 2kbr h LYS 69 Ca 0.52 -0.48 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2kbr h LYS 69 Cb 0.88 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2kbr h LYS 69 CO -0.44 1.10 -0.20 0.45 -0.57 0.00 0.00 179.45 179.79 2kbr h HIS 70 N 0.42 0.00 0.04 -1.35 3.86 -1.27 -2.59 115.15 114.26 2kbr h HIS 70 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kbr h HIS 70 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2kbr h HIS 70 CO 0.09 0.20 -0.02 1.96 0.86 0.00 0.00 177.93 181.02 2kbr h GLN 71 N 0.00 -0.05 0.43 2.45 4.20 0.11 0.81 115.11 123.05 2kbr h GLN 71 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2kbr h GLN 71 Cb 0.44 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2kbr h GLN 71 CO 0.03 0.01 -0.21 0.28 -0.67 0.00 0.00 178.83 178.27 2kbr h VAL 72 N -0.10 0.58 -0.75 -0.54 2.07 -1.48 -1.10 116.25 114.92 2kbr h VAL 72 Ca -0.01 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.49 2kbr h VAL 72 Cb 0.09 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2kbr h VAL 72 CO 0.01 0.02 0.49 -0.08 0.02 0.00 0.00 177.57 178.03 2kbr h GLU 73 N -0.64 0.71 -0.37 1.57 4.22 -1.39 0.48 114.58 119.16 2kbr h GLU 73 Ca -0.06 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.34 2kbr h GLU 73 Cb 0.47 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2kbr h GLU 73 CO 0.10 0.47 0.23 -0.92 -2.18 0.00 0.00 179.01 176.71 2kbr h TYR 74 N 0.73 0.46 -0.10 0.92 5.03 0.12 -0.20 116.97 123.93 2kbr h TYR 74 Ca 0.34 0.01 -0.18 0.00 2.58 0.00 0.00 58.73 61.47 2kbr h TYR 74 Cb 0.36 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 38.48 2kbr h TYR 74 CO -0.00 0.30 -0.71 0.22 -1.32 0.00 0.00 178.16 176.65 2kbr h ASP 75 N 0.50 0.53 -0.05 -2.11 3.58 0.12 -2.24 116.42 116.75 2kbr h ASP 75 Ca 0.13 -0.34 -0.07 0.00 0.42 0.00 0.00 57.03 57.17 2kbr h ASP 75 Cb -0.04 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2kbr h ASP 75 CO -0.03 1.08 -0.17 1.56 -2.88 0.00 0.00 179.24 178.80 2kbr h GLN 76 N 0.32 0.41 0.01 0.28 1.08 0.51 -3.00 115.11 114.71 2kbr h GLN 76 Ca -0.03 -0.12 -0.22 0.00 -1.45 0.00 0.00 58.65 56.83 2kbr h GLN 76 Cb 1.28 -0.04 0.02 0.00 -0.05 0.00 0.00 27.48 28.69 2kbr h GLN 76 CO 0.13 0.57 -0.88 -0.07 -0.95 0.00 0.00 178.83 177.62 2kbr h LEU 77 N 0.37 0.76 -8.99 1.46 3.38 -1.12 -3.43 115.31 107.75 2kbr h LEU 77 Ca 0.07 -0.75 -0.58 0.00 0.09 0.00 0.00 57.88 56.70 2kbr h LEU 77 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2kbr h LEU 77 CO 0.03 1.42 1.39 0.42 0.09 0.00 0.00 178.44 181.79 2kbr s THR 78 N -3.25 3.18 0.80 0.22 -4.23 -0.85 -4.97 115.64 106.54 2kbr s THR 78 Ca -0.11 0.19 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 2kbr s THR 78 Cb 0.05 -3.23 0.07 0.00 1.34 0.00 0.00 72.50 70.74 2kbr s THR 78 CO 0.88 -0.13 1.10 -2.16 -0.54 0.00 0.00 174.62 173.77 2kbr s PRO 79 N 5.90 2.05 0.00 3.99 0.04 -1.26 -4.93 135.00 140.79 2kbr s PRO 79 Ca 0.92 0.57 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2kbr s PRO 79 Cb -0.30 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2kbr s PRO 79 CO 0.35 -1.63 0.00 2.89 0.04 0.00 0.00 177.00 178.65