#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 -0.13 2.61 5.12 -1.26 -4.91 116.66 118.09 2kbz n ARG 40 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 2kbz n ARG 40 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 2kbz n ARG 40 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 2kbz h VAL 41 N 0.00 1.18 0.00 1.55 3.04 -2.07 -3.13 116.25 116.81 2kbz h VAL 41 Ca 0.00 -0.52 -0.08 0.00 -1.01 0.00 0.00 66.70 65.09 2kbz h VAL 41 Cb 0.00 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 2kbz h VAL 41 CO 0.00 0.19 -0.39 0.07 -1.01 0.00 0.00 177.57 176.44 2kbz h LYS 42 N 0.49 0.00 -0.07 4.17 -0.00 -2.00 -3.33 116.57 115.82 2kbz h LYS 42 Ca 0.13 0.00 0.02 0.00 -0.00 0.00 0.00 60.65 60.80 2kbz h LYS 42 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.36 2kbz h LYS 42 CO -0.02 0.39 0.08 0.00 -0.00 0.00 0.00 179.45 179.90 2kbz h ARG 43 N 0.00 0.00 -0.01 0.07 3.08 -1.92 0.86 114.38 116.46 2kbz h ARG 43 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2kbz h ARG 43 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2kbz h ARG 43 CO 0.05 0.00 -0.03 1.25 -1.07 0.00 0.00 179.97 180.17 2kbz h LEU 44 N 0.00 0.04 0.00 3.04 6.46 -1.72 -3.21 115.31 119.92 2kbz h LEU 44 Ca 0.03 -0.66 0.00 0.00 -0.12 0.00 0.00 57.88 57.14 2kbz h LEU 44 Cb 0.19 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 2kbz h LEU 44 CO -0.00 0.69 -1.16 0.00 -0.62 0.00 0.00 178.44 177.35 2kbz n LEU 45 N -4.74 0.60 -0.06 2.25 -0.00 -1.10 -0.73 117.00 113.22 2kbz n LEU 45 Ca -0.09 0.12 0.12 0.00 -0.00 0.00 0.00 56.01 56.17 2kbz n LEU 45 Cb 0.34 -0.07 0.68 0.00 -0.00 0.00 0.00 43.42 44.37 2kbz n LEU 45 CO 0.35 -0.05 0.94 -0.24 -0.00 0.00 0.00 177.39 178.38 2kbz n SER 46 N -2.28 0.19 0.09 1.45 2.88 0.30 -0.80 113.62 115.44 2kbz n SER 46 Ca 0.00 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.25 2kbz n SER 46 Cb 0.50 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2kbz n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbz n ILE 47 N -0.74 0.43 -3.45 2.46 3.06 -1.21 -4.74 119.36 115.17 2kbz n ILE 47 Ca 0.18 0.14 -0.42 0.00 -2.50 0.00 0.00 62.75 60.15 2kbz n ILE 47 Cb 0.11 -0.95 -0.03 0.00 0.54 0.00 0.00 39.64 39.32 2kbz n ILE 47 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 2kbz s THR 48 N -2.00 5.33 0.00 9.51 2.01 0.09 -2.01 115.64 128.57 2kbz s THR 48 Ca 0.00 -3.34 0.00 0.00 0.31 0.00 0.00 61.69 58.66 2kbz s THR 48 Cb 0.00 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.26 2kbz s THR 48 CO 0.00 -1.11 0.00 0.59 -0.69 0.00 0.00 174.62 173.41 2kbz n ASN 49 N 2.89 0.00 -4.62 3.53 3.02 -1.25 -4.32 115.26 114.51 2kbz n ASN 49 Ca 0.20 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.46 2kbz n ASN 49 Cb 0.40 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.76 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 2.32 0.57 6.41 2.15 0.02 -4.86 116.67 123.28 2kbz s ASP 50 Ca 0.00 1.60 0.43 0.00 0.43 0.00 0.00 52.55 55.01 2kbz s ASP 50 Cb 0.00 -2.26 1.56 0.00 -0.30 0.00 0.00 42.92 41.92 2kbz s ASP 50 CO 0.00 -3.38 1.58 0.07 -0.17 0.00 0.00 175.17 173.28 2kbz h LYS 51 N -2.06 0.00 -0.00 4.34 2.10 -1.88 -2.67 116.57 116.40 2kbz h LYS 51 Ca -0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 2kbz h LYS 51 Cb 1.30 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.63 2kbz h LYS 51 CO 0.51 0.00 0.01 1.25 -2.00 0.00 0.00 179.45 179.22 2kbz h HIS 52 N 0.00 0.00 -0.99 0.07 2.76 -1.85 -2.42 115.15 112.72 2kbz h HIS 52 Ca 0.77 0.00 0.27 0.00 -2.20 0.00 0.00 60.37 59.21 2kbz h HIS 52 Cb 3.26 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 32.17 2kbz h HIS 52 CO 0.00 0.00 0.69 0.22 -1.30 0.00 0.00 177.93 177.54 2kbz h ASP 53 N 0.00 0.10 -0.19 3.26 3.58 -1.04 0.55 116.42 122.69 2kbz h ASP 53 Ca 0.00 0.02 -0.19 0.00 0.42 0.00 0.00 57.03 57.28 2kbz h ASP 53 Cb 0.02 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2kbz h ASP 53 CO -0.00 0.03 -0.60 1.05 -2.88 0.00 0.00 179.24 176.83 2kbz h GLU 54 N 0.10 0.80 0.05 0.28 4.11 -1.72 -1.92 114.58 116.28 2kbz h GLU 54 Ca 0.49 -0.54 -0.26 0.00 0.07 0.00 0.00 59.36 59.11 2kbz h GLU 54 Cb 1.76 0.08 0.02 0.00 0.50 0.00 0.00 28.75 31.11 2kbz h GLU 54 CO -0.06 1.16 -1.05 -0.92 0.07 0.00 0.00 179.01 178.21 2kbz h TYR 55 N 0.60 0.97 0.22 2.06 3.20 -0.99 -2.85 116.97 120.17 2kbz h TYR 55 Ca -0.00 -0.56 -0.01 0.00 3.14 0.00 0.00 58.73 61.30 2kbz h TYR 55 Cb 1.21 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2kbz h TYR 55 CO 0.07 1.40 -0.10 1.25 -1.64 0.00 0.00 178.16 179.13 2kbz h LEU 56 N 0.26 -0.25 -1.88 2.82 6.46 -0.13 -2.22 115.31 120.38 2kbz h LEU 56 Ca -0.15 -0.01 0.12 0.00 -0.12 0.00 0.00 57.88 57.72 2kbz h LEU 56 Cb 1.73 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 41.70 2kbz h LEU 56 CO 0.20 -0.15 0.36 0.74 -0.62 0.00 0.00 178.44 178.97 2kbz h THR 57 N -0.32 0.80 -0.08 1.05 2.02 -1.50 -3.14 112.91 111.74 2kbz h THR 57 Ca -0.03 -0.04 -0.20 0.00 0.77 0.00 0.00 66.41 66.91 2kbz h THR 57 Cb 0.25 0.66 0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2kbz h THR 57 CO 0.05 0.02 -0.73 -0.33 0.37 0.00 0.00 175.52 174.90 2kbz h GLU 58 N 0.13 0.63 -0.82 6.66 5.08 -1.21 -3.34 114.58 121.71 2kbz h GLU 58 Ca 0.24 -0.58 0.13 0.00 -1.00 0.00 0.00 59.36 58.16 2kbz h GLU 58 Cb 0.79 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.12 2kbz h GLU 58 CO -0.03 1.19 0.54 0.52 -1.00 0.00 0.00 179.01 180.23 2kbz h MET 59 N 0.28 0.60 -0.07 2.33 2.86 -1.37 -3.06 114.93 116.50 2kbz h MET 59 Ca -0.07 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.40 2kbz h MET 59 Cb 1.39 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.92 2kbz h MET 59 CO 0.15 0.39 -0.50 0.28 1.06 0.00 0.00 176.91 178.30 2kbz h VAL 60 N 0.61 1.39 -0.25 -2.22 2.07 -1.67 -2.26 116.25 113.92 2kbz h VAL 60 Ca 0.40 -1.87 0.07 0.00 0.82 0.00 0.00 66.70 66.12 2kbz h VAL 60 Cb 0.68 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2kbz h VAL 60 CO -0.16 0.55 0.49 -0.65 0.02 0.00 0.00 177.57 177.82 2kbz h PRO 61 N 0.02 0.00 -0.72 1.57 0.11 -1.67 0.36 132.00 131.66 2kbz h PRO 61 Ca -0.04 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.10 2kbz h PRO 61 Cb 1.16 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 2kbz h PRO 61 CO 0.10 0.00 0.45 -0.07 -0.21 0.00 0.00 178.00 178.28 2kbz h LEU 62 N 0.00 0.75 -0.02 2.35 4.07 -1.31 -0.36 115.31 120.79 2kbz h LEU 62 Ca 0.12 -0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.00 2kbz h LEU 62 Cb 1.09 -0.16 0.01 0.00 1.08 0.00 0.00 40.66 42.67 2kbz h LEU 62 CO -0.00 0.52 -0.31 0.25 -1.08 0.00 0.00 178.44 177.81 2kbz h LEU 63 N 0.89 0.30 -0.27 1.67 5.85 -0.45 -2.66 115.31 120.64 2kbz h LEU 63 Ca 0.29 -0.74 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 2kbz h LEU 63 Cb 0.02 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2kbz h LEU 63 CO -0.11 1.00 0.08 0.58 -0.34 0.00 0.00 178.44 179.64 2kbz h VAL 64 N -0.37 1.20 0.01 1.05 2.07 -0.54 -0.13 116.25 119.55 2kbz h VAL 64 Ca -0.03 -0.66 -0.25 0.00 0.82 0.00 0.00 66.70 66.57 2kbz h VAL 64 Cb 1.03 1.13 0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2kbz h VAL 64 CO 0.06 0.22 -1.00 -0.33 0.02 0.00 0.00 177.57 176.54 2kbz h GLU 65 N 0.27 0.66 0.02 1.57 5.08 -1.24 -0.60 114.58 120.33 2kbz h GLU 65 Ca 0.09 -0.72 -0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2kbz h GLU 65 Cb 0.26 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2kbz h GLU 65 CO -0.00 1.31 -0.01 0.27 -1.00 0.00 0.00 179.01 179.57 2kbz h PHE 66 N 0.32 -0.02 -0.16 4.33 -0.00 -1.49 -2.36 116.94 117.56 2kbz h PHE 66 Ca -0.13 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.76 2kbz h PHE 66 Cb 1.66 0.01 -0.00 0.00 -0.00 0.00 0.00 35.95 37.62 2kbz h PHE 66 CO 0.11 0.13 -0.21 0.00 -0.00 0.00 0.00 178.31 178.34 2kbz h ALA 67 N 0.80 0.24 0.00 12.09 0.00 -1.13 -3.28 119.26 127.98 2kbz h ALA 67 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2kbz h ALA 67 Cb 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kbz h ALA 67 CO 0.00 0.18 -0.03 0.87 0.00 0.00 0.00 179.25 180.28 2kbz h LYS 68 N 0.05 0.00 -0.20 0.00 1.79 -1.22 -3.13 116.57 113.86 2kbz h LYS 68 Ca 0.02 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.55 2kbz h LYS 68 Cb 0.77 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 2kbz h LYS 68 CO 0.05 0.03 0.33 0.22 -1.08 0.00 0.00 179.45 178.99 2kbz h ASP 69 N 0.00 0.00 -0.44 0.86 3.58 -1.47 -2.80 116.42 116.15 2kbz h ASP 69 Ca -0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2kbz h ASP 69 Cb 0.66 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 2kbz h ASP 69 CO 0.00 0.00 0.19 -0.08 -2.88 0.00 0.00 179.24 176.48 2kbz h GLU 70 N 0.00 0.69 -0.25 0.28 4.57 -1.71 -2.98 114.58 115.18 2kbz h GLU 70 Ca 0.10 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2kbz h GLU 70 Cb 0.75 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 2kbz h GLU 70 CO -0.00 0.57 -0.00 0.00 -1.18 0.00 0.00 179.01 178.40 2kbz n HIS 72 N -0.61 -0.08 -2.63 0.00 -0.00 -1.13 -4.85 115.22 105.91 2kbz n HIS 72 Ca 0.22 0.01 -0.37 0.00 0.46 0.00 0.00 57.72 58.04 2kbz n HIS 72 Cb 0.89 -0.16 -0.05 0.00 -0.12 0.00 0.00 29.99 30.55 2kbz n HIS 72 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 2kbz s ASN 73 N -4.56 7.08 -1.37 0.26 2.47 -1.25 -4.99 114.94 112.59 2kbz s ASN 73 Ca 0.03 1.99 -0.07 0.00 0.42 0.00 0.00 52.86 55.23 2kbz s ASN 73 Cb -0.01 -2.59 0.09 0.00 -1.45 0.00 0.00 41.25 37.29 2kbz s ASN 73 CO 0.06 -0.26 2.41 -0.81 -3.72 0.00 0.00 177.10 174.78 2kbz n PRO 74 N 0.40 4.32 -0.29 0.43 -0.04 -1.26 -4.78 135.00 133.79 2kbz n PRO 74 Ca 0.03 -3.27 0.00 0.00 -0.04 0.00 0.00 63.50 60.22 2kbz n PRO 74 Cb 0.49 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 2.33 0.00 -4.20 0.54 1.16 -1.26 -4.70 117.46 111.32 2kbz n PHE 75 Ca 0.62 -0.71 -0.19 0.00 -1.87 0.00 0.00 57.45 55.30 2kbz n PHE 75 Cb 0.26 -0.39 -0.12 0.00 -1.61 0.00 0.00 39.48 37.62 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 0.27 1.22 0.37 1.97 1.01 -1.26 -0.66 121.20 124.12 2kbz s ILE 76 Ca 0.00 -1.33 0.08 0.00 0.00 0.00 0.00 60.65 59.40 2kbz s ILE 76 Cb 0.00 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 2kbz s ILE 76 CO 0.00 -0.18 0.08 -0.62 0.00 0.00 0.00 174.94 174.22 2kbz s ASP 77 N -1.74 4.31 0.00 3.58 2.15 0.16 -4.70 116.67 120.44 2kbz s ASP 77 Ca -0.00 -1.01 0.00 0.00 0.43 0.00 0.00 52.55 51.97 2kbz s ASP 77 Cb -0.10 -0.54 0.00 0.00 -0.30 0.00 0.00 42.92 41.98 2kbz s ASP 77 CO 0.03 -0.35 0.78 0.29 -0.17 0.00 0.00 175.17 175.74 2kbz n LYS 78 N -1.07 0.00 0.00 4.34 5.02 -1.26 -0.12 118.16 125.07 2kbz n LYS 78 Ca -0.03 0.31 0.09 0.00 -2.02 0.00 0.00 58.31 56.65 2kbz n LYS 78 Cb 0.63 -1.60 0.03 0.00 -0.02 0.00 0.00 35.03 34.08 2kbz n LYS 78 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2kbz n ASP 79 N -1.28 2.08 -0.13 4.39 2.03 -1.26 -4.98 116.55 117.40 2kbz n ASP 79 Ca 0.00 -1.54 -0.01 0.00 0.52 0.00 0.00 54.79 53.76 2kbz n ASP 79 Cb 0.10 0.27 -0.00 0.00 -0.72 0.00 0.00 41.12 40.77 2kbz n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kbz n GLY 80 N 1.15 0.38 3.90 0.27 0.00 0.83 -5.07 105.19 106.65 2kbz n GLY 80 Ca 0.09 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 2kbz n GLY 80 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kbz s ASN 81 N -2.96 4.81 0.73 1.61 0.01 -1.24 -4.83 114.94 113.07 2kbz s ASN 81 Ca 0.00 -1.03 -0.16 0.00 -0.71 0.00 0.00 52.86 50.97 2kbz s ASN 81 Cb 0.00 0.05 0.03 0.00 0.41 0.00 0.00 41.25 41.74 2kbz s ASN 81 CO 0.00 -0.97 1.16 -1.84 -1.51 0.00 0.00 177.10 173.94 2kbz n GLU 82 N -1.74 0.59 -4.27 -0.60 -0.00 -1.26 0.38 120.64 113.74 2kbz n GLU 82 Ca 0.02 0.27 -0.22 0.00 -0.00 0.00 0.00 57.16 57.23 2kbz n GLU 82 Cb 0.63 -2.41 -0.12 0.00 -0.00 0.00 0.00 31.44 29.55 2kbz n GLU 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2kbz s SER 83 N -1.73 2.37 -0.04 -1.84 0.15 0.17 -4.34 113.70 108.45 2kbz s SER 83 Ca 0.77 -0.72 -0.01 0.00 0.70 0.00 0.00 55.95 56.68 2kbz s SER 83 Cb -0.34 -0.12 0.03 0.00 -1.71 0.00 0.00 66.02 63.89 2kbz s SER 83 CO 0.47 -0.00 0.07 -0.63 1.20 0.00 0.00 173.24 174.35 2kbz s ILE 84 N -1.46 -0.07 0.20 6.45 -1.09 -1.26 -4.80 121.20 119.17 2kbz s ILE 84 Ca 0.07 0.23 -0.01 0.00 -2.23 0.00 0.00 60.65 58.71 2kbz s ILE 84 Cb -0.09 -0.14 0.04 0.00 -1.58 0.00 0.00 42.46 40.70 2kbz s ILE 84 CO 0.04 0.09 0.28 -0.81 -1.23 0.00 0.00 174.94 173.31 2kbz n PRO 85 N 4.31 0.25 -0.11 2.79 -0.04 -1.26 -4.93 135.00 136.02 2kbz n PRO 85 Ca -0.25 -0.66 -0.13 0.00 -0.04 0.00 0.00 63.50 62.42 2kbz n PRO 85 Cb 0.50 -0.21 -0.03 0.00 -0.04 0.00 0.00 33.50 33.72 2kbz n PRO 85 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kbz h SER 86 N -0.22 0.87 -0.15 3.54 0.87 -2.02 -1.97 113.55 114.46 2kbz h SER 86 Ca -0.09 -0.47 -0.16 0.00 -1.23 0.00 0.00 61.79 59.84 2kbz h SER 86 Cb 0.31 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2kbz h SER 86 CO 0.09 1.16 -0.52 1.23 -0.53 0.00 0.00 176.83 178.25 2kbz h GLY 87 N 0.60 0.69 2.00 5.77 0.00 -1.97 -2.70 103.07 107.45 2kbz h GLY 87 Ca 0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 2kbz h GLY 87 CO 0.08 0.81 -0.07 -2.08 0.00 0.00 0.00 176.54 175.28 2kbz h VAL 88 N 0.29 0.26 -0.54 4.60 2.07 -1.73 -2.71 116.25 118.48 2kbz h VAL 88 Ca -0.02 -0.51 -0.11 0.00 0.82 0.00 0.00 66.70 66.89 2kbz h VAL 88 Cb 1.15 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2kbz h VAL 88 CO 0.11 0.07 -0.08 0.25 0.02 0.00 0.00 177.57 177.94 2kbz h LEU 89 N 0.00 0.99 -0.98 2.57 5.85 -1.04 0.01 115.31 122.71 2kbz h LEU 89 Ca -0.00 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 2kbz h LEU 89 Cb 0.39 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2kbz h LEU 89 CO 0.01 1.09 -0.08 0.16 -0.34 0.00 0.00 178.44 179.27 2kbz h ILE 90 N 0.90 1.24 -0.00 4.05 3.07 -1.28 -2.86 117.51 122.62 2kbz h ILE 90 Ca 0.15 -1.04 -0.00 0.00 1.55 0.00 0.00 64.86 65.51 2kbz h ILE 90 Cb 0.63 1.04 -0.00 0.00 -0.27 0.00 0.00 36.82 38.22 2kbz h ILE 90 CO 0.04 0.35 0.00 0.15 -1.05 0.00 0.00 178.15 177.65 2kbz h PHE 91 N 0.59 0.01 0.91 0.16 3.57 -1.32 -0.87 116.94 119.99 2kbz h PHE 91 Ca 0.11 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2kbz h PHE 91 Cb 0.50 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.25 2kbz h PHE 91 CO 0.02 0.06 -0.44 -0.39 -2.23 0.00 0.00 178.31 175.34 2kbz h VAL 92 N -0.06 0.00 -0.53 1.41 -1.51 -0.95 0.10 116.25 114.71 2kbz h VAL 92 Ca 0.00 -0.10 0.10 0.00 -1.23 0.00 0.00 66.70 65.47 2kbz h VAL 92 Cb 0.06 0.00 -0.09 0.00 -2.13 0.00 0.00 31.29 29.14 2kbz h VAL 92 CO -0.00 0.00 0.03 0.00 -1.23 0.00 0.00 177.57 176.37 2kbz h ALA 93 N -1.34 0.53 0.00 5.19 0.00 -1.63 -2.88 119.26 119.13 2kbz h ALA 93 Ca -0.13 0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2kbz h ALA 93 Cb 0.94 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2kbz h ALA 93 CO 0.21 -0.37 -0.67 0.87 0.00 0.00 0.00 179.25 179.29 2kbz h LYS 94 N 0.15 0.00 0.72 0.00 1.57 -1.18 -2.31 116.57 115.52 2kbz h LYS 94 Ca 0.27 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 2kbz h LYS 94 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.73 2kbz h LYS 94 CO -0.43 0.67 -0.34 0.00 -0.57 0.00 0.00 179.45 178.78 2kbz h ALA 95 N 1.33 -0.96 0.00 3.86 0.00 -0.92 -1.83 119.26 120.73 2kbz h ALA 95 Ca -0.01 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 2kbz h ALA 95 Cb 1.32 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 2kbz h ALA 95 CO 0.09 -1.02 -0.74 0.00 0.00 0.00 0.00 179.25 177.58 2kbz h ALA 96 N -0.76 0.64 0.00 0.00 0.00 -1.63 -1.69 119.26 115.82 2kbz h ALA 96 Ca -0.10 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.08 2kbz h ALA 96 Cb 0.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2kbz h ALA 96 CO 0.16 0.92 -0.29 -0.56 0.00 0.00 0.00 179.25 179.49 2kbz h GLN 97 N 0.00 0.00 0.23 0.00 3.07 -1.51 -2.31 115.11 114.60 2kbz h GLN 97 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 2kbz h GLN 97 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.99 2kbz h GLN 97 CO 0.10 0.29 -0.11 0.35 0.09 0.00 0.00 178.83 179.54 2kbz h PHE 98 N 0.00 -0.29 0.12 0.06 3.04 -0.99 -3.35 116.94 115.53 2kbz h PHE 98 Ca -0.00 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2kbz h PHE 98 Cb 0.84 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.45 2kbz h PHE 98 CO 0.00 -0.02 -0.06 -0.92 -2.02 0.00 0.00 178.31 175.29 2kbz h TYR 99 N -1.02 -0.15 0.00 0.41 3.20 -1.46 -3.39 116.97 114.56 2kbz h TYR 99 Ca -0.03 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 2kbz h TYR 99 Cb 0.40 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2kbz h TYR 99 CO 0.04 0.33 -0.32 1.98 -1.64 0.00 0.00 178.16 178.55 2kbz h MET 100 N -0.81 0.00 0.00 1.82 4.05 -1.63 -3.20 114.93 115.16 2kbz h MET 100 Ca -0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2kbz h MET 100 Cb 0.55 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 2kbz h MET 100 CO 0.03 0.32 0.00 -2.37 0.23 0.00 0.00 176.91 175.11 2kbz n THR 101 N -3.78 0.60 0.30 -0.77 5.66 -1.25 -2.67 114.28 112.37 2kbz n THR 101 Ca -0.01 0.15 0.19 0.00 -3.05 0.00 0.00 64.05 61.33 2kbz n THR 101 Cb 0.41 -0.93 0.91 0.00 -1.55 0.00 0.00 70.33 69.16 2kbz n THR 101 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2kbz h ASN 102 N 0.00 0.00 -0.30 1.09 -0.00 -1.80 -2.55 115.58 112.01 2kbz h ASN 102 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2kbz h ASN 102 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.44 2kbz h ASN 102 CO 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 177.43 177.45 2kbz n ALA 103 N -2.12 2.65 1.04 4.14 0.00 -1.09 -0.21 120.51 124.93 2kbz n ALA 103 Ca -0.01 -0.66 0.13 0.00 0.00 0.00 0.00 53.44 52.90 2kbz n ALA 103 Cb 0.20 -1.00 0.36 0.00 0.00 0.00 0.00 19.45 19.02 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 0.79 -1.24 0.92 0.00 0.00 -0.96 -3.47 105.19 101.23 2kbz n GLY 104 Ca 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.41 0.21 -2.11 0.99 -0.00 -0.80 -4.74 117.00 109.14 2kbz n LEU 105 Ca 0.07 0.03 -0.24 0.00 -0.00 0.00 0.00 56.01 55.87 2kbz n LEU 105 Cb 0.33 -0.08 0.15 0.00 -0.00 0.00 0.00 43.42 43.82 2kbz n LEU 105 CO 0.32 0.03 1.22 1.07 -0.00 0.00 0.00 177.39 180.03 2kbz n THR 106 N -3.13 3.21 -0.48 1.47 5.66 0.71 -4.88 114.28 116.85 2kbz n THR 106 Ca -0.05 -2.36 -0.10 0.00 -3.05 0.00 0.00 64.05 58.49 2kbz n THR 106 Cb 0.52 -0.64 -0.04 0.00 -1.55 0.00 0.00 70.33 68.61 2kbz n THR 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kbz n GLY 107 N -1.08 2.25 2.89 1.09 0.00 -1.23 -4.78 105.19 104.33 2kbz n GLY 107 Ca 0.57 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2kbz n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbz n ARG 108 N 3.53 4.16 0.00 1.61 5.12 -1.26 -4.93 116.66 124.88 2kbz n ARG 108 Ca 0.25 -4.58 0.00 0.00 -1.93 0.00 0.00 57.85 51.58 2kbz n ARG 108 Cb 0.25 -2.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.09 2kbz n ARG 108 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2kbz n SER 109 N 1.19 0.00 -2.79 0.55 3.41 -1.26 -4.29 113.62 110.42 2kbz n SER 109 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2kbz n SER 109 Cb 0.34 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.34 2kbz n SER 109 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 2kbz n MET 110 N 2.22 1.68 -0.12 4.33 0.00 -1.26 -4.98 117.12 118.99 2kbz n MET 110 Ca 0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 57.70 54.19 2kbz n MET 110 Cb 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 33.22 31.67 2kbz n MET 110 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 2kbz h ASP 111 N 2.55 -0.74 -1.77 3.17 3.58 -1.88 -2.31 116.42 119.03 2kbz h ASP 111 Ca -0.14 0.16 -0.61 0.00 0.42 0.00 0.00 57.03 56.86 2kbz h ASP 111 Cb 1.29 0.39 -0.41 0.00 1.72 0.00 0.00 39.33 42.33 2kbz h ASP 111 CO 0.18 -0.25 -0.54 0.35 -2.88 0.00 0.00 179.24 176.10 2kbz n THR 112 N -5.39 2.74 0.00 2.25 -2.24 -1.26 -4.57 114.28 105.81 2kbz n THR 112 Ca 0.02 -5.09 0.00 0.00 -2.27 0.00 0.00 64.05 56.71 2kbz n THR 112 Cb 0.30 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 2kbz n THR 112 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2kbz n VAL 113 N -0.41 0.00 -0.30 2.28 0.31 -1.09 -4.72 118.33 114.39 2kbz n VAL 113 Ca 0.38 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.58 2kbz n VAL 113 Cb 0.55 -0.47 0.09 0.00 -0.91 0.00 0.00 33.84 33.10 2kbz n VAL 113 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2kbz n SER 114 N -2.47 3.92 -2.84 4.52 2.88 -0.89 -4.91 113.62 113.82 2kbz n SER 114 Ca 0.00 -2.90 0.00 0.00 -1.33 0.00 0.00 58.87 54.64 2kbz n SER 114 Cb 0.00 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 2kbz n SER 114 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbz n TYR 115 N -0.28 0.00 -3.70 0.66 4.11 -1.26 -5.08 117.16 111.61 2kbz n TYR 115 Ca 0.32 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 58.11 2kbz n TYR 115 Cb 1.04 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 40.26 2kbz n TYR 115 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 2kbz s ASN 116 N -1.00 -0.47 0.00 9.48 3.04 -1.26 -5.03 114.94 119.70 2kbz s ASN 116 Ca 0.00 0.83 0.25 0.00 0.04 0.00 0.00 52.86 53.98 2kbz s ASN 116 Cb 0.00 0.72 1.33 0.00 -1.54 0.00 0.00 41.25 41.75 2kbz s ASN 116 CO 0.00 -0.18 1.85 0.49 -3.04 0.00 0.00 177.10 176.22 2kbz n PHE 117 N 4.15 0.00 1.07 0.43 3.01 -1.26 -0.26 117.46 124.60 2kbz n PHE 117 Ca -0.23 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.36 2kbz n PHE 117 Cb 0.55 -0.22 0.32 0.00 -0.01 0.00 0.00 39.48 40.12 2kbz n PHE 117 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kbz n ALA 118 N -1.22 3.32 -0.01 4.37 0.00 -1.26 -4.54 120.51 121.17 2kbz n ALA 118 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 53.44 53.22 2kbz n ALA 118 Cb 0.17 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 2kbz n ALA 118 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kbz n THR 119 N -1.29 0.09 -3.53 0.00 -2.24 -0.09 -5.10 114.28 102.14 2kbz n THR 119 Ca 0.08 -0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.72 2kbz n THR 119 Cb 0.34 -0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 67.76 2kbz n THR 119 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kbz s GLU 120 N -2.03 0.30 0.26 -0.78 -1.05 0.64 -5.05 118.70 110.99 2kbz s GLU 120 Ca -0.02 0.74 -0.20 0.00 -0.15 0.00 0.00 54.97 55.34 2kbz s GLU 120 Cb 0.01 -0.14 0.02 0.00 -0.44 0.00 0.00 34.13 33.58 2kbz s GLU 120 CO 0.04 -0.44 0.68 0.96 0.95 0.00 0.00 175.26 177.45 2kbz s ILE 121 N 2.54 0.00 0.75 1.83 -0.00 -1.26 -4.49 121.20 120.57 2kbz s ILE 121 Ca 0.05 -0.95 -0.11 0.00 -0.00 0.00 0.00 60.65 59.64 2kbz s ILE 121 Cb -0.14 -1.93 0.04 0.00 -0.00 0.00 0.00 42.46 40.44 2kbz s ILE 121 CO -0.13 -0.00 1.09 -2.16 -0.00 0.00 0.00 174.94 173.74 2kbz s PRO 122 N -3.91 2.39 0.19 0.37 0.04 -1.26 -5.03 135.00 127.79 2kbz s PRO 122 Ca 0.11 1.20 0.21 0.00 0.04 0.00 0.00 61.00 62.56 2kbz s PRO 122 Cb -0.05 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 2kbz s PRO 122 CO 0.05 -1.55 1.04 0.77 0.04 0.00 0.00 177.00 177.36 2kbz h SER 123 N -0.90 0.00 -0.35 6.66 0.02 -2.03 -3.38 113.55 113.57 2kbz h SER 123 Ca -0.44 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.47 2kbz h SER 123 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2kbz h SER 123 CO 0.52 0.13 0.05 0.00 -1.14 0.00 0.00 176.83 176.39 2kbz h THR 124 N 0.00 1.24 0.00 -2.27 1.03 -2.04 -3.08 112.91 107.79 2kbz h THR 124 Ca -0.03 -0.84 -0.08 0.00 -0.01 0.00 0.00 66.41 65.45 2kbz h THR 124 Cb 1.13 1.11 -0.01 0.00 -1.07 0.00 0.00 68.15 69.31 2kbz h THR 124 CO 0.01 0.28 -0.37 0.16 -0.01 0.00 0.00 175.52 175.60 2kbz h ILE 125 N 0.42 0.93 -0.33 0.00 -0.00 -1.99 -3.34 117.51 113.20 2kbz h ILE 125 Ca 0.11 -1.44 0.10 0.00 -0.00 0.00 0.00 64.86 63.63 2kbz h ILE 125 Cb 0.36 1.86 -0.01 0.00 -0.00 0.00 0.00 36.82 39.03 2kbz h ILE 125 CO 0.01 0.36 0.33 0.25 -0.00 0.00 0.00 178.15 179.09 2kbz h LEU 126 N 0.00 0.00 -0.17 0.16 5.85 -1.71 0.46 115.31 119.90 2kbz h LEU 126 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kbz h LEU 126 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2kbz h LEU 126 CO 0.05 0.00 0.00 0.11 -0.34 0.00 0.00 178.44 178.26 2kbz h LYS 127 N 0.00 0.00 0.00 1.25 1.79 -1.72 -3.18 116.57 114.70 2kbz h LYS 127 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2kbz h LYS 127 Cb 0.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2kbz h LYS 127 CO -0.00 0.00 -0.04 1.63 -1.08 0.00 0.00 179.45 179.96 2kbz n LYS 128 N -3.00 0.27 0.06 3.15 4.76 0.16 -3.49 118.16 120.08 2kbz n LYS 128 Ca 0.04 0.21 0.07 0.00 -2.87 0.00 0.00 58.31 55.76 2kbz n LYS 128 Cb 0.49 -1.81 0.50 0.00 -1.84 0.00 0.00 35.03 32.38 2kbz n LYS 128 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2kbz h LEU 129 N 0.00 0.31 0.07 -0.35 7.12 -1.45 -3.37 115.31 117.63 2kbz h LEU 129 Ca 0.00 -0.01 -0.26 0.00 0.13 0.00 0.00 57.88 57.74 2kbz h LEU 129 Cb 0.75 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.79 2kbz h LEU 129 CO 0.00 0.22 -1.25 0.78 -0.13 0.00 0.00 178.44 178.06 2kbz h ASN 130 N 0.36 0.24 0.10 1.25 2.35 -1.74 -3.42 115.58 114.72 2kbz h ASN 130 Ca 0.13 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2kbz h ASN 130 Cb 0.06 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2kbz h ASN 130 CO -0.03 1.22 0.00 -2.65 -1.65 0.00 0.00 177.43 174.32 2kbz n PRO 131 N -3.41 0.05 0.00 0.81 -0.02 -1.26 -4.59 135.00 126.58 2kbz n PRO 131 Ca -0.08 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2kbz n PRO 131 Cb 1.00 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 2kbz n PRO 131 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2kbz n TYR 132 N -1.76 0.00 -2.32 6.00 4.11 -1.26 -5.06 117.16 116.87 2kbz n TYR 132 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2kbz n TYR 132 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.38 2kbz n TYR 132 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 2kbz n ARG 133 N 0.00 0.00 0.00 -3.48 0.63 -1.26 -4.91 116.66 107.64 2kbz n ARG 133 Ca 0.00 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.08 2kbz n ARG 133 Cb 0.00 0.00 0.75 0.00 0.45 0.00 0.00 32.46 33.66 2kbz n ARG 133 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2kbz n LYS 134 N 0.00 0.41 0.00 -0.14 2.85 -1.26 -4.92 118.16 115.10 2kbz n LYS 134 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2kbz n LYS 134 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 2kbz n LYS 134 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2kbz n MET 135 N -1.29 0.00 0.00 -1.58 2.81 -1.26 -4.78 117.12 111.01 2kbz n MET 135 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 2kbz n MET 135 Cb 0.25 -0.27 0.00 0.00 -0.71 0.00 0.00 33.22 32.49 2kbz n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kbz n ALA 136 N 0.00 0.00 0.55 3.04 0.00 -1.26 -5.26 120.51 117.59 2kbz n ALA 136 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2kbz n ALA 136 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2kbz n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04