#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 5.29 0.00 6.12 9.92 -1.26 -4.25 116.55 132.37 2kbr n ASP 2 Ca 0.00 -3.07 0.00 0.00 -0.53 0.00 0.00 54.79 51.19 2kbr n ASP 2 Cb 0.00 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 38.98 2kbr n ASP 2 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2kbr n ARG 3 N 4.36 0.00 0.00 -1.24 0.00 -1.26 -4.90 116.66 113.63 2kbr n ARG 3 Ca 0.36 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 58.27 2kbr n ARG 3 Cb 0.39 -0.10 0.45 0.00 0.00 0.00 0.00 32.46 33.20 2kbr n ARG 3 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2kbr h LYS 4 N 0.00 0.48 -0.96 -0.14 1.79 -2.00 -1.39 116.57 114.35 2kbr h LYS 4 Ca 0.00 -0.03 0.17 0.00 -2.18 0.00 0.00 60.65 58.61 2kbr h LYS 4 Cb 0.00 -0.11 -0.09 0.00 -1.58 0.00 0.00 32.23 30.45 2kbr h LYS 4 CO 0.00 0.32 0.61 0.28 -1.08 0.00 0.00 179.45 179.58 2kbr h VAL 5 N 0.50 0.77 -0.13 0.50 2.07 -1.90 0.29 116.25 118.34 2kbr h VAL 5 Ca 0.16 -0.25 -0.19 0.00 0.82 0.00 0.00 66.70 67.25 2kbr h VAL 5 Cb 0.05 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 2kbr h VAL 5 CO -0.04 0.13 -0.69 0.00 0.02 0.00 0.00 177.57 177.00 2kbr h ALA 6 N 1.61 0.54 -0.46 1.67 0.00 -1.62 -1.59 119.26 119.41 2kbr h ALA 6 Ca 0.51 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2kbr h ALA 6 Cb 0.84 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2kbr h ALA 6 CO -0.28 0.72 -0.18 0.00 0.00 0.00 0.00 179.25 179.51 2kbr h ARG 7 N 0.40 0.91 -0.01 0.00 3.08 -0.56 0.16 114.38 118.35 2kbr h ARG 7 Ca -0.02 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 2kbr h ARG 7 Cb 1.27 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2kbr h ARG 7 CO 0.13 1.01 -0.03 0.93 -1.07 0.00 0.00 179.97 180.94 2kbr h GLU 8 N 0.80 0.04 -0.84 0.04 4.39 -0.56 0.41 114.58 118.86 2kbr h GLU 8 Ca 0.11 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2kbr h GLU 8 Cb 0.72 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.34 2kbr h GLU 8 CO 0.06 0.63 0.43 0.35 -1.16 0.00 0.00 179.01 179.31 2kbr h PHE 9 N -0.53 1.18 -0.06 4.33 3.57 -1.29 0.28 116.94 124.42 2kbr h PHE 9 Ca -0.00 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 2kbr h PHE 9 Cb 0.63 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2kbr h PHE 9 CO 0.13 0.84 -0.27 0.00 -2.23 0.00 0.00 178.31 176.78 2kbr h ARG 10 N 1.19 0.28 -0.62 1.11 3.08 -0.71 -2.41 114.38 116.30 2kbr h ARG 10 Ca 0.29 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2kbr h ARG 10 Cb 0.08 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2kbr h ARG 10 CO -0.04 0.88 0.32 1.25 -1.07 0.00 0.00 179.97 181.30 2kbr h HIS 11 N -0.24 0.87 0.66 3.04 2.76 0.01 -0.88 115.15 121.38 2kbr h HIS 11 Ca -0.02 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.09 2kbr h HIS 11 Cb 0.92 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.61 2kbr h HIS 11 CO 0.13 0.65 -0.33 0.87 -1.30 0.00 0.00 177.93 177.95 2kbr h LYS 12 N 0.85 -0.87 -0.91 5.26 1.79 -0.50 0.15 116.57 122.34 2kbr h LYS 12 Ca 0.22 0.06 0.16 0.00 -2.18 0.00 0.00 60.65 58.90 2kbr h LYS 12 Cb 0.09 0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 30.86 2kbr h LYS 12 CO -0.03 -0.58 0.58 0.28 -1.08 0.00 0.00 179.45 178.62 2kbr h VAL 13 N -0.91 0.80 0.00 0.50 2.07 -1.33 0.27 116.25 117.65 2kbr h VAL 13 Ca -0.09 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 2kbr h VAL 13 Cb 0.70 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2kbr h VAL 13 CO 0.14 0.12 -0.52 -0.78 0.02 0.00 0.00 177.57 176.55 2kbr h ASP 14 N 0.66 0.00 0.23 0.57 1.82 -0.72 0.15 116.42 119.13 2kbr h ASP 14 Ca 0.47 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.99 2kbr h ASP 14 Cb 0.80 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 2kbr h ASP 14 CO -0.22 0.52 -0.45 0.15 -1.61 0.00 0.00 179.24 177.63 2kbr h PHE 15 N 0.00 0.32 0.09 0.28 3.57 0.24 0.36 116.94 121.81 2kbr h PHE 15 Ca -0.01 -0.10 -0.32 0.00 3.53 0.00 0.00 57.97 61.08 2kbr h PHE 15 Cb 1.04 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2kbr h PHE 15 CO 0.00 0.68 -1.73 -0.07 -2.23 0.00 0.00 178.31 174.96 2kbr h LEU 16 N 0.22 0.30 0.00 0.59 3.38 -1.24 -3.43 115.31 115.14 2kbr h LEU 16 Ca 0.02 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.17 2kbr h LEU 16 Cb 0.88 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2kbr h LEU 16 CO 0.07 1.73 -0.32 -0.38 0.09 0.00 0.00 178.44 179.63 2kbr n ILE 17 N -3.80 0.73 -0.73 1.22 -0.00 0.50 -4.89 119.36 112.38 2kbr n ILE 17 Ca -0.31 0.35 0.00 0.00 -0.00 0.00 0.00 62.75 62.78 2kbr n ILE 17 Cb 0.93 -1.95 0.00 0.00 -0.00 0.00 0.00 39.64 38.62 2kbr n ILE 17 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2kbr n GLU 18 N -3.47 -0.23 -0.40 0.38 0.28 0.13 -4.94 120.64 112.39 2kbr n GLU 18 Ca -0.05 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2kbr n GLU 18 Cb 0.17 -3.89 0.00 0.00 1.43 0.00 0.00 31.44 29.15 2kbr n GLU 18 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kbr n ASN 19 N -0.12 0.00 0.03 -1.84 2.85 -1.26 -5.07 115.26 109.86 2kbr n ASN 19 Ca 0.00 -0.78 0.00 0.00 -0.11 0.00 0.00 54.58 53.69 2kbr n ASN 19 Cb 0.06 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.08 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 -2.34 0.55 -0.30 1.20 9.92 -1.26 -4.52 116.55 119.80 2kbr n ASP 20 Ca 0.00 0.10 0.05 0.00 -0.53 0.00 0.00 54.79 54.41 2kbr n ASP 20 Cb 0.00 -0.14 0.19 0.00 -0.64 0.00 0.00 41.12 40.53 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 1.25 -0.36 2.24 0.00 -1.99 0.81 119.26 121.20 2kbr h ALA 21 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2kbr h ALA 21 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2kbr h ALA 21 CO 0.00 0.06 0.04 0.93 0.00 0.00 0.00 179.25 180.28 2kbr h GLU 22 N 0.77 0.61 -0.36 0.00 3.07 -2.00 -2.34 114.58 114.33 2kbr h GLU 22 Ca 0.43 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 59.08 2kbr h GLU 22 Cb 0.46 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 2kbr h GLU 22 CO -0.28 0.69 0.08 -0.22 -1.40 0.00 0.00 179.01 177.88 2kbr h LYS 23 N 0.45 0.53 0.06 2.33 3.64 -1.55 0.24 116.57 122.27 2kbr h LYS 23 Ca 0.11 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2kbr h LYS 23 Cb 0.39 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2kbr h LYS 23 CO 0.01 0.50 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.22 2kbr h ASP 24 N 0.52 -0.07 -0.19 4.20 3.32 -0.56 0.46 116.42 124.10 2kbr h ASP 24 Ca 0.12 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2kbr h ASP 24 Cb 0.22 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2kbr h ASP 24 CO -0.00 0.03 -0.04 0.22 -1.72 0.00 0.00 179.24 177.73 2kbr h TYR 25 N -0.15 0.41 -0.84 4.55 3.20 -1.05 -0.24 116.97 122.85 2kbr h TYR 25 Ca -0.01 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 61.83 2kbr h TYR 25 Cb 0.13 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 2kbr h TYR 25 CO -0.05 0.61 0.52 1.25 -1.64 0.00 0.00 178.16 178.86 2kbr h LEU 26 N 0.09 0.83 -1.53 2.82 6.46 -0.45 0.87 115.31 124.39 2kbr h LEU 26 Ca 0.05 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2kbr h LEU 26 Cb 0.48 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 2kbr h LEU 26 CO 0.02 0.54 0.18 1.88 -0.62 0.00 0.00 178.44 180.44 2kbr h TYR 27 N 0.97 0.49 -0.07 1.25 0.05 0.14 -0.36 116.97 119.43 2kbr h TYR 27 Ca 0.36 -0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.98 2kbr h TYR 27 Cb 0.14 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2kbr h TYR 27 CO -0.03 0.36 -0.64 0.22 -1.05 0.00 0.00 178.16 177.01 2kbr h ASP 28 N 0.51 0.32 0.36 3.88 3.58 0.20 -2.11 116.42 123.16 2kbr h ASP 28 Ca 0.13 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2kbr h ASP 28 Cb 0.04 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2kbr h ASP 28 CO -0.02 0.88 -0.17 0.58 -2.88 0.00 0.00 179.24 177.62 2kbr h VAL 29 N 0.20 0.65 -0.95 2.25 2.07 0.21 -1.70 116.25 118.98 2kbr h VAL 29 Ca -0.01 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.16 2kbr h VAL 29 Cb 1.16 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2kbr h VAL 29 CO 0.10 0.07 0.62 -0.07 0.02 0.00 0.00 177.57 178.32 2kbr h LEU 30 N -0.69 1.06 -1.00 2.57 4.07 -1.36 0.01 115.31 119.97 2kbr h LEU 30 Ca -0.05 -0.02 0.07 0.00 0.08 0.00 0.00 57.88 57.96 2kbr h LEU 30 Cb 0.49 -0.26 -0.07 0.00 1.08 0.00 0.00 40.66 41.90 2kbr h LEU 30 CO 0.08 0.75 0.65 -0.09 -1.08 0.00 0.00 178.44 178.75 2kbr h ARG 31 N 1.24 1.13 -0.10 1.13 9.65 -1.24 0.02 114.38 126.21 2kbr h ARG 31 Ca 0.36 -0.07 -0.14 0.00 -1.10 0.00 0.00 59.98 59.04 2kbr h ARG 31 Cb -0.08 -0.25 0.01 0.00 -1.39 0.00 0.00 29.97 28.25 2kbr h ARG 31 CO -0.09 0.75 -0.46 0.52 2.80 0.00 0.00 179.97 183.48 2kbr h MET 32 N 1.16 0.50 0.00 0.20 2.86 -0.33 -2.88 114.93 116.44 2kbr h MET 32 Ca 0.44 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2kbr h MET 32 Cb 0.19 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2kbr h MET 32 CO -0.18 1.03 0.00 -0.92 1.06 0.00 0.00 176.91 177.90 2kbr h TYR 33 N 0.09 0.00 0.18 -0.22 3.20 -0.39 -1.19 116.97 118.65 2kbr h TYR 33 Ca -0.03 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.50 2kbr h TYR 33 Cb 1.10 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.38 2kbr h TYR 33 CO 0.11 0.00 -1.70 1.25 -1.64 0.00 0.00 178.16 176.18 2kbr h HIS 34 N 0.00 0.70 0.06 -3.82 2.76 -0.87 -2.77 115.15 111.22 2kbr h HIS 34 Ca 0.00 -0.51 -0.00 0.00 -2.20 0.00 0.00 60.37 57.65 2kbr h HIS 34 Cb 0.08 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.01 2kbr h HIS 34 CO 0.00 1.66 -0.03 0.37 -1.30 0.00 0.00 177.93 178.63 2kbr h GLN 35 N 0.06 -0.08 0.00 5.26 5.75 -1.20 -3.38 115.11 121.52 2kbr h GLN 35 Ca -0.34 0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.02 2kbr h GLN 35 Cb 2.06 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 30.61 2kbr h GLN 35 CO 0.17 -0.05 -0.71 0.00 -2.65 0.00 0.00 178.83 175.59 2kbr h THR 36 N -0.79 1.35 -3.63 2.39 1.03 -1.48 -3.48 112.91 108.31 2kbr h THR 36 Ca -0.01 -2.56 -0.21 0.00 -0.01 0.00 0.00 66.41 63.62 2kbr h THR 36 Cb 0.06 2.44 0.08 0.00 -1.07 0.00 0.00 68.15 69.67 2kbr h THR 36 CO 0.01 0.69 -0.37 0.23 -0.01 0.00 0.00 175.52 176.08 2kbr n MET 37 N -3.47 -4.16 -3.56 0.00 2.81 -1.04 -5.00 117.12 102.70 2kbr n MET 37 Ca 0.00 0.44 -0.41 0.00 -1.81 0.00 0.00 57.70 55.93 2kbr n MET 37 Cb 0.75 -4.30 -0.11 0.00 -0.71 0.00 0.00 33.22 28.85 2kbr n MET 37 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2kbr s ASP 38 N -3.24 5.87 0.30 7.83 1.47 -1.26 -4.94 116.67 122.70 2kbr s ASP 38 Ca 0.27 -0.73 0.18 0.00 1.18 0.00 0.00 52.55 53.45 2kbr s ASP 38 Cb -0.12 -2.08 0.12 0.00 -0.34 0.00 0.00 42.92 40.49 2kbr s ASP 38 CO 0.39 -0.32 1.40 0.58 0.68 0.00 0.00 175.17 177.89 2kbr h VAL 39 N 5.67 0.53 0.00 2.11 2.07 -1.94 -3.05 116.25 121.64 2kbr h VAL 39 Ca -0.29 -1.78 -0.14 0.00 0.82 0.00 0.00 66.70 65.31 2kbr h VAL 39 Cb 1.13 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 2kbr h VAL 39 CO 0.66 0.30 -0.69 0.00 0.02 0.00 0.00 177.57 177.87 2kbr h ALA 40 N 1.66 0.84 0.14 1.67 0.00 -2.00 -2.36 119.26 119.21 2kbr h ALA 40 Ca -0.02 -0.62 -0.23 0.00 0.00 0.00 0.00 54.91 54.04 2kbr h ALA 40 Cb 1.27 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.98 2kbr h ALA 40 CO 0.04 0.86 -0.98 0.28 0.00 0.00 0.00 179.25 179.45 2kbr h VAL 41 N 0.00 1.42 -0.74 0.00 2.07 -1.98 -3.03 116.25 113.99 2kbr h VAL 41 Ca -0.01 -2.49 -0.05 0.00 0.82 0.00 0.00 66.70 64.97 2kbr h VAL 41 Cb 1.24 3.01 -0.03 0.00 -1.52 0.00 0.00 31.29 33.98 2kbr h VAL 41 CO 0.09 0.72 0.27 0.17 0.02 0.00 0.00 177.57 178.85 2kbr h LEU 42 N -0.13 1.03 -0.63 2.57 8.10 -1.56 -2.18 115.31 122.50 2kbr h LEU 42 Ca -0.16 -0.19 -0.00 0.00 0.11 0.00 0.00 57.88 57.64 2kbr h LEU 42 Cb 1.74 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 41.66 2kbr h LEU 42 CO 0.19 0.94 0.39 0.58 -4.11 0.00 0.00 178.44 176.42 2kbr h VAL 43 N 1.07 1.18 -0.31 0.15 2.07 -1.52 -0.48 116.25 118.41 2kbr h VAL 43 Ca 0.24 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.38 2kbr h VAL 43 Cb 0.24 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2kbr h VAL 43 CO -0.02 0.19 0.19 1.23 0.02 0.00 0.00 177.57 179.18 2kbr h GLY 44 N 0.86 0.43 0.91 2.17 0.00 -1.35 -2.02 103.07 104.08 2kbr h GLY 44 Ca 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2kbr h GLY 44 CO -0.04 0.14 0.01 -0.55 0.00 0.00 0.00 176.54 176.10 2kbr h ASP 45 N 0.39 0.03 -1.00 0.19 3.32 -1.11 -1.87 116.42 116.37 2kbr h ASP 45 Ca 0.12 -0.10 0.22 0.00 0.02 0.00 0.00 57.03 57.29 2kbr h ASP 45 Cb -0.02 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.42 2kbr h ASP 45 CO -0.04 0.12 0.62 -0.07 -1.72 0.00 0.00 179.24 178.15 2kbr h LEU 46 N -0.05 0.61 -0.02 1.55 3.38 -0.90 -0.01 115.31 119.87 2kbr h LEU 46 Ca 0.01 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2kbr h LEU 46 Cb 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2kbr h LEU 46 CO -0.00 0.18 -0.00 0.11 0.09 0.00 0.00 178.44 178.82 2kbr h LYS 47 N 0.58 0.03 -0.54 1.13 1.57 -0.91 1.06 116.57 119.49 2kbr h LYS 47 Ca 0.57 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.49 2kbr h LYS 47 Cb 1.15 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 2kbr h LYS 47 CO -0.33 0.40 0.51 -0.07 -0.57 0.00 0.00 179.45 179.38 2kbr h LEU 48 N -0.34 0.00 0.00 2.94 3.38 -0.23 1.68 115.31 122.74 2kbr h LEU 48 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 2kbr h LEU 48 Cb 0.39 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2kbr h LEU 48 CO 0.00 0.00 -2.16 0.52 0.09 0.00 0.00 178.44 176.89 2kbr n VAL 49 N -3.85 1.11 -1.14 1.22 0.31 -0.64 -4.27 118.33 111.07 2kbr n VAL 49 Ca 0.10 -0.77 -0.05 0.00 -0.01 0.00 0.00 64.34 63.62 2kbr n VAL 49 Cb 0.72 -0.44 0.26 0.00 -0.91 0.00 0.00 33.84 33.47 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 -2.69 2.76 -0.28 2.52 5.41 0.36 -4.64 119.36 122.80 2kbr n ILE 50 Ca -0.24 -1.94 0.34 0.00 1.00 0.00 0.00 62.75 61.91 2kbr n ILE 50 Cb 1.00 -0.34 0.73 0.00 -0.71 0.00 0.00 39.64 40.32 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 2.00 0.00 -2.76 4.38 -0.73 0.21 -3.40 115.58 115.28 2kbr h ASN 51 Ca 0.24 0.00 -0.56 0.00 1.87 0.00 0.00 56.30 57.85 2kbr h ASN 51 Cb 2.08 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 40.65 2kbr h ASN 51 CO 0.61 0.00 -0.43 -1.61 -0.37 0.00 0.00 177.43 175.62 2kbr s GLU 52 N -4.85 3.47 0.59 6.67 8.01 -1.26 -5.00 118.70 126.34 2kbr s GLU 52 Ca -0.05 -0.46 0.38 0.00 0.01 0.00 0.00 54.97 54.85 2kbr s GLU 52 Cb 0.21 -2.95 1.77 0.00 -4.31 0.00 0.00 34.13 28.86 2kbr s GLU 52 CO 0.75 0.51 2.13 -1.00 0.01 0.00 0.00 175.26 177.66 2kbr h PRO 53 N 2.40 0.00 -0.66 0.39 0.13 -2.00 -2.89 132.00 129.37 2kbr h PRO 53 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2kbr h PRO 53 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2kbr h PRO 53 CO 0.71 0.00 0.26 1.03 -0.23 0.00 0.00 178.00 179.78 2kbr h SER 54 N 0.00 0.88 -0.28 1.44 0.87 -1.94 -1.83 113.55 112.69 2kbr h SER 54 Ca -0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2kbr h SER 54 Cb 0.32 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2kbr h SER 54 CO 0.00 0.79 0.00 0.54 -0.53 0.00 0.00 176.83 177.63 2kbr n ARG 55 N -4.31 1.88 -0.03 2.24 1.74 -1.09 -4.40 116.66 112.69 2kbr n ARG 55 Ca 0.06 -1.11 -0.09 0.00 -0.77 0.00 0.00 57.85 55.94 2kbr n ARG 55 Cb 0.17 -1.36 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 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 1.69 -0.84 -1.52 0.55 3.38 -1.43 -2.11 115.31 115.02 2kbr h LEU 56 Ca 0.00 0.14 0.44 0.00 0.09 0.00 0.00 57.88 58.55 2kbr h LEU 56 Cb 0.56 0.38 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 2kbr h LEU 56 CO 0.05 -0.30 1.26 -2.65 0.09 0.00 0.00 178.44 176.88 2kbr n PRO 57 N -5.39 0.00 0.02 1.13 -0.01 -1.26 -0.83 135.00 128.66 2kbr n PRO 57 Ca -0.02 0.99 -0.10 0.00 -0.01 0.00 0.00 63.50 64.36 2kbr n PRO 57 Cb 0.30 -2.34 -0.04 0.00 -0.01 0.00 0.00 33.50 31.41 2kbr n PRO 57 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 2kbr h LEU 58 N 0.00 -0.66 -0.87 2.45 6.46 -1.73 0.19 115.31 121.15 2kbr h LEU 58 Ca 0.72 0.10 0.17 0.00 -0.12 0.00 0.00 57.88 58.76 2kbr h LEU 58 Cb 3.24 0.29 -0.10 0.00 -0.73 0.00 0.00 40.66 43.36 2kbr h LEU 58 CO -0.01 -0.27 0.43 -0.26 -0.62 0.00 0.00 178.44 177.71 2kbr h PHE 59 N -0.30 0.75 0.00 1.25 0.04 -1.19 0.40 116.94 117.89 2kbr h PHE 59 Ca 0.09 0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.78 2kbr h PHE 59 Cb 0.42 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 2kbr h PHE 59 CO -0.30 0.12 -0.54 -0.44 -0.60 0.00 0.00 178.31 176.55 2kbr h ASP 60 N 0.56 0.00 -0.51 2.17 5.19 -1.45 -2.33 116.42 120.05 2kbr h ASP 60 Ca 0.50 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.78 2kbr h ASP 60 Cb 0.78 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 2kbr h ASP 60 CO -0.41 0.54 -0.17 0.00 -3.12 0.00 0.00 179.24 176.08 2kbr h ALA 61 N 1.46 0.70 -0.02 3.45 0.00 0.28 -3.18 119.26 121.95 2kbr h ALA 61 Ca -0.01 -0.37 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 2kbr h ALA 61 Cb 0.99 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kbr h ALA 61 CO 0.07 0.66 -0.88 0.82 0.00 0.00 0.00 179.25 179.92 2kbr h ILE 62 N 0.87 1.40 -0.74 0.00 1.08 -0.92 -3.35 117.51 115.86 2kbr h ILE 62 Ca 0.12 -2.37 0.12 0.00 -0.39 0.00 0.00 64.86 62.34 2kbr h ILE 62 Cb 0.75 2.33 -0.13 0.00 -3.07 0.00 0.00 36.82 36.70 2kbr h ILE 62 CO 0.06 0.71 -0.35 -0.09 -0.69 0.00 0.00 178.15 177.78 2kbr h ARG 63 N 0.24 -0.10 -0.68 2.37 2.43 -1.40 -0.20 114.38 117.04 2kbr h ARG 63 Ca -0.06 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.23 2kbr h ARG 63 Cb 1.50 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.94 2kbr h ARG 63 CO 0.15 -0.07 -0.35 -1.35 -1.51 0.00 0.00 179.97 176.85 2kbr h PRO 64 N -0.10 -0.12 0.00 0.20 0.11 -1.69 0.69 132.00 131.08 2kbr h PRO 64 Ca 0.27 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.29 2kbr h PRO 64 Cb 0.57 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2kbr h PRO 64 CO -0.79 -0.08 -0.46 1.37 -0.21 0.00 0.00 178.00 177.83 2kbr h LEU 65 N -0.12 0.00 -9.67 2.35 -0.00 -1.64 -3.45 115.31 102.78 2kbr h LEU 65 Ca 0.26 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.61 2kbr h LEU 65 Cb 0.56 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.26 2kbr h LEU 65 CO -0.75 0.46 0.75 -0.63 -0.00 0.00 0.00 178.44 178.28 2kbr s ILE 66 N -3.40 2.88 0.29 0.15 1.01 0.23 -4.93 121.20 117.44 2kbr s ILE 66 Ca 0.01 0.69 -0.28 0.00 0.00 0.00 0.00 60.65 61.07 2kbr s ILE 66 Cb 0.10 -3.44 -0.14 0.00 0.01 0.00 0.00 42.46 38.99 2kbr s ILE 66 CO 0.71 0.09 1.03 -2.65 0.00 0.00 0.00 174.94 174.12 2kbr n PRO 67 N 3.00 1.40 -0.32 2.79 -0.02 -1.26 -4.62 135.00 135.97 2kbr n PRO 67 Ca 0.09 0.49 0.18 0.00 -2.02 0.00 0.00 63.50 62.24 2kbr n PRO 67 Cb 0.41 -1.88 0.43 0.00 -0.02 0.00 0.00 33.50 32.44 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 2.05 0.59 -0.09 2.45 3.38 -1.91 0.93 115.31 122.71 2kbr h LEU 68 Ca -0.40 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.55 2kbr h LEU 68 Cb 1.34 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2kbr h LEU 68 CO 0.61 0.17 -0.37 0.11 0.09 0.00 0.00 178.44 179.04 2kbr h LYS 69 N 0.55 0.41 0.00 1.13 1.57 -2.01 -3.04 116.57 115.17 2kbr h LYS 69 Ca 0.57 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2kbr h LYS 69 Cb 1.20 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 2kbr h LYS 69 CO -0.33 0.96 -0.15 0.45 -0.57 0.00 0.00 179.45 179.80 2kbr h HIS 70 N -0.05 0.00 -0.56 -1.35 3.86 -1.23 -2.09 115.15 113.72 2kbr h HIS 70 Ca -0.02 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 2kbr h HIS 70 Cb 1.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.46 2kbr h HIS 70 CO 0.12 0.15 0.23 1.96 0.86 0.00 0.00 177.93 181.26 2kbr h GLN 71 N 0.00 0.83 0.74 2.45 4.20 0.88 0.84 115.11 125.06 2kbr h GLN 71 Ca -0.00 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 2kbr h GLN 71 Cb 0.31 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 27.96 2kbr h GLN 71 CO 0.02 0.72 -0.36 0.28 -0.67 0.00 0.00 178.83 178.82 2kbr h VAL 72 N 0.77 0.16 -0.64 -0.54 2.07 -1.29 -0.70 116.25 116.09 2kbr h VAL 72 Ca 0.19 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.60 2kbr h VAL 72 Cb 0.19 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 2kbr h VAL 72 CO -0.02 0.01 0.42 -0.08 0.02 0.00 0.00 177.57 177.93 2kbr h GLU 73 N -1.14 0.58 -0.38 1.57 4.81 -1.41 0.44 114.58 119.05 2kbr h GLU 73 Ca -0.10 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2kbr h GLU 73 Cb 0.78 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2kbr h GLU 73 CO 0.17 0.39 0.25 -0.92 -0.73 0.00 0.00 179.01 178.16 2kbr h TYR 74 N 0.60 0.45 -0.05 0.92 3.20 0.10 0.24 116.97 122.43 2kbr h TYR 74 Ca 0.28 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 62.00 2kbr h TYR 74 Cb 0.32 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2kbr h TYR 74 CO -0.00 0.28 -0.68 -0.44 -1.64 0.00 0.00 178.16 175.68 2kbr h ASP 75 N 0.48 0.29 -0.13 -2.11 3.32 0.14 -1.83 116.42 116.58 2kbr h ASP 75 Ca 0.14 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 2kbr h ASP 75 Cb -0.01 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2kbr h ASP 75 CO -0.03 0.88 -0.12 1.56 -1.72 0.00 0.00 179.24 179.81 2kbr h GLN 76 N 0.17 0.48 0.16 3.56 1.08 0.03 -2.89 115.11 117.69 2kbr h GLN 76 Ca -0.02 -0.13 -0.29 0.00 -1.45 0.00 0.00 58.65 56.76 2kbr h GLN 76 Cb 1.22 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.61 2kbr h GLN 76 CO 0.11 0.59 -1.29 -0.07 -0.95 0.00 0.00 178.83 177.22 2kbr h LEU 77 N 0.44 0.51-10.23 1.46 3.38 -1.24 -3.46 115.31 106.18 2kbr h LEU 77 Ca 0.08 -0.55 -0.49 0.00 0.09 0.00 0.00 57.88 57.01 2kbr h LEU 77 Cb 0.47 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.08 2kbr h LEU 77 CO 0.03 1.43 0.27 0.42 0.09 0.00 0.00 178.44 180.68 2kbr s THR 78 N -2.64 4.69 0.64 0.22 -4.23 -0.70 -5.03 115.64 108.59 2kbr s THR 78 Ca -0.05 0.84 -0.18 0.00 -1.18 0.00 0.00 61.69 61.12 2kbr s THR 78 Cb 0.06 -3.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 2kbr s THR 78 CO 0.90 -0.75 1.29 -2.16 -0.54 0.00 0.00 174.62 173.36 2kbr s PRO 79 N -4.30 2.58 0.00 3.99 0.04 -1.26 -4.84 135.00 131.21 2kbr s PRO 79 Ca 0.54 2.04 0.23 0.00 0.04 0.00 0.00 61.00 63.85 2kbr s PRO 79 Cb -0.10 -1.85 1.34 0.00 0.04 0.00 0.00 34.50 33.93 2kbr s PRO 79 CO 0.37 -1.57 1.72 0.54 0.04 0.00 0.00 177.00 178.10