#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 -0.15 2.61 0.63 -1.26 -4.84 116.66 113.65 2kbz n ARG 40 Ca 0.00 0.46 0.16 0.00 -0.92 0.00 0.00 57.85 57.55 2kbz n ARG 40 Cb 0.00 -0.92 0.53 0.00 0.45 0.00 0.00 32.46 32.52 2kbz n ARG 40 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 2kbz h VAL 41 N 0.00 0.78 0.00 5.15 -1.51 -2.07 -0.67 116.25 117.93 2kbz h VAL 41 Ca 0.00 -0.13 -0.05 0.00 -1.23 0.00 0.00 66.70 65.29 2kbz h VAL 41 Cb 0.00 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 29.53 2kbz h VAL 41 CO 0.00 0.07 -0.23 0.11 -1.23 0.00 0.00 177.57 176.29 2kbz h LYS 42 N 0.37 0.00 -0.18 5.19 1.57 -1.99 -3.31 116.57 118.22 2kbz h LYS 42 Ca 0.37 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.20 2kbz h LYS 42 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2kbz h LYS 42 CO -0.11 0.23 0.25 -0.09 -0.57 0.00 0.00 179.45 179.16 2kbz h ARG 43 N 0.00 0.00 0.06 3.15 2.43 -1.44 0.62 114.38 119.21 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 0.50 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2kbz h ARG 43 CO 0.03 0.00 -0.58 -0.07 -1.51 0.00 0.00 179.97 177.84 2kbz h LEU 44 N 0.00 0.40 0.00 3.80 4.07 -1.77 -3.39 115.31 118.42 2kbz h LEU 44 Ca 0.08 -0.87 0.00 0.00 0.08 0.00 0.00 57.88 57.17 2kbz h LEU 44 Cb 0.59 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2kbz h LEU 44 CO -0.00 1.23 -0.79 -0.07 -1.08 0.00 0.00 178.44 177.73 2kbz h LEU 45 N -0.37 0.00 0.00 1.67 4.07 -1.33 -2.38 115.31 116.97 2kbz h LEU 45 Ca -0.09 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.80 2kbz h LEU 45 Cb 1.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.12 2kbz h LEU 45 CO 0.11 0.03 0.00 -0.24 -1.08 0.00 0.00 178.44 177.27 2kbz n SER 46 N -2.54 0.00 0.00 -0.43 2.88 0.20 -3.16 113.62 110.57 2kbz n SER 46 Ca 0.01 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 2kbz n SER 46 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.75 0.00 -0.81 2.46 3.06 -1.20 -4.75 119.36 117.37 2kbz n ILE 47 Ca 0.08 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.25 2kbz n ILE 47 Cb 0.04 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.14 2kbz n ILE 47 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 2kbz n THR 48 N -0.21 2.58 0.00 9.51 5.66 -0.90 -1.59 114.28 129.33 2kbz n THR 48 Ca 0.00 -1.17 0.00 0.00 -3.05 0.00 0.00 64.05 59.83 2kbz n THR 48 Cb 0.00 -1.72 0.00 0.00 -1.55 0.00 0.00 70.33 67.06 2kbz n THR 48 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2kbz n ASN 49 N 1.85 0.00 0.00 1.09 3.02 -1.26 -4.92 115.26 115.04 2kbz n ASN 49 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 2kbz n ASN 49 Cb 0.70 0.17 0.00 0.00 -0.61 0.00 0.00 39.78 40.04 2kbz n ASN 49 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kbz n ASP 50 N -1.49 0.00 0.04 6.41 8.00 -1.19 -4.73 116.55 123.58 2kbz n ASP 50 Ca 0.00 0.13 -0.02 0.00 0.71 0.00 0.00 54.79 55.61 2kbz n ASP 50 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 2kbz n ASP 50 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 2kbz h LYS 51 N 0.00 0.00 0.00 -1.24 2.10 -1.75 -3.42 116.57 112.26 2kbz h LYS 51 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 2kbz h LYS 51 Cb 0.00 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.20 2kbz h LYS 51 CO 0.00 0.40 -0.58 0.72 -2.00 0.00 0.00 179.45 177.99 2kbz n HIS 52 N -2.99 0.00 0.07 0.07 8.25 -0.62 -4.80 115.22 115.21 2kbz n HIS 52 Ca -0.09 -0.71 0.01 0.00 -0.26 0.00 0.00 57.72 56.68 2kbz n HIS 52 Cb 0.88 -0.15 0.36 0.00 1.12 0.00 0.00 29.99 32.20 2kbz n HIS 52 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2kbz h ASP 53 N 0.56 0.33 -0.04 0.41 3.58 -1.79 0.43 116.42 119.90 2kbz h ASP 53 Ca -0.07 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.26 2kbz h ASP 53 Cb 1.39 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.36 2kbz h ASP 53 CO 0.03 0.45 -0.20 1.05 -2.88 0.00 0.00 179.24 177.69 2kbz h GLU 54 N 0.33 0.21 0.04 0.28 4.11 -1.91 -1.78 114.58 115.86 2kbz h GLU 54 Ca 0.07 -0.17 -0.27 0.00 0.07 0.00 0.00 59.36 59.06 2kbz h GLU 54 Cb 0.35 0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.66 2kbz h GLU 54 CO 0.02 0.82 -1.10 -0.92 0.07 0.00 0.00 179.01 177.89 2kbz h TYR 55 N -0.34 0.99 0.06 2.06 3.20 -1.80 -2.42 116.97 118.72 2kbz h TYR 55 Ca -0.01 -0.57 -0.00 0.00 3.14 0.00 0.00 58.73 61.29 2kbz h TYR 55 Cb 0.85 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2kbz h TYR 55 CO 0.14 1.40 -0.03 1.37 -1.64 0.00 0.00 178.16 179.40 2kbz h LEU 56 N 0.34 -0.07 -1.55 2.82 -0.00 -0.28 -3.25 115.31 113.33 2kbz h LEU 56 Ca -0.14 -0.50 -0.00 0.00 -0.00 0.00 0.00 57.88 57.24 2kbz h LEU 56 Cb 1.76 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 42.41 2kbz h LEU 56 CO 0.21 0.50 0.26 0.71 -0.00 0.00 0.00 178.44 180.11 2kbz h THR 57 N -0.66 1.12 -0.43 0.15 1.35 -1.47 -3.23 112.91 109.74 2kbz h THR 57 Ca -0.01 -0.25 -0.07 0.00 -0.55 0.00 0.00 66.41 65.53 2kbz h THR 57 Cb 0.56 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.48 2kbz h THR 57 CO 0.01 0.12 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.07 2kbz h GLU 58 N 0.57 0.71 -0.73 4.72 3.07 -1.52 -3.15 114.58 118.25 2kbz h GLU 58 Ca 0.15 -0.18 0.10 0.00 -0.50 0.00 0.00 59.36 58.93 2kbz h GLU 58 Cb -0.03 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 27.74 2kbz h GLU 58 CO -0.03 0.73 0.48 0.52 -1.40 0.00 0.00 179.01 179.31 2kbz h MET 59 N 0.66 0.59 0.41 2.33 2.86 -1.58 -3.03 114.93 117.17 2kbz h MET 59 Ca 0.13 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2kbz h MET 59 Cb 0.43 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2kbz h MET 59 CO 0.02 0.39 -0.19 0.28 1.06 0.00 0.00 176.91 178.46 2kbz h VAL 60 N 0.61 0.37 0.00 -2.22 2.07 -1.67 -2.86 116.25 112.55 2kbz h VAL 60 Ca 0.34 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2kbz h VAL 60 Cb 0.50 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2kbz h VAL 60 CO -0.12 0.08 0.33 -0.65 0.02 0.00 0.00 177.57 177.23 2kbz h PRO 61 N -1.00 0.00 -0.85 1.57 0.11 -1.59 0.36 132.00 130.61 2kbz h PRO 61 Ca -0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2kbz h PRO 61 Cb 0.54 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.61 2kbz h PRO 61 CO 0.09 0.00 0.40 -0.07 -0.21 0.00 0.00 178.00 178.22 2kbz h LEU 62 N 0.00 1.11 0.00 2.35 4.07 -1.41 0.09 115.31 121.52 2kbz h LEU 62 Ca 0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 2kbz h LEU 62 Cb 0.66 -0.29 0.00 0.00 1.08 0.00 0.00 40.66 42.12 2kbz h LEU 62 CO 0.00 0.94 -0.00 0.25 -1.08 0.00 0.00 178.44 178.55 2kbz h LEU 63 N 1.21 -0.00 -0.69 1.67 5.85 -0.48 -2.86 115.31 120.01 2kbz h LEU 63 Ca 0.29 -0.75 -0.10 0.00 0.84 0.00 0.00 57.88 58.17 2kbz h LEU 63 Cb 0.12 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2kbz h LEU 63 CO -0.04 0.75 -0.07 -0.37 -0.34 0.00 0.00 178.44 178.37 2kbz h VAL 64 N -0.76 1.26 -0.22 1.05 -1.51 -0.54 -0.02 116.25 115.51 2kbz h VAL 64 Ca -0.00 -1.19 -0.15 0.00 -1.23 0.00 0.00 66.70 64.13 2kbz h VAL 64 Cb 0.75 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 2kbz h VAL 64 CO 0.00 0.42 -0.46 -0.08 -1.23 0.00 0.00 177.57 176.22 2kbz h GLU 65 N 0.86 0.71 0.03 5.19 4.81 -1.13 0.13 114.58 125.17 2kbz h GLU 65 Ca 0.15 -0.46 -0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2kbz h GLU 65 Cb 0.60 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2kbz h GLU 65 CO 0.04 1.09 -0.02 0.27 -0.73 0.00 0.00 179.01 179.66 2kbz h PHE 66 N 0.43 -0.04 -0.28 0.92 -0.00 -1.53 -2.35 116.94 114.09 2kbz h PHE 66 Ca 0.01 -0.00 -0.18 0.00 -0.00 0.00 0.00 57.97 57.80 2kbz h PHE 66 Cb 1.07 0.01 -0.00 0.00 -0.00 0.00 0.00 35.95 37.03 2kbz h PHE 66 CO 0.09 0.22 -0.53 0.00 -0.00 0.00 0.00 178.31 178.09 2kbz h ALA 67 N 0.66 0.54 0.00 12.09 0.00 -1.07 -3.17 119.26 128.31 2kbz h ALA 67 Ca -0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2kbz h ALA 67 Cb 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kbz h ALA 67 CO 0.01 0.68 -0.14 -0.22 0.00 0.00 0.00 179.25 179.58 2kbz h LYS 68 N 0.63 0.00 -0.20 0.00 3.64 -0.86 -3.34 116.57 116.43 2kbz h LYS 68 Ca 0.02 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 2kbz h LYS 68 Cb 1.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2kbz h LYS 68 CO 0.11 0.14 0.39 0.22 -2.27 0.00 0.00 179.45 178.05 2kbz h ASP 69 N 0.00 0.00 0.23 4.20 3.58 -1.38 0.97 116.42 124.01 2kbz h ASP 69 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2kbz h ASP 69 Cb 0.88 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.93 2kbz h ASP 69 CO 0.02 0.00 -0.08 -0.08 -2.88 0.00 0.00 179.24 176.22 2kbz h GLU 70 N 0.00 0.00 -0.67 0.28 4.57 -1.76 -3.38 114.58 113.62 2kbz h GLU 70 Ca 0.10 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2kbz h GLU 70 Cb 0.88 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.46 2kbz h GLU 70 CO -0.00 0.08 0.01 0.00 -1.18 0.00 0.00 179.01 177.92 2kbz n HIS 72 N 0.48 0.00 -4.15 0.00 8.25 -1.26 -4.95 115.22 113.58 2kbz n HIS 72 Ca 0.23 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.40 2kbz n HIS 72 Cb 1.02 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 32.05 2kbz n HIS 72 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2kbz s ASN 73 N 0.52 4.94 0.03 0.41 4.22 -1.26 -5.07 114.94 118.73 2kbz s ASN 73 Ca 0.00 -0.25 0.25 0.00 -2.14 0.00 0.00 52.86 50.72 2kbz s ASN 73 Cb 0.00 -1.13 0.54 0.00 1.28 0.00 0.00 41.25 41.94 2kbz s ASN 73 CO 0.00 0.14 1.45 -0.81 -2.04 0.00 0.00 177.10 175.84 2kbz n PRO 74 N 0.30 0.07 -3.71 3.55 -0.04 -1.26 -4.61 135.00 129.29 2kbz n PRO 74 Ca -0.10 0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.07 2kbz n PRO 74 Cb 0.53 -1.54 0.03 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.64 -1.92 -4.47 0.54 1.16 -1.26 -4.94 117.46 104.93 2kbz n PHE 75 Ca 0.05 0.48 -0.30 0.00 -1.87 0.00 0.00 57.45 55.81 2kbz n PHE 75 Cb 0.36 -3.29 -0.12 0.00 -1.61 0.00 0.00 39.48 34.82 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 -3.38 2.96 0.38 1.97 -1.09 -1.26 -0.59 121.20 120.19 2kbz s ILE 76 Ca 0.39 -1.26 0.08 0.00 -2.23 0.00 0.00 60.65 57.63 2kbz s ILE 76 Cb -0.15 -2.30 -0.06 0.00 -1.58 0.00 0.00 42.46 38.37 2kbz s ILE 76 CO 0.88 0.24 0.09 -0.62 -1.23 0.00 0.00 174.94 174.29 2kbz s ASP 77 N -1.76 4.28 0.00 3.58 2.15 0.13 -4.70 116.67 120.35 2kbz s ASP 77 Ca 0.17 -1.06 0.00 0.00 0.43 0.00 0.00 52.55 52.09 2kbz s ASP 77 Cb -0.11 -0.51 0.00 0.00 -0.30 0.00 0.00 42.92 42.00 2kbz s ASP 77 CO 0.08 -0.39 0.80 0.29 -0.17 0.00 0.00 175.17 175.79 2kbz n LYS 78 N -1.08 0.00 0.00 4.34 5.02 -1.26 -0.44 118.16 124.74 2kbz n LYS 78 Ca -0.03 0.32 0.08 0.00 -2.02 0.00 0.00 58.31 56.65 2kbz n LYS 78 Cb 0.64 -1.54 0.05 0.00 -0.02 0.00 0.00 35.03 34.17 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 -1.30 2.17 -0.35 4.39 2.03 -1.26 -4.98 116.55 117.24 2kbz n ASP 79 Ca 0.00 -1.59 -0.03 0.00 0.52 0.00 0.00 54.79 53.69 2kbz n ASP 79 Cb 0.04 0.07 -0.01 0.00 -0.72 0.00 0.00 41.12 40.50 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 0.90 0.36 3.89 0.27 0.00 0.42 -5.06 105.19 105.97 2kbz n GLY 80 Ca 0.09 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.88 5.01 0.59 1.61 0.01 -1.25 -4.84 114.94 113.19 2kbz s ASN 81 Ca 0.00 -0.81 -0.17 0.00 -0.71 0.00 0.00 52.86 51.17 2kbz s ASN 81 Cb 0.00 -0.41 -0.03 0.00 0.41 0.00 0.00 41.25 41.21 2kbz s ASN 81 CO 0.00 -0.74 1.11 -1.83 -1.51 0.00 0.00 177.10 174.12 2kbz s GLU 82 N -4.18 3.17 -0.39 -0.60 1.03 -1.26 0.17 118.70 116.64 2kbz s GLU 82 Ca 0.47 1.45 -0.10 0.00 0.03 0.00 0.00 54.97 56.83 2kbz s GLU 82 Cb -0.03 -1.99 0.05 0.00 -0.80 0.00 0.00 34.13 31.35 2kbz s GLU 82 CO 0.28 -0.97 0.22 0.45 -1.33 0.00 0.00 175.26 173.91 2kbz s SER 83 N -2.23 5.66 -0.62 0.83 0.15 0.25 -4.57 113.70 113.16 2kbz s SER 83 Ca 0.69 -1.21 0.03 0.00 0.70 0.00 0.00 55.95 56.17 2kbz s SER 83 Cb -0.21 -2.00 0.15 0.00 -1.71 0.00 0.00 66.02 62.26 2kbz s SER 83 CO 0.33 -0.44 0.40 -0.63 1.20 0.00 0.00 173.24 174.10 2kbz s ILE 84 N 1.49 2.92 0.99 6.45 1.01 -1.26 -4.91 121.20 127.89 2kbz s ILE 84 Ca 0.02 -3.70 -0.12 0.00 0.00 0.00 0.00 60.65 56.85 2kbz s ILE 84 Cb -0.21 -2.95 0.19 0.00 0.01 0.00 0.00 42.46 39.50 2kbz s ILE 84 CO 0.05 -0.90 1.08 -2.16 0.00 0.00 0.00 174.94 173.01 2kbz s PRO 85 N -0.79 0.46 0.52 2.79 0.04 -1.26 -4.63 135.00 132.12 2kbz s PRO 85 Ca 0.21 0.70 0.34 0.00 0.04 0.00 0.00 61.00 62.28 2kbz s PRO 85 Cb -0.16 -1.73 1.48 0.00 0.04 0.00 0.00 34.50 34.13 2kbz s PRO 85 CO -0.07 -2.76 1.79 0.77 0.04 0.00 0.00 177.00 176.77 2kbz h SER 86 N -1.92 0.08 -0.01 6.66 0.02 -1.98 -1.26 113.55 115.15 2kbz h SER 86 Ca -0.54 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.27 2kbz h SER 86 Cb 1.31 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.87 2kbz h SER 86 CO 0.55 0.01 -0.59 1.23 -1.14 0.00 0.00 176.83 176.88 2kbz h GLY 87 N 0.07 0.47 2.00 -3.77 0.00 -1.90 -2.69 103.07 97.25 2kbz h GLY 87 Ca 0.58 -0.81 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2kbz h GLY 87 CO -0.07 0.71 -0.16 -0.39 0.00 0.00 0.00 176.54 176.64 2kbz h VAL 88 N -0.07 0.41 -0.20 4.60 -1.51 -1.59 -2.82 116.25 115.07 2kbz h VAL 88 Ca -0.07 -0.95 -0.09 0.00 -1.23 0.00 0.00 66.70 64.35 2kbz h VAL 88 Cb 1.30 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 32.15 2kbz h VAL 88 CO 0.12 0.16 -0.24 0.25 -1.23 0.00 0.00 177.57 176.63 2kbz h LEU 89 N 0.00 0.56 -1.65 4.19 6.46 -1.34 -0.71 115.31 122.83 2kbz h LEU 89 Ca -0.00 -0.49 -0.04 0.00 -0.12 0.00 0.00 57.88 57.22 2kbz h LEU 89 Cb 0.68 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 2kbz h LEU 89 CO 0.02 0.94 -0.20 -0.29 -0.62 0.00 0.00 178.44 178.29 2kbz h ILE 90 N 0.19 0.93 0.54 4.05 2.10 -1.38 -2.33 117.51 121.62 2kbz h ILE 90 Ca 0.03 -0.75 -0.03 0.00 1.08 0.00 0.00 64.86 65.19 2kbz h ILE 90 Cb 0.80 1.43 0.01 0.00 -1.09 0.00 0.00 36.82 37.96 2kbz h ILE 90 CO 0.06 0.20 -0.26 0.15 -1.08 0.00 0.00 178.15 177.22 2kbz h PHE 91 N 0.00 -0.67 0.11 2.19 3.57 -1.43 -2.84 116.94 117.87 2kbz h PHE 91 Ca -0.00 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.49 2kbz h PHE 91 Cb 0.41 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 2kbz h PHE 91 CO 0.00 -0.36 -0.46 -0.39 -2.23 0.00 0.00 178.31 174.86 2kbz h VAL 92 N -1.10 0.00 0.03 1.41 -1.51 -0.80 -0.25 116.25 114.03 2kbz h VAL 92 Ca -0.07 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.42 2kbz h VAL 92 Cb 0.61 0.00 -0.05 0.00 -2.13 0.00 0.00 31.29 29.72 2kbz h VAL 92 CO 0.12 0.00 -0.42 0.00 -1.23 0.00 0.00 177.57 176.04 2kbz h ALA 93 N -0.68 -0.69 0.00 5.19 0.00 -1.64 -2.93 119.26 118.51 2kbz h ALA 93 Ca -0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2kbz h ALA 93 Cb 0.67 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 2kbz h ALA 93 CO -0.25 -0.96 -0.61 0.87 0.00 0.00 0.00 179.25 178.30 2kbz h LYS 94 N -0.60 0.00 0.73 0.00 1.57 -1.49 -2.84 116.57 113.95 2kbz h LYS 94 Ca 0.04 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2kbz h LYS 94 Cb 0.66 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.98 2kbz h LYS 94 CO -0.30 0.61 -0.35 0.00 -0.57 0.00 0.00 179.45 178.84 2kbz h ALA 95 N 1.39 -0.98 0.00 3.86 0.00 -1.03 -2.22 119.26 120.28 2kbz h ALA 95 Ca -0.01 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 2kbz h ALA 95 Cb 1.25 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 2kbz h ALA 95 CO 0.08 -1.04 -0.85 0.00 0.00 0.00 0.00 179.25 177.43 2kbz h ALA 96 N -0.71 0.50 -0.58 0.00 0.00 -1.65 -2.85 119.26 113.96 2kbz h ALA 96 Ca -0.10 -0.78 0.04 0.00 0.00 0.00 0.00 54.91 54.08 2kbz h ALA 96 Cb 0.75 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2kbz h ALA 96 CO 0.16 1.07 0.39 0.37 0.00 0.00 0.00 179.25 181.24 2kbz h GLN 97 N 0.00 0.62 0.22 0.00 4.15 -1.55 0.24 115.11 118.80 2kbz h GLN 97 Ca -0.01 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2kbz h GLN 97 Cb 1.60 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.15 2kbz h GLN 97 CO 0.11 0.41 -0.10 0.35 -1.93 0.00 0.00 178.83 177.67 2kbz h PHE 98 N 0.64 -0.27 -0.08 3.99 3.04 -1.43 -3.41 116.94 119.43 2kbz h PHE 98 Ca 0.24 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.12 2kbz h PHE 98 Cb 0.14 0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.75 2kbz h PHE 98 CO -0.00 0.06 -0.22 -0.92 -2.02 0.00 0.00 178.31 175.21 2kbz h TYR 99 N -0.97 0.36 0.00 0.41 3.20 -1.33 -3.37 116.97 115.26 2kbz h TYR 99 Ca -0.03 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 61.63 2kbz h TYR 99 Cb 0.45 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2kbz h TYR 99 CO 0.06 0.83 -0.31 0.00 -1.64 0.00 0.00 178.16 177.10 2kbz h MET 100 N -0.21 0.00 -0.74 1.82 -0.00 -1.22 -1.27 114.93 113.31 2kbz h MET 100 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 59.70 59.83 2kbz h MET 100 Cb 0.83 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.38 2kbz h MET 100 CO 0.05 0.31 0.49 1.15 -0.00 0.00 0.00 176.91 178.91 2kbz h THR 101 N 0.00 0.84 0.01 -0.10 2.02 -1.73 -3.19 112.91 110.76 2kbz h THR 101 Ca -0.00 -0.16 -0.35 0.00 0.77 0.00 0.00 66.41 66.66 2kbz h THR 101 Cb 0.69 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 2kbz h THR 101 CO 0.04 0.09 -1.95 -0.46 0.37 0.00 0.00 175.52 173.60 2kbz n ASN 102 N -4.49 1.93 -2.03 4.18 6.94 -1.06 -4.84 115.26 115.90 2kbz n ASN 102 Ca 0.14 0.33 0.00 0.00 -0.02 0.00 0.00 54.58 55.03 2kbz n ASN 102 Cb 0.47 -0.86 0.00 0.00 -2.36 0.00 0.00 39.78 37.03 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 -3.73 0.73 0.03 -2.53 0.00 -0.50 -4.17 120.51 110.32 2kbz n ALA 103 Ca -0.43 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.10 2kbz n ALA 103 Cb 0.82 -0.86 0.27 0.00 0.00 0.00 0.00 19.45 19.68 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 1.31 1.90 0.92 0.00 0.00 -1.26 -2.62 105.19 105.44 2kbz n GLY 104 Ca 0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 1.09 0.54 0.10 0.99 -0.00 -1.26 -4.84 117.00 113.62 2kbz n LEU 105 Ca 0.20 0.07 -0.20 0.00 -0.00 0.00 0.00 56.01 56.08 2kbz n LEU 105 Cb 0.58 -0.20 -0.15 0.00 -0.00 0.00 0.00 43.42 43.65 2kbz n LEU 105 CO 0.16 -0.59 -0.30 0.00 -0.00 0.00 0.00 177.39 176.66 2kbz h THR 106 N -0.05 1.21 0.00 1.47 1.03 -1.89 -3.33 112.91 111.35 2kbz h THR 106 Ca 0.00 -2.76 0.00 0.00 -0.01 0.00 0.00 66.41 63.64 2kbz h THR 106 Cb 0.05 2.88 0.00 0.00 -1.07 0.00 0.00 68.15 70.01 2kbz h THR 106 CO 0.00 0.84 0.00 0.61 -0.01 0.00 0.00 175.52 176.96 2kbz n GLY 107 N 1.70 1.80 3.17 2.99 0.00 -1.08 -4.63 105.19 109.14 2kbz n GLY 107 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 2kbz n GLY 107 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kbz s ARG 108 N 0.21 0.33 0.00 1.61 3.52 -1.25 -4.79 118.95 118.58 2kbz s ARG 108 Ca 0.00 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 2kbz s ARG 108 Cb 0.00 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 2kbz s ARG 108 CO 0.00 -0.06 0.00 -1.13 -0.81 0.00 0.00 175.30 173.30 2kbz n SER 109 N 3.17 0.00 -1.61 -2.12 3.41 -1.26 -4.40 113.62 110.81 2kbz n SER 109 Ca -0.15 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.44 2kbz n SER 109 Cb 0.57 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 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 -2.00 -0.34 -2.19 4.33 2.81 -1.26 -5.01 117.12 113.46 2kbz n MET 110 Ca 0.00 0.10 -0.41 0.00 -1.81 0.00 0.00 57.70 55.57 2kbz n MET 110 Cb 0.00 -2.15 0.00 0.00 -0.71 0.00 0.00 33.22 30.36 2kbz n MET 110 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2kbz n ASP 111 N -1.60 6.33 0.00 7.83 8.00 -1.26 -4.24 116.55 131.60 2kbz n ASP 111 Ca -0.01 -3.12 0.00 0.00 0.71 0.00 0.00 54.79 52.37 2kbz n ASP 111 Cb 0.51 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 2kbz n ASP 111 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2kbz n THR 112 N 2.66 0.00 0.00 -3.53 -1.04 -1.26 -4.83 114.28 106.28 2kbz n THR 112 Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 2kbz n THR 112 Cb 0.31 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 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 -1.76 12.58 3.14 -1.26 -4.92 118.33 126.12 2kbz n VAL 113 Ca 0.00 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.22 2kbz n VAL 113 Cb 0.00 0.00 0.10 0.00 -1.06 0.00 0.00 33.84 32.88 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 0.00 4.14 -0.21 6.55 7.64 -1.26 -4.93 113.62 125.55 2kbz n SER 114 Ca 0.00 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 56.08 2kbz n SER 114 Cb 0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2kbz n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kbz n TYR 115 N -0.89 0.00 0.00 1.43 4.11 -1.26 -0.52 117.16 120.02 2kbz n TYR 115 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.29 2kbz n TYR 115 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.24 2kbz n TYR 115 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2kbz n ASN 116 N -0.05 0.00 -0.04 9.48 3.02 -1.26 -4.43 115.26 121.98 2kbz n ASN 116 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 2kbz n ASN 116 Cb 0.00 0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 2kbz n ASN 116 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2kbz h PHE 117 N 0.00 -0.03 0.11 3.10 -0.00 -1.70 -2.97 116.94 115.45 2kbz h PHE 117 Ca 0.00 -0.00 -0.34 0.00 -0.00 0.00 0.00 57.97 57.63 2kbz h PHE 117 Cb 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 35.95 35.94 2kbz h PHE 117 CO 0.00 0.43 -1.85 0.00 -0.00 0.00 0.00 178.31 176.89 2kbz h ALA 118 N -0.51 0.38 0.00 12.09 0.00 -1.18 -3.39 119.26 126.66 2kbz h ALA 118 Ca -0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 54.91 53.52 2kbz h ALA 118 Cb 0.48 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2kbz h ALA 118 CO 0.01 1.19 -0.57 1.79 0.00 0.00 0.00 179.25 181.66 2kbz h THR 119 N -0.09 0.30 0.00 0.00 1.35 -1.62 -3.49 112.91 109.35 2kbz h THR 119 Ca -0.40 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 2kbz h THR 119 Cb 1.93 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 70.35 2kbz h THR 119 CO 0.05 0.17 0.00 -0.62 -0.25 0.00 0.00 175.52 174.87 2kbz n GLU 120 N -3.00 0.00 0.00 4.72 -0.58 -1.19 -4.85 120.64 115.73 2kbz n GLU 120 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2kbz n GLU 120 Cb 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.50 2kbz n GLU 120 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2kbz n ILE 121 N -0.63 0.00 -2.27 -3.67 -0.00 -1.13 -4.31 119.36 107.36 2kbz n ILE 121 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 62.75 62.34 2kbz n ILE 121 Cb 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 39.64 39.43 2kbz n ILE 121 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2kbz s PRO 122 N 3.73 4.43 0.61 6.28 0.04 -1.26 -4.94 135.00 143.88 2kbz s PRO 122 Ca 0.00 2.00 0.40 0.00 0.04 0.00 0.00 61.00 63.44 2kbz s PRO 122 Cb 0.00 -3.20 2.19 0.00 0.04 0.00 0.00 34.50 33.53 2kbz s PRO 122 CO 0.00 -0.18 2.24 0.77 0.04 0.00 0.00 177.00 179.86 2kbz h SER 123 N 5.16 0.00 -0.07 6.66 0.02 -2.00 -2.80 113.55 120.53 2kbz h SER 123 Ca -0.45 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.37 2kbz h SER 123 Cb 1.21 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.76 2kbz h SER 123 CO 0.75 0.00 -0.45 0.00 -1.14 0.00 0.00 176.83 175.99 2kbz h THR 124 N 0.00 1.41 0.00 -2.27 1.03 -2.03 -3.30 112.91 107.75 2kbz h THR 124 Ca 0.00 -1.85 -0.09 0.00 -0.01 0.00 0.00 66.41 64.45 2kbz h THR 124 Cb 0.02 2.35 -0.01 0.00 -1.07 0.00 0.00 68.15 69.43 2kbz h THR 124 CO 0.00 0.54 -0.45 0.40 -0.01 0.00 0.00 175.52 176.00 2kbz h ILE 125 N -0.04 1.12 -0.08 0.00 1.08 -1.90 -3.25 117.51 114.44 2kbz h ILE 125 Ca -0.04 -1.66 0.02 0.00 -0.39 0.00 0.00 64.86 62.80 2kbz h ILE 125 Cb 1.12 1.95 -0.00 0.00 -3.07 0.00 0.00 36.82 36.81 2kbz h ILE 125 CO 0.09 0.44 0.08 0.25 -0.69 0.00 0.00 178.15 178.32 2kbz h LEU 126 N 0.00 0.00 -0.50 1.44 5.85 -1.61 0.13 115.31 120.62 2kbz h LEU 126 Ca -0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 2kbz h LEU 126 Cb 0.91 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2kbz h LEU 126 CO 0.06 0.00 -0.62 0.11 -0.34 0.00 0.00 178.44 177.64 2kbz h LYS 127 N 0.00 0.45 0.00 1.25 1.57 -1.66 -2.94 116.57 115.23 2kbz h LYS 127 Ca 0.04 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2kbz h LYS 127 Cb 0.19 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2kbz h LYS 127 CO -0.00 0.93 0.00 1.63 -0.57 0.00 0.00 179.45 181.44 2kbz n LYS 128 N -3.90 0.13 0.01 3.15 4.01 0.39 -2.58 118.16 119.37 2kbz n LYS 128 Ca -0.04 0.41 0.11 0.00 -0.51 0.00 0.00 58.31 58.29 2kbz n LYS 128 Cb 0.64 -1.77 0.55 0.00 -0.51 0.00 0.00 35.03 33.94 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 -0.98 -0.35 7.12 -1.20 -3.36 115.31 116.80 2kbz h LEU 129 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2kbz h LEU 129 Cb 0.28 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.36 2kbz h LEU 129 CO 0.00 0.16 -0.27 0.59 -0.13 0.00 0.00 178.44 178.79 2kbz n ASN 130 N -4.47 1.79 0.00 1.25 3.02 -1.07 -4.52 115.26 111.26 2kbz n ASN 130 Ca 0.06 -1.39 0.10 0.00 -0.03 0.00 0.00 54.58 53.33 2kbz n ASN 130 Cb 0.32 0.23 0.50 0.00 -0.61 0.00 0.00 39.78 40.21 2kbz n ASN 130 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2kbz n PRO 131 N 0.02 0.14 0.00 3.52 -0.04 -1.26 -4.63 135.00 132.75 2kbz n PRO 131 Ca 0.12 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2kbz n PRO 131 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2kbz n PRO 131 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2kbz n TYR 132 N -1.41 0.00 -3.56 0.54 0.18 -1.26 -4.77 117.16 106.89 2kbz n TYR 132 Ca 0.07 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.45 2kbz n TYR 132 Cb 0.22 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.07 2kbz n TYR 132 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 2kbz s ARG 133 N 0.00 3.13 0.00 -3.48 3.00 -1.26 -4.45 118.95 115.89 2kbz s ARG 133 Ca 0.00 -0.88 0.00 0.00 -1.00 0.00 0.00 55.73 53.85 2kbz s ARG 133 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 34.95 31.17 2kbz s ARG 133 CO 0.00 -0.59 0.00 1.17 0.00 0.00 0.00 175.30 175.88 2kbz n LYS 134 N 5.06 0.00 0.00 5.12 0.00 -1.26 -5.02 118.16 122.06 2kbz n LYS 134 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.19 2kbz n LYS 134 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.51 2kbz n LYS 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2kbz n MET 135 N 0.00 0.00 0.00 1.64 2.81 -1.26 -4.88 117.12 115.43 2kbz n MET 135 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2kbz n MET 135 Cb 0.00 -0.12 0.00 0.00 -0.71 0.00 0.00 33.22 32.39 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 -1.32 3.04 0.00 -1.26 -5.01 120.51 115.96 2kbz n ALA 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kbz n ALA 136 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kbz n ALA 136 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39