#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbz n ARG 40 N 0.00 0.00 -0.23 3.69 0.63 -1.26 -4.80 116.66 114.69 2kbz n ARG 40 Ca 0.00 0.41 0.01 0.00 -0.92 0.00 0.00 57.85 57.35 2kbz n ARG 40 Cb 0.00 -0.49 0.13 0.00 0.45 0.00 0.00 32.46 32.55 2kbz n ARG 40 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2kbz h VAL 41 N 0.00 0.77 0.00 5.15 2.07 -2.08 -2.03 116.25 120.13 2kbz h VAL 41 Ca 0.00 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 2kbz h VAL 41 Cb 0.00 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2kbz h VAL 41 CO 0.00 0.09 -0.27 0.07 0.02 0.00 0.00 177.57 177.48 2kbz h LYS 42 N 0.47 0.00 0.00 1.57 -0.00 -2.01 -3.33 116.57 113.28 2kbz h LYS 42 Ca 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.98 2kbz h LYS 42 Cb 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.65 2kbz h LYS 42 CO -0.31 0.27 -0.03 -0.09 -0.00 0.00 0.00 179.45 179.28 2kbz h ARG 43 N 0.00 0.00 -0.40 0.07 2.43 -1.67 0.46 114.38 115.26 2kbz h ARG 43 Ca -0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 2kbz h ARG 43 Cb 0.64 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2kbz h ARG 43 CO 0.03 0.03 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.16 2kbz h LEU 44 N 0.00 0.91 0.00 3.80 -0.00 -1.71 -3.32 115.31 114.99 2kbz h LEU 44 Ca -0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 2kbz h LEU 44 Cb 0.07 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.47 2kbz h LEU 44 CO 0.00 1.13 -1.49 0.00 -0.00 0.00 0.00 178.44 178.08 2kbz n LEU 45 N -4.08 0.08 0.09 1.67 -0.00 -1.09 -3.14 117.00 110.52 2kbz n LEU 45 Ca -0.01 -0.06 0.13 0.00 -0.00 0.00 0.00 56.01 56.07 2kbz n LEU 45 Cb 0.49 0.00 0.45 0.00 -0.00 0.00 0.00 43.42 44.36 2kbz n LEU 45 CO 0.47 0.02 0.89 -1.20 -0.00 0.00 0.00 177.39 177.56 2kbz n SER 46 N -1.89 0.60 0.03 1.45 7.64 0.16 -1.53 113.62 120.08 2kbz n SER 46 Ca -0.02 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2kbz n SER 46 Cb 0.33 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2kbz n SER 46 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2kbz n ILE 47 N -2.08 0.39 -3.27 0.44 5.41 -1.25 -4.69 119.36 114.31 2kbz n ILE 47 Ca 0.05 0.13 -0.43 0.00 1.00 0.00 0.00 62.75 63.50 2kbz n ILE 47 Cb 0.36 -1.30 -0.01 0.00 -0.71 0.00 0.00 39.64 37.98 2kbz n ILE 47 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2kbz n THR 48 N -3.14 4.56 0.00 1.39 -2.24 -1.19 -1.83 114.28 111.84 2kbz n THR 48 Ca 0.00 -5.53 0.00 0.00 -2.27 0.00 0.00 64.05 56.25 2kbz n THR 48 Cb 0.23 -2.38 0.00 0.00 -2.10 0.00 0.00 70.33 66.08 2kbz n THR 48 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2kbz n ASN 49 N 2.13 0.00 -4.74 3.42 3.02 -1.25 -4.24 115.26 113.61 2kbz n ASN 49 Ca 0.25 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.43 2kbz n ASN 49 Cb 0.37 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.60 2kbz n ASN 49 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kbz s ASP 50 N 0.00 4.84 0.44 6.41 2.15 -0.58 -4.85 116.67 125.08 2kbz s ASP 50 Ca 0.00 2.59 0.02 0.00 0.43 0.00 0.00 52.55 55.59 2kbz s ASP 50 Cb 0.00 -2.62 0.09 0.00 -0.30 0.00 0.00 42.92 40.09 2kbz s ASP 50 CO 0.00 -1.84 0.89 0.07 -0.17 0.00 0.00 175.17 174.12 2kbz h LYS 51 N 0.76 0.00 0.00 4.34 2.10 -1.88 -2.79 116.57 119.10 2kbz h LYS 51 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2kbz h LYS 51 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 2kbz h LYS 51 CO 0.54 0.00 0.00 1.25 -2.00 0.00 0.00 179.45 179.24 2kbz h HIS 52 N 0.00 0.00 -0.81 0.07 2.76 -1.88 -3.31 115.15 111.98 2kbz h HIS 52 Ca 0.00 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.32 2kbz h HIS 52 Cb 1.57 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 30.43 2kbz h HIS 52 CO 0.00 0.00 0.37 0.38 -1.30 0.00 0.00 177.93 177.38 2kbz h ASP 53 N 0.00 0.40 0.60 3.26 2.03 -1.07 0.54 116.42 122.18 2kbz h ASP 53 Ca 0.00 0.11 -0.15 0.00 -0.73 0.00 0.00 57.03 56.26 2kbz h ASP 53 Cb 0.60 0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 39.14 2kbz h ASP 53 CO 0.00 0.15 -0.69 1.05 -1.03 0.00 0.00 179.24 178.72 2kbz h GLU 54 N 0.52 0.07 0.00 4.15 4.11 -1.86 0.38 114.58 121.96 2kbz h GLU 54 Ca 0.45 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 59.78 2kbz h GLU 54 Cb 0.68 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2kbz h GLU 54 CO -0.40 0.73 -0.15 -0.92 0.07 0.00 0.00 179.01 178.34 2kbz h TYR 55 N 0.05 0.14 0.09 2.06 5.03 -1.54 -3.32 116.97 119.49 2kbz h TYR 55 Ca -0.01 -0.08 -0.00 0.00 2.58 0.00 0.00 58.73 61.21 2kbz h TYR 55 Cb 1.22 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.49 2kbz h TYR 55 CO 0.01 0.90 -0.04 1.37 -1.32 0.00 0.00 178.16 179.08 2kbz h LEU 56 N -0.66 -0.10 -1.54 2.82 8.10 0.04 -3.15 115.31 120.83 2kbz h LEU 56 Ca -0.02 -0.14 0.18 0.00 0.11 0.00 0.00 57.88 58.01 2kbz h LEU 56 Cb 0.95 0.03 -0.06 0.00 -0.44 0.00 0.00 40.66 41.14 2kbz h LEU 56 CO 0.03 0.07 0.56 0.71 -4.11 0.00 0.00 178.44 175.70 2kbz h THR 57 N -0.27 0.73 -0.12 0.15 1.35 -1.12 -2.98 112.91 110.66 2kbz h THR 57 Ca -0.01 -0.14 -0.08 0.00 -0.55 0.00 0.00 66.41 65.63 2kbz h THR 57 Cb 0.23 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 66.92 2kbz h THR 57 CO 0.02 0.08 -0.28 -0.33 -0.25 0.00 0.00 175.52 174.75 2kbz h GLU 58 N 0.42 0.21 -0.89 4.72 4.39 -1.64 -3.02 114.58 118.76 2kbz h GLU 58 Ca 0.42 -0.07 0.17 0.00 0.34 0.00 0.00 59.36 60.22 2kbz h GLU 58 Cb 1.02 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.55 2kbz h GLU 58 CO -0.15 0.48 0.46 0.52 -1.16 0.00 0.00 179.01 179.17 2kbz h MET 59 N 0.19 0.59 0.07 2.33 2.86 -1.56 -3.01 114.93 116.40 2kbz h MET 59 Ca 0.03 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2kbz h MET 59 Cb 0.61 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2kbz h MET 59 CO 0.04 0.39 -0.03 0.28 1.06 0.00 0.00 176.91 178.65 2kbz h VAL 60 N 0.60 1.01 0.00 -2.22 2.07 -1.62 -2.96 116.25 113.13 2kbz h VAL 60 Ca 0.51 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.53 2kbz h VAL 60 Cb 0.79 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2kbz h VAL 60 CO -0.40 0.30 0.36 -0.65 0.02 0.00 0.00 177.57 177.20 2kbz h PRO 61 N -0.92 0.00 0.14 1.57 0.11 -1.59 0.36 132.00 131.66 2kbz h PRO 61 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 2kbz h PRO 61 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2kbz h PRO 61 CO 0.02 0.00 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.67 2kbz h LEU 62 N 0.00 -0.16 0.31 2.35 3.38 -1.57 -2.29 115.31 117.33 2kbz h LEU 62 Ca 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2kbz h LEU 62 Cb 0.72 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2kbz h LEU 62 CO 0.00 0.07 -0.15 0.25 0.09 0.00 0.00 178.44 178.70 2kbz h LEU 63 N -0.38 -0.36 -0.54 1.67 5.85 -0.38 -2.93 115.31 118.25 2kbz h LEU 63 Ca -0.02 -0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.37 2kbz h LEU 63 Cb 0.31 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2kbz h LEU 63 CO 0.03 0.00 -0.63 1.62 -0.34 0.00 0.00 178.44 179.12 2kbz h VAL 64 N -0.75 1.37 0.02 1.05 3.04 -0.66 -2.83 116.25 117.49 2kbz h VAL 64 Ca -0.04 -1.99 -0.21 0.00 -1.01 0.00 0.00 66.70 63.44 2kbz h VAL 64 Cb 0.50 1.99 -0.02 0.00 -2.01 0.00 0.00 31.29 31.75 2kbz h VAL 64 CO 0.07 0.60 -0.99 -0.33 -1.01 0.00 0.00 177.57 175.91 2kbz h GLU 65 N 0.27 0.08 -0.02 4.17 4.39 -1.57 0.60 114.58 122.49 2kbz h GLU 65 Ca -0.01 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.61 2kbz h GLU 65 Cb 1.17 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.81 2kbz h GLU 65 CO 0.11 1.00 -0.27 0.35 -1.16 0.00 0.00 179.01 179.03 2kbz h PHE 66 N 0.03 -0.73 0.00 4.33 3.04 -1.53 -2.69 116.94 119.38 2kbz h PHE 66 Ca -0.04 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 2kbz h PHE 66 Cb 1.70 0.33 -0.02 0.00 2.56 0.00 0.00 35.95 40.52 2kbz h PHE 66 CO 0.02 -0.36 -0.54 0.00 -2.02 0.00 0.00 178.31 175.40 2kbz h ALA 67 N 0.42 1.03 0.00 2.41 0.00 -1.53 -3.31 119.26 118.29 2kbz h ALA 67 Ca 0.07 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 2kbz h ALA 67 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kbz h ALA 67 CO -0.25 0.68 -0.42 -0.22 0.00 0.00 0.00 179.25 179.04 2kbz h LYS 68 N 0.00 0.00 -0.11 0.00 3.11 -0.81 -3.31 116.57 115.44 2kbz h LYS 68 Ca -0.01 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.87 2kbz h LYS 68 Cb 1.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.23 2kbz h LYS 68 CO 0.07 0.42 0.19 0.38 -2.81 0.00 0.00 179.45 177.70 2kbz h ASP 69 N 0.00 0.00 -0.23 4.20 3.04 -1.56 -2.66 116.42 119.20 2kbz h ASP 69 Ca -0.00 0.00 0.07 0.00 -3.24 0.00 0.00 57.03 53.85 2kbz h ASP 69 Cb 1.12 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.40 2kbz h ASP 69 CO 0.05 0.00 0.26 -0.08 -2.04 0.00 0.00 179.24 177.43 2kbz h GLU 70 N 0.00 0.00 -0.41 4.15 4.81 -1.79 -3.33 114.58 118.00 2kbz h GLU 70 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2kbz h GLU 70 Cb 0.43 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2kbz h GLU 70 CO -0.00 0.00 0.01 0.00 -0.73 0.00 0.00 179.01 178.28 2kbz n HIS 72 N -0.00 0.00 -3.01 0.00 -0.00 -1.25 -4.71 115.22 106.24 2kbz n HIS 72 Ca 0.25 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 58.05 2kbz n HIS 72 Cb 1.05 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.86 2kbz n HIS 72 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2kbz s ASN 73 N 0.00 7.22 0.00 0.26 6.03 -1.26 -5.03 114.94 122.16 2kbz s ASN 73 Ca 0.00 1.56 0.25 0.00 -1.03 0.00 0.00 52.86 53.65 2kbz s ASN 73 Cb 0.00 -2.47 0.53 0.00 -3.03 0.00 0.00 41.25 36.28 2kbz s ASN 73 CO 0.00 0.08 1.43 -0.81 -2.03 0.00 0.00 177.10 175.77 2kbz n PRO 74 N 1.00 1.20 -4.08 3.55 -0.04 -1.26 -4.62 135.00 130.76 2kbz n PRO 74 Ca -0.03 -0.84 -0.46 0.00 -0.04 0.00 0.00 63.50 62.13 2kbz n PRO 74 Cb 0.50 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 2kbz n PRO 74 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2kbz n PHE 75 N -0.17 -1.37 -4.61 0.54 1.16 -1.26 -4.95 117.46 106.80 2kbz n PHE 75 Ca 0.13 0.08 -0.31 0.00 -1.87 0.00 0.00 57.45 55.48 2kbz n PHE 75 Cb 0.41 -2.71 -0.12 0.00 -1.61 0.00 0.00 39.48 35.45 2kbz n PHE 75 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2kbz s ILE 76 N -3.52 2.89 0.36 1.97 -1.09 -1.26 -0.31 121.20 120.24 2kbz s ILE 76 Ca 0.47 -1.16 0.08 0.00 -2.23 0.00 0.00 60.65 57.81 2kbz s ILE 76 Cb -0.26 -2.23 -0.06 0.00 -1.58 0.00 0.00 42.46 38.33 2kbz s ILE 76 CO 0.96 0.33 0.06 -0.62 -1.23 0.00 0.00 174.94 174.44 2kbz s ASP 77 N -1.48 4.24 0.29 3.58 2.15 0.14 -4.75 116.67 120.84 2kbz s ASP 77 Ca 0.15 -1.03 0.05 0.00 0.43 0.00 0.00 52.55 52.15 2kbz s ASP 77 Cb -0.11 -0.52 0.29 0.00 -0.30 0.00 0.00 42.92 42.29 2kbz s ASP 77 CO 0.06 -0.33 0.96 2.29 -0.17 0.00 0.00 175.17 177.98 2kbz n LYS 78 N -1.03 0.04 -0.00 4.34 2.85 -1.26 -0.23 118.16 122.87 2kbz n LYS 78 Ca -0.03 0.47 0.10 0.00 -1.05 0.00 0.00 58.31 57.80 2kbz n LYS 78 Cb 0.63 -2.16 -0.13 0.00 -0.65 0.00 0.00 35.03 32.72 2kbz n LYS 78 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kbz n ASP 79 N -1.81 0.67 0.00 -5.58 8.00 -1.26 -4.96 116.55 111.61 2kbz n ASP 79 Ca -0.00 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.94 2kbz n ASP 79 Cb 0.53 1.40 0.00 0.00 -0.02 0.00 0.00 41.12 43.03 2kbz n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kbz n GLY 80 N 1.41 0.88 3.99 0.44 0.00 0.68 -5.10 105.19 107.50 2kbz n GLY 80 Ca 0.01 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 2kbz n GLY 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kbz s ASN 81 N -2.66 5.91 0.51 1.61 3.84 -1.23 -4.84 114.94 118.08 2kbz s ASN 81 Ca 0.00 -0.20 -0.18 0.00 0.21 0.00 0.00 52.86 52.69 2kbz s ASN 81 Cb 0.00 -1.15 -0.08 0.00 -0.55 0.00 0.00 41.25 39.47 2kbz s ASN 81 CO 0.00 -0.51 1.01 -0.70 -2.79 0.00 0.00 177.10 174.11 2kbz s GLU 82 N -4.23 3.83 -0.14 0.43 2.12 -1.26 0.26 118.70 119.71 2kbz s GLU 82 Ca 0.47 1.14 -0.02 0.00 0.36 0.00 0.00 54.97 56.91 2kbz s GLU 82 Cb -0.10 -2.11 -0.02 0.00 0.26 0.00 0.00 34.13 32.16 2kbz s GLU 82 CO 0.32 -0.38 -0.07 0.45 -0.54 0.00 0.00 175.26 175.04 2kbz s SER 83 N -2.57 4.57 -0.33 -1.70 0.15 0.58 -4.63 113.70 109.77 2kbz s SER 83 Ca 0.62 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 57.14 2kbz s SER 83 Cb -0.13 -1.68 0.10 0.00 -1.71 0.00 0.00 66.02 62.60 2kbz s SER 83 CO 0.26 0.19 0.04 -0.63 1.20 0.00 0.00 173.24 174.30 2kbz s ILE 84 N 0.25 2.20 1.06 6.45 -1.09 -1.26 -4.93 121.20 123.89 2kbz s ILE 84 Ca -0.05 -2.25 -0.18 0.00 -2.23 0.00 0.00 60.65 55.95 2kbz s ILE 84 Cb -0.14 -2.61 0.24 0.00 -1.58 0.00 0.00 42.46 38.37 2kbz s ILE 84 CO 0.04 -0.56 1.28 -2.16 -1.23 0.00 0.00 174.94 172.30 2kbz s PRO 85 N 0.95 -0.15 0.11 2.79 0.04 -1.26 -4.81 135.00 132.66 2kbz s PRO 85 Ca 0.09 -0.40 -0.23 0.00 0.04 0.00 0.00 61.00 60.50 2kbz s PRO 85 Cb -0.19 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2kbz s PRO 85 CO -0.09 -2.95 1.70 0.66 0.04 0.00 0.00 177.00 176.36 2kbz h SER 86 N -2.02 -0.29 -0.31 6.66 4.64 -1.99 -0.22 113.55 120.03 2kbz h SER 86 Ca -0.44 0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 60.78 2kbz h SER 86 Cb 1.24 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 2kbz h SER 86 CO 0.32 -0.14 -0.35 1.23 -0.87 0.00 0.00 176.83 177.02 2kbz h GLY 87 N -0.16 0.92 1.80 -0.77 0.00 -1.86 -2.90 103.07 100.09 2kbz h GLY 87 Ca 0.04 -0.90 -0.08 0.00 0.00 0.00 0.00 47.33 46.39 2kbz h GLY 87 CO -0.11 0.81 -0.29 -2.08 0.00 0.00 0.00 176.54 174.88 2kbz h VAL 88 N 0.70 1.25 -0.17 4.60 2.07 -1.62 -2.49 116.25 120.59 2kbz h VAL 88 Ca 0.07 -1.20 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 2kbz h VAL 88 Cb 0.91 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2kbz h VAL 88 CO 0.08 0.36 -0.21 0.25 0.02 0.00 0.00 177.57 178.08 2kbz h LEU 89 N 0.21 0.48 -1.73 2.57 5.85 -1.00 -2.31 115.31 119.37 2kbz h LEU 89 Ca 0.03 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 2kbz h LEU 89 Cb 0.62 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2kbz h LEU 89 CO 0.04 0.88 -0.17 0.16 -0.34 0.00 0.00 178.44 179.02 2kbz h ILE 90 N 0.09 0.80 0.54 4.05 3.07 -1.45 -2.81 117.51 121.80 2kbz h ILE 90 Ca 0.02 -0.67 -0.03 0.00 1.55 0.00 0.00 64.86 65.74 2kbz h ILE 90 Cb 0.76 1.40 0.01 0.00 -0.27 0.00 0.00 36.82 38.72 2kbz h ILE 90 CO 0.05 0.17 -0.26 0.15 -1.05 0.00 0.00 178.15 177.21 2kbz h PHE 91 N 0.00 -0.67 -0.05 0.16 3.57 -1.44 -2.67 116.94 115.83 2kbz h PHE 91 Ca -0.00 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2kbz h PHE 91 Cb 0.38 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 2kbz h PHE 91 CO 0.00 -0.35 -0.45 -0.39 -2.23 0.00 0.00 178.31 174.89 2kbz h VAL 92 N -1.08 0.11 0.03 1.41 -1.51 -1.17 -0.21 116.25 113.84 2kbz h VAL 92 Ca -0.07 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.43 2kbz h VAL 92 Cb 0.62 0.11 -0.05 0.00 -2.13 0.00 0.00 31.29 29.84 2kbz h VAL 92 CO 0.12 0.00 -0.32 0.00 -1.23 0.00 0.00 177.57 176.15 2kbz h ALA 93 N -0.07 -0.48 -0.03 5.19 0.00 -1.70 -2.75 119.26 119.43 2kbz h ALA 93 Ca 0.05 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 2kbz h ALA 93 Cb 0.66 0.55 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kbz h ALA 93 CO -0.36 -0.84 -0.94 0.87 0.00 0.00 0.00 179.25 177.98 2kbz h LYS 94 N -0.48 0.57 -0.18 0.00 1.79 -1.25 -0.98 116.57 116.03 2kbz h LYS 94 Ca 0.05 -0.58 -0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2kbz h LYS 94 Cb 0.56 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 2kbz h LYS 94 CO -0.24 1.20 0.11 0.00 -1.08 0.00 0.00 179.45 179.43 2kbz h ALA 95 N 0.61 0.22 0.01 3.86 0.00 -1.16 -0.77 119.26 122.03 2kbz h ALA 95 Ca -0.09 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 2kbz h ALA 95 Cb 1.58 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2kbz h ALA 95 CO 0.18 -0.26 -0.87 0.00 0.00 0.00 0.00 179.25 178.29 2kbz h ALA 96 N 1.02 0.55 -0.30 0.00 0.00 -1.57 -1.11 119.26 117.85 2kbz h ALA 96 Ca 0.06 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 2kbz h ALA 96 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2kbz h ALA 96 CO -0.01 0.98 0.07 1.96 0.00 0.00 0.00 179.25 182.24 2kbz h GLN 97 N 0.06 0.48 -0.35 0.00 4.20 -1.08 -0.33 115.11 118.08 2kbz h GLN 97 Ca -0.03 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 2kbz h GLN 97 Cb 1.51 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 2kbz h GLN 97 CO 0.12 0.56 -0.11 0.35 -0.67 0.00 0.00 178.83 179.08 2kbz h PHE 98 N 0.31 0.79 -0.19 2.96 3.57 -1.14 -2.48 116.94 120.76 2kbz h PHE 98 Ca 0.09 -0.18 -0.10 0.00 3.53 0.00 0.00 57.97 61.31 2kbz h PHE 98 Cb 0.30 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2kbz h PHE 98 CO 0.02 0.87 -0.28 -0.92 -2.23 0.00 0.00 178.31 175.76 2kbz h TYR 99 N 0.48 0.64 0.00 0.41 3.20 -1.25 -3.37 116.97 117.08 2kbz h TYR 99 Ca 0.09 -0.22 -0.20 0.00 3.14 0.00 0.00 58.73 61.54 2kbz h TYR 99 Cb 0.63 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 2kbz h TYR 99 CO 0.05 0.93 -1.04 1.98 -1.64 0.00 0.00 178.16 178.44 2kbz h MET 100 N 0.18 0.00 0.00 1.82 4.05 -1.17 -3.35 114.93 116.46 2kbz h MET 100 Ca 0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2kbz h MET 100 Cb 0.86 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 2kbz h MET 100 CO 0.07 0.76 0.00 -2.37 0.23 0.00 0.00 176.91 175.59 2kbz n THR 101 N -3.24 1.90 0.12 -0.77 5.66 -0.93 -0.67 114.28 116.34 2kbz n THR 101 Ca -0.03 0.50 0.07 0.00 -3.05 0.00 0.00 64.05 61.54 2kbz n THR 101 Cb 0.91 -1.49 0.13 0.00 -1.55 0.00 0.00 70.33 68.32 2kbz n THR 101 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2kbz n ASN 102 N -1.54 2.65 -1.18 1.09 6.94 -1.26 -4.57 115.26 117.39 2kbz n ASN 102 Ca 0.00 -1.80 0.09 0.00 -0.02 0.00 0.00 54.58 52.85 2kbz n ASN 102 Cb 0.01 -0.15 0.28 0.00 -2.36 0.00 0.00 39.78 37.56 2kbz n ASN 102 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kbz n ALA 103 N 0.71 2.57 0.84 -2.53 0.00 0.16 0.06 120.51 122.31 2kbz n ALA 103 Ca 0.11 -1.42 0.12 0.00 0.00 0.00 0.00 53.44 52.25 2kbz n ALA 103 Cb 0.40 -0.79 0.30 0.00 0.00 0.00 0.00 19.45 19.36 2kbz n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kbz n GLY 104 N 1.01 -1.38 0.93 0.00 0.00 -1.25 -3.98 105.19 100.52 2kbz n GLY 104 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 2kbz n GLY 104 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kbz n LEU 105 N -1.75 0.87 -1.98 0.99 -0.00 -1.20 -4.78 117.00 109.16 2kbz n LEU 105 Ca 0.05 0.12 -0.21 0.00 -0.00 0.00 0.00 56.01 55.97 2kbz n LEU 105 Cb 0.38 -0.28 0.06 0.00 -0.00 0.00 0.00 43.42 43.57 2kbz n LEU 105 CO 0.34 -0.45 1.24 0.41 -0.00 0.00 0.00 177.39 178.93 2kbz n THR 106 N -3.45 2.92 -3.02 1.47 -1.04 0.11 -4.95 114.28 106.32 2kbz n THR 106 Ca -0.03 -1.89 -0.20 0.00 -2.04 0.00 0.00 64.05 59.90 2kbz n THR 106 Cb 0.22 -1.21 0.07 0.00 -1.82 0.00 0.00 70.33 67.59 2kbz n THR 106 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kbz n GLY 107 N -0.05 1.91 3.84 3.41 0.00 -1.26 -4.67 105.19 108.37 2kbz n GLY 107 Ca 0.38 -2.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.14 2kbz n GLY 107 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kbz s ARG 108 N -4.66 1.55 -0.94 1.61 1.70 -1.26 -5.05 118.95 111.90 2kbz s ARG 108 Ca 0.61 -0.97 -0.21 0.00 -0.47 0.00 0.00 55.73 54.70 2kbz s ARG 108 Cb -0.05 0.45 -0.11 0.00 -0.57 0.00 0.00 34.95 34.67 2kbz s ARG 108 CO 0.39 -0.72 1.98 -1.13 -1.08 0.00 0.00 175.30 174.73 2kbz n SER 109 N -1.10 2.85 0.00 -2.89 3.41 -1.26 -4.41 113.62 110.23 2kbz n SER 109 Ca -0.05 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 2kbz n SER 109 Cb 0.60 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 2kbz n SER 109 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2kbz n MET 110 N 6.97 0.00 -0.15 4.33 2.81 -1.26 -4.78 117.12 125.04 2kbz n MET 110 Ca 0.50 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 2kbz n MET 110 Cb 0.41 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.92 2kbz n MET 110 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2kbz n ASP 111 N 3.03 -0.20 0.00 7.83 2.03 -1.26 -4.79 116.55 123.19 2kbz n ASP 111 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kbz n ASP 111 Cb 0.00 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 2kbz n ASP 111 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2kbz n THR 112 N -0.09 0.00 0.00 5.18 -1.04 -1.26 -3.87 114.28 113.20 2kbz n THR 112 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2kbz n THR 112 Cb 0.04 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 2kbz n THR 112 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2kbz n VAL 113 N 0.00 0.00 0.88 12.58 3.14 -1.26 -4.76 118.33 128.92 2kbz n VAL 113 Ca 0.00 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.51 2kbz n VAL 113 Cb 0.00 0.00 0.38 0.00 -1.06 0.00 0.00 33.84 33.16 2kbz n VAL 113 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2kbz n SER 114 N 0.61 0.40 0.00 6.55 7.64 -1.26 -5.00 113.62 122.56 2kbz n SER 114 Ca 0.00 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2kbz n SER 114 Cb 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2kbz n SER 114 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2kbz n TYR 115 N -1.69 0.00 -1.15 1.43 4.02 -1.25 -4.07 117.16 114.45 2kbz n TYR 115 Ca 0.06 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2kbz n TYR 115 Cb 0.37 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.68 2kbz n TYR 115 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2kbz n ASN 116 N 6.20 -0.01 0.28 7.72 6.94 -1.26 -4.96 115.26 130.18 2kbz n ASN 116 Ca 0.00 -0.04 0.16 0.00 -0.02 0.00 0.00 54.58 54.68 2kbz n ASN 116 Cb 0.00 0.00 0.84 0.00 -2.36 0.00 0.00 39.78 38.26 2kbz n ASN 116 CO 0.00 0.00 0.00 -0.26 -1.03 0.00 0.00 177.26 175.97 2kbz h PHE 117 N 0.00 0.00 -0.00 -2.53 0.04 -1.88 0.72 116.94 113.29 2kbz h PHE 117 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kbz h PHE 117 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2kbz h PHE 117 CO -0.01 0.07 -0.34 0.00 -0.60 0.00 0.00 178.31 177.42 2kbz n ALA 118 N -2.21 3.21 -0.02 2.45 0.00 -1.26 -3.92 120.51 118.76 2kbz n ALA 118 Ca -0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.08 2kbz n ALA 118 Cb 0.21 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 2kbz n ALA 118 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kbz n THR 119 N -1.28 0.24 -1.78 0.00 -1.04 0.23 -5.10 114.28 105.55 2kbz n THR 119 Ca 0.08 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2kbz n THR 119 Cb 0.33 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 2kbz n THR 119 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kbz n GLU 120 N -2.67 3.98 -0.93 -2.82 -0.58 0.23 -5.10 120.64 112.75 2kbz n GLU 120 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2kbz n GLU 120 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.45 2kbz n GLU 120 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2kbz n ILE 121 N 0.00 -5.04 -1.66 -3.67 5.41 -1.26 -4.81 119.36 108.33 2kbz n ILE 121 Ca 0.00 1.13 -0.45 0.00 1.00 0.00 0.00 62.75 64.43 2kbz n ILE 121 Cb 0.00 -2.82 -0.02 0.00 -0.71 0.00 0.00 39.64 36.08 2kbz n ILE 121 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2kbz n PRO 122 N 0.42 1.89 0.00 0.38 -0.04 -1.26 -4.90 135.00 131.49 2kbz n PRO 122 Ca 0.00 0.67 0.22 0.00 -0.04 0.00 0.00 63.50 64.35 2kbz n PRO 122 Cb 0.00 -2.28 0.72 0.00 -0.04 0.00 0.00 33.50 31.91 2kbz n PRO 122 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kbz h SER 123 N 3.69 0.00 0.62 3.54 0.02 -1.99 -2.88 113.55 116.55 2kbz h SER 123 Ca -0.45 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.34 2kbz h SER 123 Cb 1.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 2kbz h SER 123 CO 0.72 0.00 -0.76 0.00 -1.14 0.00 0.00 176.83 175.65 2kbz h THR 124 N 0.00 1.49 0.00 -2.27 1.03 -2.03 -3.15 112.91 107.98 2kbz h THR 124 Ca 0.26 -2.45 -0.08 0.00 -0.01 0.00 0.00 66.41 64.13 2kbz h THR 124 Cb 1.15 2.33 -0.01 0.00 -1.07 0.00 0.00 68.15 70.55 2kbz h THR 124 CO -0.00 0.71 -0.36 0.40 -0.01 0.00 0.00 175.52 176.25 2kbz h ILE 125 N 0.07 0.88 -0.52 0.00 5.03 -1.89 -3.30 117.51 117.78 2kbz h ILE 125 Ca -0.02 -1.47 0.15 0.00 -0.12 0.00 0.00 64.86 63.41 2kbz h ILE 125 Cb 1.33 1.89 -0.02 0.00 -3.03 0.00 0.00 36.82 36.99 2kbz h ILE 125 CO 0.11 0.36 0.56 -0.07 -0.68 0.00 0.00 178.15 178.43 2kbz h LEU 126 N 0.00 0.00 -0.59 1.44 -0.00 -1.62 0.41 115.31 114.95 2kbz h LEU 126 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.75 2kbz h LEU 126 Cb 0.86 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.51 2kbz h LEU 126 CO 0.05 0.00 -0.59 0.50 -0.00 0.00 0.00 178.44 178.40 2kbz h LYS 127 N 0.00 0.00 0.00 1.13 3.64 -1.75 -3.16 116.57 116.42 2kbz h LYS 127 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2kbz h LYS 127 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2kbz h LYS 127 CO -0.00 0.59 0.00 1.63 -2.27 0.00 0.00 179.45 179.40 2kbz n LYS 128 N -3.56 0.19 0.12 1.90 4.01 0.14 -2.50 118.16 118.46 2kbz n LYS 128 Ca -0.00 0.29 0.05 0.00 -0.51 0.00 0.00 58.31 58.14 2kbz n LYS 128 Cb 0.65 -1.78 0.51 0.00 -0.51 0.00 0.00 35.03 33.90 2kbz n LYS 128 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2kbz h LEU 129 N 0.00 0.25 -0.93 -0.35 7.12 -1.46 -3.30 115.31 116.64 2kbz h LEU 129 Ca 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2kbz h LEU 129 Cb 0.51 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.58 2kbz h LEU 129 CO 0.00 0.21 -0.34 0.59 -0.13 0.00 0.00 178.44 178.77 2kbz n ASN 130 N -4.47 1.78 0.02 1.25 3.02 -1.04 -4.49 115.26 111.34 2kbz n ASN 130 Ca 0.00 -1.37 0.10 0.00 -0.03 0.00 0.00 54.58 53.28 2kbz n ASN 130 Cb 0.10 0.30 0.44 0.00 -0.61 0.00 0.00 39.78 40.01 2kbz n ASN 130 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2kbz n PRO 131 N -0.07 0.04 0.00 3.52 -0.02 -1.26 -4.27 135.00 132.95 2kbz n PRO 131 Ca 0.11 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2kbz n PRO 131 Cb 0.44 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2kbz n PRO 131 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2kbz n TYR 132 N -1.64 0.00 0.00 6.00 9.36 -1.26 -4.76 117.16 124.85 2kbz n TYR 132 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 2kbz n TYR 132 Cb 0.25 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.96 2kbz n TYR 132 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2kbz n ARG 133 N -0.42 0.00 -1.37 2.98 1.74 -1.26 -0.90 116.66 117.44 2kbz n ARG 133 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 2kbz n ARG 133 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 2kbz n ARG 133 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2kbz n LYS 134 N 0.00 0.29 0.27 5.56 3.00 -1.26 -4.79 118.16 121.23 2kbz n LYS 134 Ca 0.00 -0.46 0.18 0.00 -0.00 0.00 0.00 58.31 58.03 2kbz n LYS 134 Cb 0.00 0.33 0.76 0.00 0.00 0.00 0.00 35.03 36.12 2kbz n LYS 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kbz h MET 135 N 0.21 0.00 -4.89 1.64 -0.00 -1.36 -3.39 114.93 107.14 2kbz h MET 135 Ca -0.21 0.00 -0.66 0.00 -0.00 0.00 0.00 59.70 58.83 2kbz h MET 135 Cb 1.00 0.00 -0.36 0.00 -0.00 0.00 0.00 31.60 32.24 2kbz h MET 135 CO -0.10 0.00 -0.83 0.00 -0.00 0.00 0.00 176.91 175.98 2kbz s ALA 136 N -3.71 2.35 -2.81 -3.00 0.00 -1.26 -5.14 121.76 108.18 2kbz s ALA 136 Ca 0.00 -1.41 0.25 0.00 0.00 0.00 0.00 51.96 50.81 2kbz s ALA 136 Cb 0.10 -1.34 0.51 0.00 0.00 0.00 0.00 23.12 22.39 2kbz s ALA 136 CO 0.49 -0.74 1.44 0.54 0.00 0.00 0.00 175.76 177.49