#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbz s ARG 40 N 0.00 1.89 0.38 -1.09 1.81 -1.26 -5.05 118.95 115.62 2kbz s ARG 40 Ca 0.00 -0.99 0.06 0.00 -1.72 0.00 0.00 55.73 53.08 2kbz s ARG 40 Cb 0.00 -1.94 0.74 0.00 -0.45 0.00 0.00 34.95 33.30 2kbz s ARG 40 CO 0.00 0.52 1.97 -0.24 -0.68 0.00 0.00 175.30 176.86 2kbz h VAL 41 N 4.38 1.15 0.00 3.52 3.04 -2.07 -2.72 116.25 123.54 2kbz h VAL 41 Ca -0.44 -0.50 -0.07 0.00 -1.01 0.00 0.00 66.70 64.69 2kbz h VAL 41 Cb 1.13 0.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 2kbz h VAL 41 CO 0.45 0.19 -0.31 0.07 -1.01 0.00 0.00 177.57 176.96 2kbz h LYS 42 N 0.51 0.00 0.00 4.17 2.10 -2.00 -3.28 116.57 118.08 2kbz h LYS 42 Ca 0.12 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.75 2kbz h LYS 42 Cb 0.14 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2kbz h LYS 42 CO -0.01 0.31 -0.09 0.00 -2.00 0.00 0.00 179.45 177.66 2kbz h ARG 43 N 0.00 0.00 -0.02 0.07 2.47 -1.89 0.57 114.38 115.57 2kbz h ARG 43 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2kbz h ARG 43 Cb 0.64 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.96 2kbz h ARG 43 CO 0.04 0.09 0.00 -0.07 0.56 0.00 0.00 179.97 180.60 2kbz h LEU 44 N 0.00 0.03 0.00 3.04 4.07 -1.73 -3.29 115.31 117.43 2kbz h LEU 44 Ca -0.00 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.65 2kbz h LEU 44 Cb 0.36 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2kbz h LEU 44 CO 0.01 0.33 -1.24 0.00 -1.08 0.00 0.00 178.44 176.46 2kbz n LEU 45 N -4.92 0.57 0.25 1.67 -0.00 -1.12 -1.60 117.00 111.85 2kbz n LEU 45 Ca -0.08 0.13 0.12 0.00 -0.00 0.00 0.00 56.01 56.19 2kbz n LEU 45 Cb 0.17 -0.06 0.59 0.00 -0.00 0.00 0.00 43.42 44.13 2kbz n LEU 45 CO 0.34 -0.06 0.89 0.28 -0.00 0.00 0.00 177.39 178.83 2kbz h SER 46 N 0.00 0.00 0.00 1.45 0.02 -0.00 0.14 113.55 115.16 2kbz h SER 46 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kbz h SER 46 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2kbz h SER 46 CO 0.00 0.16 0.00 -0.38 -1.14 0.00 0.00 176.83 175.47 2kbz n ILE 47 N -3.42 0.00 -1.88 3.27 5.41 -1.24 -3.55 119.36 117.95 2kbz n ILE 47 Ca -0.01 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.33 2kbz n ILE 47 Cb 0.34 -0.73 -0.00 0.00 -0.71 0.00 0.00 39.64 38.54 2kbz n ILE 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2kbz n THR 48 N -1.00 4.09 0.00 1.39 -1.04 -0.62 -1.82 114.28 115.28 2kbz n THR 48 Ca 0.00 -3.53 0.00 0.00 -2.04 0.00 0.00 64.05 58.48 2kbz n THR 48 Cb 0.00 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.04 2kbz n THR 48 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2kbz n ASN 49 N 4.45 0.00 0.00 8.00 3.02 -1.24 -4.56 115.26 124.92 2kbz n ASN 49 Ca 0.54 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 2kbz n ASN 49 Cb 0.34 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 2kbz n ASN 49 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kbz n ASP 50 N 0.00 0.00 0.01 6.41 2.03 0.50 -4.84 116.55 120.66 2kbz n ASP 50 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 2kbz n ASP 50 Cb 0.00 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 40.69 2kbz n ASP 50 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kbz n LYS 51 N 0.00 0.05 -0.82 -0.67 5.02 -1.23 -4.45 118.16 116.06 2kbz n LYS 51 Ca 0.00 0.02 0.05 0.00 -2.02 0.00 0.00 58.31 56.35 2kbz n LYS 51 Cb 0.00 -1.53 0.10 0.00 -0.02 0.00 0.00 35.03 33.58 2kbz n LYS 51 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2kbz n HIS 52 N -1.60 0.00 -0.13 2.13 8.25 -0.91 -4.77 115.22 118.18 2kbz n HIS 52 Ca 0.05 -0.85 -0.12 0.00 -0.26 0.00 0.00 57.72 56.55 2kbz n HIS 52 Cb 0.35 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 2kbz n HIS 52 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 2kbz h ASP 53 N 0.69 1.01 -0.08 0.41 2.03 -1.58 -1.40 116.42 117.51 2kbz h ASP 53 Ca -0.08 -0.43 -0.22 0.00 -0.73 0.00 0.00 57.03 55.57 2kbz h ASP 53 Cb 1.37 -0.28 0.01 0.00 -0.83 0.00 0.00 39.33 39.60 2kbz h ASP 53 CO 0.03 1.23 -0.76 1.05 -1.03 0.00 0.00 179.24 179.77 2kbz h GLU 54 N 0.80 0.73 0.00 4.15 4.11 -1.89 -3.34 114.58 119.15 2kbz h GLU 54 Ca 0.08 -0.59 -0.19 0.00 0.07 0.00 0.00 59.36 58.73 2kbz h GLU 54 Cb 0.91 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2kbz h GLU 54 CO 0.08 1.20 -0.86 -0.92 0.07 0.00 0.00 179.01 178.58 2kbz h TYR 55 N 0.50 0.22 -0.01 2.06 3.20 -1.85 -3.33 116.97 117.75 2kbz h TYR 55 Ca -0.05 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 2kbz h TYR 55 Cb 1.38 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.62 2kbz h TYR 55 CO 0.08 0.94 0.00 1.25 -1.64 0.00 0.00 178.16 178.78 2kbz h LEU 56 N 0.08 0.02 -1.01 2.82 6.46 -1.36 -3.25 115.31 119.06 2kbz h LEU 56 Ca -0.04 -0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 57.42 2kbz h LEU 56 Cb 1.49 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.38 2kbz h LEU 56 CO 0.13 0.29 0.35 0.71 -0.62 0.00 0.00 178.44 179.30 2kbz h THR 57 N -0.26 1.23 -0.71 1.05 1.35 -1.73 -3.32 112.91 110.52 2kbz h THR 57 Ca 0.00 -0.66 0.15 0.00 -0.55 0.00 0.00 66.41 65.35 2kbz h THR 57 Cb 0.29 0.29 -0.11 0.00 -1.73 0.00 0.00 68.15 66.89 2kbz h THR 57 CO 0.00 0.28 0.16 -0.33 -0.25 0.00 0.00 175.52 175.38 2kbz h GLU 58 N 1.05 0.25 -0.90 4.72 5.08 -1.67 -2.39 114.58 120.73 2kbz h GLU 58 Ca 0.26 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.78 2kbz h GLU 58 Cb 0.11 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 2kbz h GLU 58 CO -0.03 0.17 0.58 0.00 -1.00 0.00 0.00 179.01 178.73 2kbz h MET 59 N 0.26 0.49 0.23 2.33 -0.00 -1.66 -2.96 114.93 113.62 2kbz h MET 59 Ca 0.40 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 60.05 2kbz h MET 59 Cb 0.66 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 2kbz h MET 59 CO -0.50 0.32 -0.11 0.28 -0.00 0.00 0.00 176.91 176.91 2kbz h VAL 60 N 0.50 0.44 0.00 -0.10 2.07 -1.58 -2.88 116.25 114.71 2kbz h VAL 60 Ca 0.47 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2kbz h VAL 60 Cb 1.02 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2kbz h VAL 60 CO -0.20 0.12 0.36 -0.65 0.02 0.00 0.00 177.57 177.22 2kbz h PRO 61 N -0.99 0.00 -0.12 1.57 0.11 -1.55 0.30 132.00 131.33 2kbz h PRO 61 Ca -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2kbz h PRO 61 Cb 0.43 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 2kbz h PRO 61 CO 0.05 0.00 0.01 -0.07 -0.21 0.00 0.00 178.00 177.78 2kbz h LEU 62 N 0.00 0.19 0.28 2.35 4.07 -1.54 -2.11 115.31 118.56 2kbz h LEU 62 Ca 0.00 -0.29 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 2kbz h LEU 62 Cb 0.71 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.41 2kbz h LEU 62 CO 0.00 0.44 -0.13 0.25 -1.08 0.00 0.00 178.44 177.91 2kbz h LEU 63 N -0.05 -0.32 -0.50 1.67 5.85 -0.52 -2.83 115.31 118.61 2kbz h LEU 63 Ca 0.03 -0.21 -0.16 0.00 0.84 0.00 0.00 57.88 58.38 2kbz h LEU 63 Cb 0.33 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2kbz h LEU 63 CO 0.00 0.14 -0.75 1.62 -0.34 0.00 0.00 178.44 179.12 2kbz h VAL 64 N -0.89 1.51 0.01 1.05 3.04 -0.74 -2.80 116.25 117.42 2kbz h VAL 64 Ca -0.04 -2.48 -0.20 0.00 -1.01 0.00 0.00 66.70 62.97 2kbz h VAL 64 Cb 0.51 2.34 -0.03 0.00 -2.01 0.00 0.00 31.29 32.11 2kbz h VAL 64 CO 0.06 0.71 -0.96 -0.33 -1.01 0.00 0.00 177.57 176.04 2kbz h GLU 65 N 0.04 0.02 -0.59 4.17 4.39 -1.54 0.38 114.58 121.44 2kbz h GLU 65 Ca -0.01 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.77 2kbz h GLU 65 Cb 1.32 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.89 2kbz h GLU 65 CO 0.10 0.96 0.11 0.35 -1.16 0.00 0.00 179.01 179.38 2kbz h PHE 66 N 0.01 0.18 0.43 4.33 3.04 -1.53 -2.53 116.94 120.86 2kbz h PHE 66 Ca -0.02 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 2kbz h PHE 66 Cb 1.69 0.01 0.00 0.00 2.56 0.00 0.00 35.95 40.22 2kbz h PHE 66 CO 0.00 -0.04 -0.20 0.00 -2.02 0.00 0.00 178.31 176.05 2kbz h ALA 67 N 1.48 -0.57 -0.17 2.41 0.00 -1.42 -3.35 119.26 117.64 2kbz h ALA 67 Ca 0.31 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2kbz h ALA 67 Cb 0.46 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kbz h ALA 67 CO -0.41 -0.58 0.37 -0.22 0.00 0.00 0.00 179.25 178.41 2kbz h LYS 68 N -1.05 0.00 0.00 0.00 3.11 -0.23 -1.07 116.57 117.33 2kbz h LYS 68 Ca -0.06 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 2kbz h LYS 68 Cb 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.76 2kbz h LYS 68 CO 0.10 0.00 -0.06 0.22 -2.81 0.00 0.00 179.45 176.90 2kbz h ASP 69 N 0.00 0.00 0.30 4.20 3.58 -1.59 -3.11 116.42 119.80 2kbz h ASP 69 Ca 0.08 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.31 2kbz h ASP 69 Cb 0.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2kbz h ASP 69 CO -0.00 0.06 -0.92 1.05 -2.88 0.00 0.00 179.24 176.54 2kbz h GLU 70 N 0.00 0.43 -0.61 0.28 -0.00 -1.41 -3.41 114.58 109.86 2kbz h GLU 70 Ca -0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 2kbz h GLU 70 Cb 0.19 0.12 0.00 0.00 -0.00 0.00 0.00 28.75 29.07 2kbz h GLU 70 CO 0.01 1.11 0.00 0.00 -0.00 0.00 0.00 179.01 180.12 2kbz n HIS 72 N 0.30 0.00 -4.00 0.00 -0.00 -1.26 -4.73 115.22 105.53 2kbz n HIS 72 Ca 0.00 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 2kbz n HIS 72 Cb 0.14 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.87 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 -0.75 0.29 -0.24 0.26 6.03 -1.26 -5.06 114.94 114.21 2kbz s ASN 73 Ca 0.00 -0.04 -0.05 0.00 -1.03 0.00 0.00 52.86 51.74 2kbz s ASN 73 Cb 0.00 -0.05 -0.09 0.00 -3.03 0.00 0.00 41.25 38.08 2kbz s ASN 73 CO 0.00 0.02 3.17 -0.81 -2.03 0.00 0.00 177.10 177.45 2kbz n PRO 74 N 3.12 2.21 -0.01 3.55 -0.04 -1.26 -4.43 135.00 138.13 2kbz n PRO 74 Ca -0.14 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 2kbz n PRO 74 Cb 0.58 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 0.00 -3.39 0.54 1.16 -1.26 -4.91 117.46 111.24 2kbz n PHE 75 Ca 0.46 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.66 2kbz n PHE 75 Cb 0.72 -0.52 -0.06 0.00 -1.61 0.00 0.00 39.48 38.01 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 -0.02 4.88 0.00 1.97 1.01 -1.26 -0.90 121.20 126.89 2kbz s ILE 76 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.63 2kbz s ILE 76 Cb 0.00 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2kbz s ILE 76 CO 0.00 0.51 0.00 0.47 0.00 0.00 0.00 174.94 175.92 2kbz n ASP 77 N 1.59 1.56 0.28 3.58 8.00 -0.88 -4.98 116.55 125.70 2kbz n ASP 77 Ca -0.11 -0.27 0.14 0.00 0.71 0.00 0.00 54.79 55.26 2kbz n ASP 77 Cb 0.52 0.00 0.82 0.00 -0.02 0.00 0.00 41.12 42.43 2kbz n ASP 77 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2kbz h LYS 78 N 0.00 0.00 -0.39 -1.24 1.63 -1.99 -2.78 116.57 111.80 2kbz h LYS 78 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kbz h LYS 78 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2kbz h LYS 78 CO 0.00 0.07 0.00 -3.47 -3.45 0.00 0.00 179.45 172.60 2kbz n ASP 79 N -3.70 3.04 -1.22 4.20 2.03 -1.26 -4.96 116.55 114.68 2kbz n ASP 79 Ca -0.02 -1.99 -0.11 0.00 0.52 0.00 0.00 54.79 53.19 2kbz n ASP 79 Cb 0.17 -0.26 -0.00 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.67 -0.07 3.93 0.27 0.00 -1.05 -5.05 105.19 103.89 2kbz n GLY 80 Ca 0.13 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 2kbz n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbz s ASN 81 N -2.53 6.33 0.46 1.61 4.22 -1.26 -4.84 114.94 118.94 2kbz s ASN 81 Ca 0.00 0.59 -0.15 0.00 -2.14 0.00 0.00 52.86 51.16 2kbz s ASN 81 Cb -0.00 -2.09 -0.08 0.00 1.28 0.00 0.00 41.25 40.35 2kbz s ASN 81 CO 0.00 -0.31 0.90 -1.83 -2.04 0.00 0.00 177.10 173.83 2kbz s GLU 82 N -4.16 3.94 -0.07 3.55 1.03 -1.26 -2.07 118.70 119.66 2kbz s GLU 82 Ca 0.42 0.82 0.02 0.00 0.03 0.00 0.00 54.97 56.26 2kbz s GLU 82 Cb -0.10 -2.23 0.01 0.00 -0.80 0.00 0.00 34.13 31.01 2kbz s GLU 82 CO 0.36 -0.14 -0.12 0.45 -1.33 0.00 0.00 175.26 174.48 2kbz s SER 83 N -2.92 1.82 -0.20 0.83 0.15 -0.08 -4.92 113.70 108.40 2kbz s SER 83 Ca 0.57 -0.30 -0.00 0.00 0.70 0.00 0.00 55.95 56.92 2kbz s SER 83 Cb -0.10 -0.83 0.02 0.00 -1.71 0.00 0.00 66.02 63.40 2kbz s SER 83 CO 0.28 0.01 -0.15 -0.63 1.20 0.00 0.00 173.24 173.95 2kbz s ILE 84 N 0.81 2.41 0.72 6.45 1.01 -1.26 -4.92 121.20 126.42 2kbz s ILE 84 Ca -0.12 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.55 2kbz s ILE 84 Cb -0.15 -2.06 0.16 0.00 0.01 0.00 0.00 42.46 40.42 2kbz s ILE 84 CO 0.02 0.47 0.99 -0.81 0.00 0.00 0.00 174.94 175.61 2kbz n PRO 85 N 4.66 -0.88 -0.03 2.79 -0.04 -1.26 -4.89 135.00 135.34 2kbz n PRO 85 Ca -0.20 -1.62 -0.12 0.00 -0.04 0.00 0.00 63.50 61.52 2kbz n PRO 85 Cb 0.50 -0.99 -0.07 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.24 0.18 0.21 3.54 0.87 -1.99 -1.57 113.55 113.56 2kbz h SER 86 Ca -0.32 -0.37 -0.14 0.00 -1.23 0.00 0.00 61.79 59.73 2kbz h SER 86 Cb 0.90 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 2kbz h SER 86 CO 0.23 0.51 -0.53 1.23 -0.53 0.00 0.00 176.83 177.75 2kbz h GLY 87 N -0.15 0.39 2.00 5.77 0.00 -1.97 -2.83 103.07 106.27 2kbz h GLY 87 Ca 0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 2kbz h GLY 87 CO 0.01 0.39 -0.18 -2.08 0.00 0.00 0.00 176.54 174.68 2kbz h VAL 88 N 0.27 0.40 -0.33 4.60 2.07 -1.79 -2.78 116.25 118.69 2kbz h VAL 88 Ca 0.01 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 2kbz h VAL 88 Cb 1.03 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2kbz h VAL 88 CO 0.09 0.18 -0.05 0.25 0.02 0.00 0.00 177.57 178.06 2kbz h LEU 89 N 0.00 0.61 -1.44 2.57 6.46 -1.08 -1.57 115.31 120.86 2kbz h LEU 89 Ca -0.00 -0.34 -0.06 0.00 -0.12 0.00 0.00 57.88 57.36 2kbz h LEU 89 Cb 0.81 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 2kbz h LEU 89 CO 0.02 0.81 -0.28 0.16 -0.62 0.00 0.00 178.44 178.53 2kbz h ILE 90 N 0.40 1.10 0.07 4.05 -2.65 -1.42 -2.85 117.51 116.21 2kbz h ILE 90 Ca 0.09 -1.01 -0.00 0.00 1.03 0.00 0.00 64.86 64.97 2kbz h ILE 90 Cb 0.52 1.56 0.00 0.00 -2.05 0.00 0.00 36.82 36.85 2kbz h ILE 90 CO 0.03 0.28 -0.04 0.15 0.03 0.00 0.00 178.15 178.60 2kbz h PHE 91 N 0.00 -0.09 0.34 0.16 3.57 -1.40 -2.64 116.94 116.87 2kbz h PHE 91 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2kbz h PHE 91 Cb 0.54 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 2kbz h PHE 91 CO 0.00 0.12 -0.44 -0.39 -2.23 0.00 0.00 178.31 175.37 2kbz h VAL 92 N -0.30 0.00 -0.11 1.41 -1.51 -1.08 -0.53 116.25 114.12 2kbz h VAL 92 Ca -0.01 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.51 2kbz h VAL 92 Cb 0.25 0.00 -0.06 0.00 -2.13 0.00 0.00 31.29 29.35 2kbz h VAL 92 CO 0.02 0.00 -0.30 0.00 -1.23 0.00 0.00 177.57 176.06 2kbz h ALA 93 N -0.92 -0.35 -0.05 5.19 0.00 -1.65 -2.87 119.26 118.60 2kbz h ALA 93 Ca -0.04 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2kbz h ALA 93 Cb 0.73 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2kbz h ALA 93 CO -0.11 -0.78 -0.84 1.57 0.00 0.00 0.00 179.25 179.09 2kbz h LYS 94 N -0.38 0.49 -0.66 0.00 2.10 -1.51 -2.65 116.57 113.96 2kbz h LYS 94 Ca 0.09 -0.46 0.03 0.00 -2.00 0.00 0.00 60.65 58.32 2kbz h LYS 94 Cb 0.53 0.11 -0.04 0.00 -0.90 0.00 0.00 32.23 31.93 2kbz h LYS 94 CO -0.33 1.10 0.41 0.00 -2.00 0.00 0.00 179.45 178.62 2kbz h ALA 95 N 0.76 0.87 -0.49 0.07 0.00 -1.16 -2.84 119.26 116.47 2kbz h ALA 95 Ca -0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2kbz h ALA 95 Cb 1.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2kbz h ALA 95 CO 0.15 0.15 -0.17 0.00 0.00 0.00 0.00 179.25 179.39 2kbz h ALA 96 N 1.29 0.78 0.00 0.00 0.00 -1.59 -2.84 119.26 116.90 2kbz h ALA 96 Ca 0.27 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2kbz h ALA 96 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kbz h ALA 96 CO -0.12 0.66 -0.13 -0.56 0.00 0.00 0.00 179.25 179.10 2kbz h GLN 97 N 0.84 0.00 0.21 0.00 3.07 -1.26 -0.02 115.11 117.94 2kbz h GLN 97 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.85 2kbz h GLN 97 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.29 2kbz h GLN 97 CO 0.06 0.13 -0.10 0.74 0.09 0.00 0.00 178.83 179.75 2kbz h PHE 98 N 0.00 -0.26 -0.08 0.06 0.04 -1.42 -3.41 116.94 111.87 2kbz h PHE 98 Ca -0.00 -0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.60 2kbz h PHE 98 Cb 0.48 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 2kbz h PHE 98 CO 0.00 0.08 -0.66 -0.92 -0.60 0.00 0.00 178.31 176.21 2kbz h TYR 99 N -0.96 0.42 -0.15 -0.55 3.20 -1.50 -3.37 116.97 114.06 2kbz h TYR 99 Ca -0.03 -0.17 -0.19 0.00 3.14 0.00 0.00 58.73 61.48 2kbz h TYR 99 Cb 0.46 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.66 2kbz h TYR 99 CO 0.06 0.89 -0.69 1.98 -1.64 0.00 0.00 178.16 178.76 2kbz h MET 100 N 0.23 0.60 0.00 1.82 1.85 -1.23 0.25 114.93 118.46 2kbz h MET 100 Ca -0.02 -0.46 0.00 0.00 -0.61 0.00 0.00 59.70 58.62 2kbz h MET 100 Cb 1.20 0.08 0.00 0.00 0.43 0.00 0.00 31.60 33.31 2kbz h MET 100 CO 0.11 1.08 0.00 -2.37 -0.40 0.00 0.00 176.91 175.32 2kbz n THR 101 N -3.91 1.12 0.04 -0.77 5.66 -1.26 -0.77 114.28 114.38 2kbz n THR 101 Ca -0.05 0.28 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 2kbz n THR 101 Cb 0.69 -1.13 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 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 -1.39 0.47 -0.84 1.09 0.23 -1.22 -4.83 115.26 108.75 2kbz n ASN 102 Ca 0.03 0.11 0.06 0.00 -0.53 0.00 0.00 54.58 54.25 2kbz n ASN 102 Cb 0.09 -0.10 0.19 0.00 -2.08 0.00 0.00 39.78 37.87 2kbz n ASN 102 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kbz n ALA 103 N -3.22 2.58 0.91 -2.53 0.00 0.89 0.32 120.51 119.45 2kbz n ALA 103 Ca 0.00 -0.78 0.13 0.00 0.00 0.00 0.00 53.44 52.79 2kbz n ALA 103 Cb 0.19 -0.98 0.35 0.00 0.00 0.00 0.00 19.45 19.01 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 1.02 -1.37 0.95 0.00 0.00 0.05 -3.95 105.19 101.89 2kbz n GLY 104 Ca 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.65 0.17 -1.85 0.99 -0.00 -0.55 -4.82 117.00 109.30 2kbz n LEU 105 Ca 0.06 0.03 -0.21 0.00 -0.00 0.00 0.00 56.01 55.88 2kbz n LEU 105 Cb 0.36 -0.07 0.08 0.00 -0.00 0.00 0.00 43.42 43.79 2kbz n LEU 105 CO 0.33 -0.00 0.55 1.07 -0.00 0.00 0.00 177.39 179.33 2kbz n THR 106 N -3.10 2.75 -0.01 1.47 5.66 0.15 -4.82 114.28 116.38 2kbz n THR 106 Ca -0.03 -3.64 -0.17 0.00 -3.05 0.00 0.00 64.05 57.16 2kbz n THR 106 Cb 0.50 -0.95 -0.10 0.00 -1.55 0.00 0.00 70.33 68.23 2kbz n THR 106 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2kbz h GLY 107 N 1.86 0.54 -0.49 1.09 0.00 -1.68 -3.44 103.07 100.95 2kbz h GLY 107 Ca 0.37 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2kbz h GLY 107 CO 0.82 0.76 0.00 0.54 0.00 0.00 0.00 176.54 178.66 2kbz n ARG 108 N -4.19 0.00 -3.70 4.80 1.74 -1.26 -4.96 116.66 109.09 2kbz n ARG 108 Ca -0.09 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.00 2kbz n ARG 108 Cb 0.66 -1.28 -0.00 0.00 -1.02 0.00 0.00 32.46 30.82 2kbz n ARG 108 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kbz s SER 109 N -2.50 -0.04 0.00 0.55 0.15 -1.26 -5.09 113.70 105.50 2kbz s SER 109 Ca 0.00 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2kbz s SER 109 Cb 0.00 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2kbz s SER 109 CO 0.00 -0.32 0.00 0.80 1.20 0.00 0.00 173.24 174.92 2kbz n MET 110 N -0.58 0.00 0.00 5.44 1.56 -1.26 -5.04 117.12 117.24 2kbz n MET 110 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.37 2kbz n MET 110 Cb 0.62 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.99 2kbz n MET 110 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 2kbz n ASP 111 N 0.00 0.00 -3.13 6.12 5.75 -1.26 -4.89 116.55 119.14 2kbz n ASP 111 Ca 0.00 0.22 -0.17 0.00 -0.01 0.00 0.00 54.79 54.83 2kbz n ASP 111 Cb 0.00 -0.44 -0.05 0.00 -1.03 0.00 0.00 41.12 39.60 2kbz n ASP 111 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2kbz s THR 112 N -0.88 -0.23 0.00 2.12 -1.32 -1.26 -4.98 115.64 109.09 2kbz s THR 112 Ca 0.00 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 58.55 2kbz s THR 112 Cb 0.00 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 2kbz s THR 112 CO 0.00 -0.72 0.00 0.52 -2.21 0.00 0.00 174.62 172.21 2kbz n VAL 113 N 2.91 0.00 -3.79 5.08 0.31 -1.26 -4.93 118.33 116.65 2kbz n VAL 113 Ca 0.25 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.26 2kbz n VAL 113 Cb 0.51 -0.35 -0.10 0.00 -0.91 0.00 0.00 33.84 32.99 2kbz n VAL 113 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2kbz s SER 114 N 0.40 5.23 0.28 4.52 0.15 -1.26 -5.09 113.70 117.92 2kbz s SER 114 Ca 0.00 -3.60 -0.04 0.00 0.70 0.00 0.00 55.95 53.01 2kbz s SER 114 Cb 0.00 -1.76 -0.05 0.00 -1.71 0.00 0.00 66.02 62.50 2kbz s SER 114 CO 0.00 -0.17 0.52 -0.31 1.20 0.00 0.00 173.24 174.49 2kbz s TYR 115 N -1.12 3.48 -1.93 3.44 1.51 -1.26 -4.86 117.35 116.60 2kbz s TYR 115 Ca 0.24 0.58 0.25 0.00 -1.01 0.00 0.00 57.07 57.13 2kbz s TYR 115 Cb -0.10 -2.05 0.44 0.00 -0.11 0.00 0.00 41.96 40.14 2kbz s TYR 115 CO -0.12 0.21 1.37 0.27 -1.11 0.00 0.00 175.55 176.17 2kbz n ASN 116 N -0.91 1.51 0.14 2.29 2.04 -1.26 -4.65 115.26 114.42 2kbz n ASN 116 Ca -0.02 -1.20 0.11 0.00 -0.44 0.00 0.00 54.58 53.03 2kbz n ASN 116 Cb 0.54 0.27 0.53 0.00 -2.53 0.00 0.00 39.78 38.59 2kbz n ASN 116 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 2kbz n PHE 117 N -0.31 0.73 0.23 -2.53 3.72 -1.26 -0.82 117.46 117.21 2kbz n PHE 117 Ca 0.11 0.34 0.12 0.00 -0.05 0.00 0.00 57.45 57.97 2kbz n PHE 117 Cb 0.40 -1.05 0.07 0.00 -0.94 0.00 0.00 39.48 37.96 2kbz n PHE 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kbz h ALA 118 N 2.10 0.59 0.00 4.37 0.00 -1.82 -3.25 119.26 121.25 2kbz h ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kbz h ALA 118 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kbz h ALA 118 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 179.25 176.88 2kbz n THR 119 N -2.60 0.00 0.00 0.00 5.66 -0.31 -5.08 114.28 111.95 2kbz n THR 119 Ca 0.01 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2kbz n THR 119 Cb 0.52 1.60 0.00 0.00 -1.55 0.00 0.00 70.33 70.90 2kbz n THR 119 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kbz n GLU 120 N -0.05 0.00 -1.15 1.09 -0.58 -0.00 -5.12 120.64 114.82 2kbz n GLU 120 Ca 0.00 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.89 2kbz n GLU 120 Cb 0.15 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.98 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 0.00 0.00 -1.96 -3.67 -0.00 -1.26 -4.61 119.36 107.86 2kbz n ILE 121 Ca 0.00 0.14 -0.43 0.00 -0.00 0.00 0.00 62.75 62.46 2kbz n ILE 121 Cb 0.00 -0.52 -0.03 0.00 -0.00 0.00 0.00 39.64 39.10 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 -2.41 3.85 0.00 6.28 0.04 -1.26 -4.92 135.00 136.58 2kbz s PRO 122 Ca 0.00 1.97 0.15 0.00 0.04 0.00 0.00 61.00 63.16 2kbz s PRO 122 Cb 0.00 -4.09 0.88 0.00 0.04 0.00 0.00 34.50 31.34 2kbz s PRO 122 CO 0.00 -1.24 1.34 0.45 0.04 0.00 0.00 177.00 177.59 2kbz n SER 123 N 8.42 0.00 0.03 6.66 2.88 -1.26 -2.22 113.62 128.12 2kbz n SER 123 Ca 0.20 -0.38 -0.22 0.00 -1.33 0.00 0.00 58.87 57.14 2kbz n SER 123 Cb 0.44 -0.05 -0.14 0.00 -0.75 0.00 0.00 64.21 63.71 2kbz n SER 123 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2kbz h THR 124 N 0.00 1.03 0.00 2.46 2.02 -1.98 -3.38 112.91 113.06 2kbz h THR 124 Ca 0.00 -2.44 -0.07 0.00 0.77 0.00 0.00 66.41 64.67 2kbz h THR 124 Cb 0.02 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 2kbz h THR 124 CO 0.00 0.75 -0.31 0.40 0.37 0.00 0.00 175.52 176.72 2kbz h ILE 125 N -0.19 0.84 -0.50 3.11 1.08 -1.86 -2.81 117.51 117.18 2kbz h ILE 125 Ca -0.31 -1.28 0.15 0.00 -0.39 0.00 0.00 64.86 63.03 2kbz h ILE 125 Cb 1.85 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 37.36 2kbz h ILE 125 CO 0.10 0.31 0.59 -0.07 -0.69 0.00 0.00 178.15 178.38 2kbz h LEU 126 N 0.00 0.00 -0.34 1.44 3.38 -1.73 0.17 115.31 118.22 2kbz h LEU 126 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2kbz h LEU 126 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2kbz h LEU 126 CO 0.04 0.00 -0.82 0.50 0.09 0.00 0.00 178.44 178.25 2kbz h LYS 127 N 0.00 0.24 0.00 1.13 3.64 -1.71 -3.29 116.57 116.58 2kbz h LYS 127 Ca 0.24 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kbz h LYS 127 Cb 1.41 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2kbz h LYS 127 CO -0.00 0.94 -0.04 1.63 -2.27 0.00 0.00 179.45 179.71 2kbz n LYS 128 N -3.72 0.21 -0.24 1.90 4.01 0.49 -3.24 118.16 117.57 2kbz n LYS 128 Ca -0.04 0.17 -0.02 0.00 -0.51 0.00 0.00 58.31 57.91 2kbz n LYS 128 Cb 0.77 -1.74 0.10 0.00 -0.51 0.00 0.00 35.03 33.65 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 0.63 -1.42 -0.35 6.46 -1.37 -3.31 115.31 115.95 2kbz h LEU 129 Ca 0.00 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 2kbz h LEU 129 Cb 0.69 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.47 2kbz h LEU 129 CO 0.00 0.42 0.44 0.78 -0.62 0.00 0.00 178.44 179.46 2kbz h ASN 130 N 0.77 0.63 0.00 1.25 2.35 -1.73 -1.72 115.58 117.12 2kbz h ASN 130 Ca 0.30 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2kbz h ASN 130 Cb 0.14 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2kbz h ASN 130 CO -0.16 0.41 0.19 -2.65 -1.65 0.00 0.00 177.43 173.58 2kbz n PRO 131 N -4.47 0.00 -0.24 0.81 -0.02 -1.25 -4.71 135.00 125.12 2kbz n PRO 131 Ca 0.09 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2kbz n PRO 131 Cb 0.20 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 -1.07 0.00 0.00 6.00 0.18 -0.65 -4.51 117.16 117.11 2kbz n TYR 132 Ca 0.00 -0.13 0.00 0.00 1.88 0.00 0.00 57.90 59.65 2kbz n TYR 132 Cb 0.19 -0.34 0.00 0.00 -0.38 0.00 0.00 39.34 38.81 2kbz n TYR 132 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 2kbz n ARG 133 N 3.04 0.00 -0.92 -3.48 0.00 -1.26 -4.54 116.66 109.50 2kbz n ARG 133 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2kbz n ARG 133 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.33 2kbz n ARG 133 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2kbz n LYS 134 N 0.00 1.99 -0.29 -0.14 3.00 -1.26 -4.85 118.16 116.61 2kbz n LYS 134 Ca 0.00 -1.06 -0.05 0.00 -0.00 0.00 0.00 58.31 57.20 2kbz n LYS 134 Cb 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 35.03 32.93 2kbz n LYS 134 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2kbz n MET 135 N 2.77 0.64 0.00 1.64 0.00 -1.26 -4.18 117.12 116.73 2kbz n MET 135 Ca 0.43 -0.41 0.07 0.00 -0.00 0.00 0.00 57.70 57.79 2kbz n MET 135 Cb 0.70 -1.75 0.00 0.00 0.00 0.00 0.00 33.22 32.18 2kbz n MET 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kbz n ALA 136 N 3.19 3.04 -1.69 -5.12 0.00 -1.26 -5.17 120.51 113.51 2kbz n ALA 136 Ca 0.14 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2kbz n ALA 136 Cb 0.22 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2kbz n ALA 136 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37