#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 3.77 0.32 -1.09 0.52 -1.26 -5.03 118.95 116.19 2kbz s ARG 40 Ca 0.00 -0.43 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 2kbz s ARG 40 Cb 0.00 -3.32 0.54 0.00 0.52 0.00 0.00 34.95 32.69 2kbz s ARG 40 CO 0.00 -0.05 1.89 -0.39 0.02 0.00 0.00 175.30 176.78 2kbz h VAL 41 N 5.33 1.20 0.00 3.52 -1.51 -2.08 -2.42 116.25 120.29 2kbz h VAL 41 Ca -0.37 -0.66 -0.06 0.00 -1.23 0.00 0.00 66.70 64.38 2kbz h VAL 41 Cb 1.18 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 2kbz h VAL 41 CO 0.61 0.25 -0.28 0.07 -1.23 0.00 0.00 177.57 176.98 2kbz h LYS 42 N 0.70 0.00 -0.07 5.19 -0.00 -2.00 -3.30 116.57 117.08 2kbz h LYS 42 Ca 0.16 0.00 0.02 0.00 -0.00 0.00 0.00 60.65 60.83 2kbz h LYS 42 Cb 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.43 2kbz h LYS 42 CO -0.01 0.28 0.09 -0.09 -0.00 0.00 0.00 179.45 179.72 2kbz h ARG 43 N 0.00 0.00 -0.05 0.07 2.43 -1.84 0.60 114.38 115.59 2kbz h ARG 43 Ca -0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 2kbz h ARG 43 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2kbz h ARG 43 CO 0.04 0.00 -0.84 -0.07 -1.51 0.00 0.00 179.97 177.59 2kbz h LEU 44 N 0.00 0.59 0.00 3.80 4.07 -1.73 -3.34 115.31 118.70 2kbz h LEU 44 Ca 0.04 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.57 2kbz h LEU 44 Cb 0.21 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.78 2kbz h LEU 44 CO -0.00 1.20 -1.47 0.00 -1.08 0.00 0.00 178.44 177.09 2kbz n LEU 45 N -3.81 0.05 0.16 1.67 -0.00 -1.02 -3.81 117.00 110.24 2kbz n LEU 45 Ca -0.06 -0.05 0.13 0.00 -0.00 0.00 0.00 56.01 56.03 2kbz n LEU 45 Cb 0.77 0.00 0.36 0.00 -0.00 0.00 0.00 43.42 44.55 2kbz n LEU 45 CO 0.50 0.01 0.87 0.28 -0.00 0.00 0.00 177.39 179.05 2kbz h SER 46 N 0.00 0.00 0.00 1.45 0.02 0.03 -2.36 113.55 112.68 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 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2kbz h SER 46 CO 0.00 0.00 0.00 -0.38 -1.14 0.00 0.00 176.83 175.31 2kbz n ILE 47 N -2.63 0.12 -3.14 3.27 5.41 -1.25 -4.66 119.36 116.48 2kbz n ILE 47 Ca 0.04 0.04 -0.45 0.00 1.00 0.00 0.00 62.75 63.39 2kbz n ILE 47 Cb 0.43 -0.98 -0.00 0.00 -0.71 0.00 0.00 39.64 38.38 2kbz n ILE 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2kbz s THR 48 N -1.11 5.50 0.00 1.39 -1.32 -1.25 -1.14 115.64 117.71 2kbz s THR 48 Ca 0.00 -2.99 0.00 0.00 -1.21 0.00 0.00 61.69 57.49 2kbz s THR 48 Cb 0.00 -4.76 0.00 0.00 -1.51 0.00 0.00 72.50 66.23 2kbz s THR 48 CO 0.00 -1.40 0.00 0.59 -2.21 0.00 0.00 174.62 171.60 2kbz n ASN 49 N 4.24 0.00 -3.37 8.08 3.02 -1.26 -4.46 115.26 121.51 2kbz n ASN 49 Ca 0.30 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.54 2kbz n ASN 49 Cb 0.41 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.87 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 -1.27 0.55 6.41 2.15 -0.89 -4.87 116.67 118.76 2kbz s ASP 50 Ca 0.00 0.83 0.33 0.00 0.43 0.00 0.00 52.55 54.15 2kbz s ASP 50 Cb 0.00 -1.17 1.54 0.00 -0.30 0.00 0.00 42.92 42.99 2kbz s ASP 50 CO 0.00 -5.49 2.06 0.07 -0.17 0.00 0.00 175.17 171.64 2kbz h LYS 51 N -3.50 0.00 0.00 4.34 2.10 -1.87 -2.44 116.57 115.20 2kbz h LYS 51 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2kbz h LYS 51 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 2kbz h LYS 51 CO 0.27 0.05 0.00 0.72 -2.00 0.00 0.00 179.45 178.49 2kbz n HIS 52 N -3.24 0.10 0.14 0.07 8.25 -1.26 -2.31 115.22 116.97 2kbz n HIS 52 Ca -0.01 0.05 0.01 0.00 -0.26 0.00 0.00 57.72 57.51 2kbz n HIS 52 Cb 0.26 -0.58 0.32 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 0.15 -0.20 0.41 3.58 -0.62 0.36 116.42 120.10 2kbz h ASP 53 Ca 0.00 -0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.24 2kbz h ASP 53 Cb 0.08 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2kbz h ASP 53 CO 0.00 0.47 -0.50 -0.33 -2.88 0.00 0.00 179.24 176.00 2kbz h GLU 54 N 0.13 0.69 -0.08 0.28 5.08 -1.72 -2.01 114.58 116.96 2kbz h GLU 54 Ca 0.02 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 2kbz h GLU 54 Cb 0.65 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2kbz h GLU 54 CO 0.05 1.10 -0.25 -0.92 -1.00 0.00 0.00 179.01 177.99 2kbz h TYR 55 N 0.40 0.40 0.15 4.33 3.20 -1.66 0.44 116.97 124.23 2kbz h TYR 55 Ca -0.01 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 2kbz h TYR 55 Cb 1.12 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.32 2kbz h TYR 55 CO 0.09 0.86 -0.07 1.25 -1.64 0.00 0.00 178.16 178.65 2kbz h LEU 56 N -0.17 -0.17 -1.70 2.82 6.46 -0.39 -2.93 115.31 119.23 2kbz h LEU 56 Ca -0.01 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2kbz h LEU 56 Cb 0.87 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 2kbz h LEU 56 CO 0.05 -0.01 0.18 0.71 -0.62 0.00 0.00 178.44 178.75 2kbz h THR 57 N -0.32 1.08 -0.39 1.05 1.35 -1.48 -3.26 112.91 110.95 2kbz h THR 57 Ca -0.02 -0.17 -0.05 0.00 -0.55 0.00 0.00 66.41 65.62 2kbz h THR 57 Cb 0.26 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 2kbz h THR 57 CO 0.03 0.08 0.04 -0.33 -0.25 0.00 0.00 175.52 175.09 2kbz h GLU 58 N 0.39 0.66 -0.79 4.72 5.08 -0.79 -3.33 114.58 120.51 2kbz h GLU 58 Ca 0.10 -0.19 0.18 0.00 -1.00 0.00 0.00 59.36 58.46 2kbz h GLU 58 Cb -0.03 -0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.01 2kbz h GLU 58 CO -0.02 0.73 -0.02 0.52 -1.00 0.00 0.00 179.01 179.22 2kbz h MET 59 N 0.49 0.08 0.21 2.33 2.86 -1.55 -2.98 114.93 116.36 2kbz h MET 59 Ca 0.11 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2kbz h MET 59 Cb 0.41 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2kbz h MET 59 CO 0.01 0.05 -0.10 0.28 1.06 0.00 0.00 176.91 178.21 2kbz h VAL 60 N 0.08 0.81 0.00 -2.22 2.07 -1.67 -2.89 116.25 112.42 2kbz h VAL 60 Ca 0.43 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2kbz h VAL 60 Cb 0.77 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2kbz h VAL 60 CO -0.72 0.18 0.21 -0.65 0.02 0.00 0.00 177.57 176.61 2kbz h PRO 61 N -0.81 0.00 -0.47 1.57 0.11 -1.66 0.40 132.00 131.15 2kbz h PRO 61 Ca -0.03 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 2kbz h PRO 61 Cb 0.51 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 2kbz h PRO 61 CO 0.05 0.00 0.09 -0.07 -0.21 0.00 0.00 178.00 177.86 2kbz h LEU 62 N 0.00 0.73 0.24 2.35 4.07 -1.40 -0.09 115.31 121.21 2kbz h LEU 62 Ca 0.00 -0.25 -0.01 0.00 0.08 0.00 0.00 57.88 57.70 2kbz h LEU 62 Cb 0.41 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2kbz h LEU 62 CO 0.00 0.79 -0.11 0.25 -1.08 0.00 0.00 178.44 178.29 2kbz h LEU 63 N 0.64 -0.27 -0.46 1.67 5.85 -0.21 -2.83 115.31 119.69 2kbz h LEU 63 Ca 0.14 -0.25 -0.15 0.00 0.84 0.00 0.00 57.88 58.47 2kbz h LEU 63 Cb 0.36 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2kbz h LEU 63 CO 0.01 0.15 -0.35 1.62 -0.34 0.00 0.00 178.44 179.52 2kbz h VAL 64 N -0.76 1.27 -0.01 1.05 3.04 -0.54 -0.55 116.25 119.76 2kbz h VAL 64 Ca -0.03 -1.53 -0.23 0.00 -1.01 0.00 0.00 66.70 63.90 2kbz h VAL 64 Cb 0.50 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 2kbz h VAL 64 CO 0.05 0.51 -0.93 -0.33 -1.01 0.00 0.00 177.57 175.86 2kbz h GLU 65 N 0.74 0.45 -0.15 4.17 5.08 -1.17 -0.43 114.58 123.27 2kbz h GLU 65 Ca 0.07 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 2kbz h GLU 65 Cb 0.93 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2kbz h GLU 65 CO 0.09 1.12 0.00 0.27 -1.00 0.00 0.00 179.01 179.50 2kbz h PHE 66 N 0.26 0.29 -0.21 4.33 -0.00 -1.56 -2.24 116.94 117.82 2kbz h PHE 66 Ca -0.08 -0.05 -0.16 0.00 -0.00 0.00 0.00 57.97 57.68 2kbz h PHE 66 Cb 1.56 -0.08 -0.01 0.00 -0.00 0.00 0.00 35.95 37.43 2kbz h PHE 66 CO 0.06 0.48 -0.52 0.00 -0.00 0.00 0.00 178.31 178.33 2kbz h ALA 67 N 0.77 0.69 0.00 12.09 0.00 -1.17 -3.18 119.26 128.47 2kbz h ALA 67 Ca 0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2kbz h ALA 67 Cb 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kbz h ALA 67 CO 0.01 0.68 -0.08 -0.22 0.00 0.00 0.00 179.25 179.64 2kbz h LYS 68 N 0.47 0.00 -0.25 0.00 3.11 -1.16 -3.34 116.57 115.40 2kbz h LYS 68 Ca 0.02 0.00 0.07 0.00 -2.81 0.00 0.00 60.65 57.93 2kbz h LYS 68 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.29 2kbz h LYS 68 CO 0.10 0.08 0.44 0.38 -2.81 0.00 0.00 179.45 177.64 2kbz h ASP 69 N 0.00 0.00 0.85 4.20 3.04 -1.38 -0.09 116.42 123.04 2kbz h ASP 69 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2kbz h ASP 69 Cb 0.80 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.09 2kbz h ASP 69 CO 0.01 0.00 0.00 -1.84 -2.04 0.00 0.00 179.24 175.37 2kbz n GLU 70 N -3.33 0.08 -0.69 4.15 -0.00 -1.25 -4.33 120.64 115.26 2kbz n GLU 70 Ca 0.04 0.20 0.02 0.00 -0.00 0.00 0.00 57.16 57.41 2kbz n GLU 70 Cb 0.57 -1.61 0.27 0.00 -0.00 0.00 0.00 31.44 30.67 2kbz n GLU 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kbz n HIS 72 N 0.29 0.00 -3.33 0.00 8.25 -1.26 -4.90 115.22 114.27 2kbz n HIS 72 Ca 0.24 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.45 2kbz n HIS 72 Cb 1.01 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.10 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 0.19 6.30 0.05 0.41 6.03 -1.26 -5.04 114.94 121.63 2kbz s ASN 73 Ca 0.00 0.50 0.25 0.00 -1.03 0.00 0.00 52.86 52.58 2kbz s ASN 73 Cb 0.00 -2.05 0.46 0.00 -3.03 0.00 0.00 41.25 36.63 2kbz s ASN 73 CO 0.00 -0.30 1.39 -0.81 -2.03 0.00 0.00 177.10 175.35 2kbz n PRO 74 N -1.74 0.14 -2.47 3.55 -0.04 -1.26 -4.76 135.00 128.43 2kbz n PRO 74 Ca -0.04 0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.43 2kbz n PRO 74 Cb 0.56 -1.58 -0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.78 -1.81 -4.37 0.54 1.16 -1.26 -4.93 117.46 105.00 2kbz n PHE 75 Ca 0.04 0.04 -0.19 0.00 -1.87 0.00 0.00 57.45 55.47 2kbz n PHE 75 Cb 0.38 -0.97 -0.14 0.00 -1.61 0.00 0.00 39.48 37.14 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 -1.92 0.80 0.40 1.97 1.01 -1.26 0.24 121.20 122.43 2kbz s ILE 76 Ca 0.05 -0.55 0.08 0.00 0.00 0.00 0.00 60.65 60.22 2kbz s ILE 76 Cb -0.03 -0.70 -0.06 0.00 0.01 0.00 0.00 42.46 41.69 2kbz s ILE 76 CO 0.06 0.14 0.13 -1.81 0.00 0.00 0.00 174.94 173.46 2kbz s ASP 77 N -0.46 4.33 0.63 3.58 1.01 0.35 -4.91 116.67 121.19 2kbz s ASP 77 Ca 0.02 -1.08 0.17 0.00 0.71 0.00 0.00 52.55 52.37 2kbz s ASP 77 Cb -0.05 -0.49 0.68 0.00 1.01 0.00 0.00 42.92 44.07 2kbz s ASP 77 CO -0.00 -0.47 1.30 0.07 0.21 0.00 0.00 175.17 176.28 2kbz h LYS 78 N 1.54 0.00 -0.01 8.23 2.10 -2.03 0.18 116.57 126.59 2kbz h LYS 78 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2kbz h LYS 78 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2kbz h LYS 78 CO 0.70 0.00 -0.62 -0.25 -2.00 0.00 0.00 179.45 177.28 2kbz n ASP 79 N -2.97 1.42 0.00 7.07 8.00 -1.26 -4.97 116.55 123.84 2kbz n ASP 79 Ca 0.11 -1.21 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2kbz n ASP 79 Cb 1.14 0.71 0.00 0.00 -0.02 0.00 0.00 41.12 42.95 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 1.36 0.52 3.86 0.44 0.00 0.64 -5.08 105.19 106.93 2kbz n GLY 80 Ca 0.06 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.90 6.72 0.34 1.61 -0.87 -1.24 -4.82 114.94 113.78 2kbz s ASN 81 Ca 0.00 1.06 -0.26 0.00 -1.57 0.00 0.00 52.86 52.08 2kbz s ASN 81 Cb 0.00 -2.28 -0.09 0.00 -0.02 0.00 0.00 41.25 38.86 2kbz s ASN 81 CO 0.00 -0.06 1.06 -1.83 -2.57 0.00 0.00 177.10 173.70 2kbz s GLU 82 N -2.63 4.39 -0.60 -0.60 -1.05 -1.26 -0.50 118.70 116.45 2kbz s GLU 82 Ca 0.47 1.62 -0.10 0.00 -0.15 0.00 0.00 54.97 56.80 2kbz s GLU 82 Cb -0.12 -2.84 0.15 0.00 -0.44 0.00 0.00 34.13 30.89 2kbz s GLU 82 CO 0.20 0.04 0.49 0.45 0.95 0.00 0.00 175.26 177.38 2kbz s SER 83 N -1.28 5.94 -0.35 0.83 0.15 0.14 -4.88 113.70 114.25 2kbz s SER 83 Ca 0.52 -2.26 0.03 0.00 0.70 0.00 0.00 55.95 54.93 2kbz s SER 83 Cb -0.26 -2.06 0.10 0.00 -1.71 0.00 0.00 66.02 62.09 2kbz s SER 83 CO 0.33 -0.63 0.07 -0.63 1.20 0.00 0.00 173.24 173.58 2kbz s ILE 84 N 0.83 2.45 1.02 6.45 -1.09 -1.26 -4.91 121.20 124.70 2kbz s ILE 84 Ca 0.10 -2.25 -0.14 0.00 -2.23 0.00 0.00 60.65 56.14 2kbz s ILE 84 Cb -0.22 -2.76 0.20 0.00 -1.58 0.00 0.00 42.46 38.10 2kbz s ILE 84 CO -0.03 -0.58 1.11 -2.16 -1.23 0.00 0.00 174.94 172.06 2kbz s PRO 85 N 0.95 0.22 0.24 2.79 0.04 -1.26 -4.73 135.00 133.25 2kbz s PRO 85 Ca 0.09 0.31 -0.07 0.00 0.04 0.00 0.00 61.00 61.37 2kbz s PRO 85 Cb -0.20 -1.73 0.42 0.00 0.04 0.00 0.00 34.50 33.03 2kbz s PRO 85 CO -0.07 -2.83 1.66 0.77 0.04 0.00 0.00 177.00 176.57 2kbz h SER 86 N -1.95 -0.19 -0.14 6.66 0.02 -1.98 -1.48 113.55 114.48 2kbz h SER 86 Ca -0.52 0.17 -0.17 0.00 -0.84 0.00 0.00 61.79 60.43 2kbz h SER 86 Cb 1.32 0.27 0.01 0.00 0.14 0.00 0.00 62.40 64.14 2kbz h SER 86 CO 0.54 -0.12 -0.58 1.23 -1.14 0.00 0.00 176.83 176.76 2kbz h GLY 87 N 0.16 0.70 2.00 -3.77 0.00 -1.93 -2.67 103.07 97.57 2kbz h GLY 87 Ca 0.40 -0.96 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 2kbz h GLY 87 CO -0.58 0.86 -0.25 -0.24 0.00 0.00 0.00 176.54 176.34 2kbz h VAL 88 N 0.30 0.74 -0.17 4.60 3.04 -1.79 -2.80 116.25 120.17 2kbz h VAL 88 Ca -0.03 -1.03 -0.08 0.00 -1.01 0.00 0.00 66.70 64.55 2kbz h VAL 88 Cb 1.21 1.64 -0.00 0.00 -2.01 0.00 0.00 31.29 32.13 2kbz h VAL 88 CO 0.12 0.24 -0.20 0.25 -1.01 0.00 0.00 177.57 176.98 2kbz h LEU 89 N 0.00 0.47 -1.44 3.16 7.12 -1.32 -1.43 115.31 121.86 2kbz h LEU 89 Ca -0.00 -0.49 -0.06 0.00 0.13 0.00 0.00 57.88 57.46 2kbz h LEU 89 Cb 0.62 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 2kbz h LEU 89 CO 0.03 0.87 -0.25 0.16 -0.13 0.00 0.00 178.44 179.12 2kbz h ILE 90 N 0.08 1.19 -0.16 4.05 3.07 -1.28 -2.16 117.51 122.29 2kbz h ILE 90 Ca 0.02 -0.91 -0.03 0.00 1.55 0.00 0.00 64.86 65.50 2kbz h ILE 90 Cb 0.75 1.46 -0.01 0.00 -0.27 0.00 0.00 36.82 38.75 2kbz h ILE 90 CO 0.05 0.26 -0.00 0.15 -1.05 0.00 0.00 178.15 177.56 2kbz h PHE 91 N 0.04 0.31 0.60 0.16 3.57 -1.52 -0.89 116.94 119.20 2kbz h PHE 91 Ca 0.00 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2kbz h PHE 91 Cb 0.47 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2kbz h PHE 91 CO 0.00 0.51 -0.51 -0.39 -2.23 0.00 0.00 178.31 175.69 2kbz h VAL 92 N 0.03 0.00 -0.58 1.41 -1.51 -0.61 -0.06 116.25 114.94 2kbz h VAL 92 Ca 0.05 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.63 2kbz h VAL 92 Cb 0.38 0.00 -0.09 0.00 -2.13 0.00 0.00 31.29 29.45 2kbz h VAL 92 CO 0.01 0.00 0.08 0.00 -1.23 0.00 0.00 177.57 176.42 2kbz h ALA 93 N -0.98 0.63 -0.03 5.19 0.00 -1.61 -2.89 119.26 119.57 2kbz h ALA 93 Ca -0.08 0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 2kbz h ALA 93 Cb 0.91 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.93 2kbz h ALA 93 CO -0.01 -0.34 -0.92 1.57 0.00 0.00 0.00 179.25 179.55 2kbz h LYS 94 N 0.20 0.55 0.06 0.00 2.10 -1.11 -2.64 116.57 115.72 2kbz h LYS 94 Ca 0.30 -0.54 0.01 0.00 -2.00 0.00 0.00 60.65 58.42 2kbz h LYS 94 Cb 0.46 0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.91 2kbz h LYS 94 CO -0.43 1.17 -0.14 0.00 -2.00 0.00 0.00 179.45 178.06 2kbz h ALA 95 N 0.65 -0.21 0.00 0.07 0.00 -0.97 -2.80 119.26 116.00 2kbz h ALA 95 Ca -0.08 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 2kbz h ALA 95 Cb 1.55 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 2kbz h ALA 95 CO 0.17 -0.65 -0.91 0.00 0.00 0.00 0.00 179.25 177.86 2kbz h ALA 96 N 0.64 0.49 0.00 0.00 0.00 -1.66 -2.84 119.26 115.89 2kbz h ALA 96 Ca 0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 2kbz h ALA 96 Cb 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kbz h ALA 96 CO -0.09 1.13 -0.16 -0.56 0.00 0.00 0.00 179.25 179.57 2kbz h GLN 97 N 0.00 0.00 0.19 0.00 3.07 -1.33 0.10 115.11 117.14 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 1.62 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.18 2kbz h GLN 97 CO 0.12 0.16 -0.09 0.74 0.09 0.00 0.00 178.83 179.85 2kbz h PHE 98 N 0.00 -0.24 -0.17 0.06 0.04 -1.54 -3.43 116.94 111.66 2kbz h PHE 98 Ca -0.00 -0.01 -0.19 0.00 2.80 0.00 0.00 57.97 60.57 2kbz h PHE 98 Cb 0.36 0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 2kbz h PHE 98 CO 0.00 0.09 -0.65 -0.92 -0.60 0.00 0.00 178.31 176.23 2kbz h TYR 99 N -0.98 0.84 0.00 -0.55 5.03 -1.42 -3.35 116.97 116.55 2kbz h TYR 99 Ca -0.03 -0.34 -0.04 0.00 2.58 0.00 0.00 58.73 60.90 2kbz h TYR 99 Cb 0.44 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 2kbz h TYR 99 CO 0.06 1.12 -0.21 0.00 -1.32 0.00 0.00 178.16 177.81 2kbz h MET 100 N 0.47 0.00 -0.43 1.82 -0.00 -1.22 -3.33 114.93 112.23 2kbz h MET 100 Ca -0.02 0.00 0.13 0.00 -0.00 0.00 0.00 59.70 59.81 2kbz h MET 100 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.82 2kbz h MET 100 CO 0.13 0.21 0.59 1.79 -0.00 0.00 0.00 176.91 179.63 2kbz h THR 101 N 0.00 0.22 -0.58 -0.10 1.35 -1.75 -3.45 112.91 108.60 2kbz h THR 101 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2kbz h THR 101 Cb 0.52 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 2kbz h THR 101 CO 0.03 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 172.10 2kbz n ASN 102 N -3.43 -0.39 -0.62 5.36 5.15 -1.25 -5.02 115.26 115.06 2kbz n ASN 102 Ca 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 2kbz n ASN 102 Cb 0.76 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 2kbz n ASN 102 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kbz n ALA 103 N -0.24 1.82 -1.72 5.20 0.00 -1.26 -4.78 120.51 119.53 2kbz n ALA 103 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kbz n ALA 103 Cb 0.10 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.37 0.37 0.02 0.00 0.00 -1.26 -4.96 105.19 99.72 2kbz n GLY 104 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.06 2.07 -0.54 0.99 -0.00 -1.26 -4.68 117.00 113.53 2kbz n LEU 105 Ca -0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 56.01 56.05 2kbz n LEU 105 Cb 0.36 -0.06 0.19 0.00 -0.00 0.00 0.00 43.42 43.91 2kbz n LEU 105 CO 0.01 0.41 0.54 1.07 -0.00 0.00 0.00 177.39 179.41 2kbz n THR 106 N -2.45 2.16 1.18 1.47 5.66 -1.26 -4.86 114.28 116.18 2kbz n THR 106 Ca -0.06 -2.64 0.05 0.00 -3.05 0.00 0.00 64.05 58.35 2kbz n THR 106 Cb 0.57 -0.26 0.16 0.00 -1.55 0.00 0.00 70.33 69.25 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 -1.16 0.22 1.84 1.09 0.00 -1.26 -3.95 105.19 101.97 2kbz n GLY 107 Ca 0.21 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 0.26 2.11 -1.12 1.61 3.00 -1.26 -4.90 116.66 116.35 2kbz n ARG 108 Ca 0.10 -3.09 -0.04 0.00 -0.01 0.00 0.00 57.85 54.80 2kbz n ARG 108 Cb 0.23 -2.05 -0.02 0.00 0.00 0.00 0.00 32.46 30.63 2kbz n ARG 108 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2kbz n SER 109 N -1.14 -3.86 -2.50 0.55 3.41 -1.26 -4.95 113.62 103.87 2kbz n SER 109 Ca 0.50 0.10 -0.02 0.00 -0.26 0.00 0.00 58.87 59.19 2kbz n SER 109 Cb 1.42 -1.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.62 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 -2.40 0.34 -1.31 4.33 2.81 -1.25 -4.81 117.12 114.83 2kbz n MET 110 Ca -0.04 -0.23 -0.38 0.00 -1.81 0.00 0.00 57.70 55.24 2kbz n MET 110 Cb 0.20 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.03 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 3.15 7.87 0.00 7.83 8.00 -1.26 -4.39 116.55 137.75 2kbz n ASP 111 Ca 0.07 -2.58 0.00 0.00 0.71 0.00 0.00 54.79 52.99 2kbz n ASP 111 Cb 0.13 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 39.70 2kbz n ASP 111 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2kbz n THR 112 N 3.82 0.00 -3.74 -3.53 -2.24 -1.26 -5.21 114.28 102.12 2kbz n THR 112 Ca 0.73 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.46 2kbz n THR 112 Cb 0.24 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.49 2kbz n THR 112 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2kbz n VAL 113 N 0.00 0.00 -0.69 2.28 3.14 -1.26 -5.03 118.33 116.77 2kbz n VAL 113 Ca 0.00 -0.63 -0.14 0.00 -2.96 0.00 0.00 64.34 60.62 2kbz n VAL 113 Cb 0.00 0.72 -0.07 0.00 -1.06 0.00 0.00 33.84 33.43 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 -1.30 4.07 -3.14 6.55 7.64 -1.26 -4.91 113.62 121.29 2kbz n SER 114 Ca -0.04 -2.20 -0.43 0.00 1.01 0.00 0.00 58.87 57.20 2kbz n SER 114 Cb 0.49 -0.98 -0.06 0.00 -1.01 0.00 0.00 64.21 62.64 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 3.24 0.89 0.05 1.43 4.01 -1.26 -4.93 117.16 120.59 2kbz n TYR 115 Ca 0.35 0.75 0.00 0.00 -0.16 0.00 0.00 57.90 58.84 2kbz n TYR 115 Cb 0.40 -1.47 0.00 0.00 -0.31 0.00 0.00 39.34 37.97 2kbz n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2kbz n ASN 116 N 2.03 0.08 0.00 7.72 2.04 -1.26 -4.47 115.26 121.40 2kbz n ASN 116 Ca 0.18 -0.10 0.07 0.00 -0.44 0.00 0.00 54.58 54.29 2kbz n ASN 116 Cb -0.00 -0.02 0.38 0.00 -2.53 0.00 0.00 39.78 37.61 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 0.64 0.00 -0.01 -2.53 3.72 -1.26 -0.79 117.46 117.23 2kbz n PHE 117 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 2kbz n PHE 117 Cb 0.02 -0.07 -0.14 0.00 -0.94 0.00 0.00 39.48 38.35 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 2.79 0.69 0.00 4.37 0.00 -1.92 -3.36 119.26 121.83 2kbz h ALA 118 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 54.91 53.53 2kbz h ALA 118 Cb 0.03 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kbz h ALA 118 CO 0.00 1.52 0.00 -2.37 0.00 0.00 0.00 179.25 178.40 2kbz n THR 119 N -3.12 0.04 0.00 0.00 5.66 -0.22 -5.08 114.28 111.56 2kbz n THR 119 Ca -0.15 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 2kbz n THR 119 Cb 1.04 1.63 0.00 0.00 -1.55 0.00 0.00 70.33 71.45 2kbz n THR 119 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2kbz n GLU 120 N -0.02 0.00 0.00 1.09 0.28 0.03 -5.06 120.64 116.97 2kbz n GLU 120 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2kbz n GLU 120 Cb 0.26 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.13 2kbz n GLU 120 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2kbz n ILE 121 N 0.00 0.00 -1.64 3.84 -0.00 -1.26 -4.84 119.36 115.46 2kbz n ILE 121 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 62.75 62.31 2kbz n ILE 121 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.61 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 0.00 2.51 -0.45 6.28 -0.04 -1.26 -4.83 135.00 137.21 2kbz n PRO 122 Ca 0.00 0.88 0.34 0.00 -0.04 0.00 0.00 63.50 64.68 2kbz n PRO 122 Cb 0.00 -2.99 0.53 0.00 -0.04 0.00 0.00 33.50 31.00 2kbz n PRO 122 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kbz n SER 123 N 8.43 0.00 -0.01 3.54 7.64 -1.26 -1.49 113.62 130.47 2kbz n SER 123 Ca 0.23 0.65 -0.17 0.00 1.01 0.00 0.00 58.87 60.60 2kbz n SER 123 Cb 0.39 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 63.18 2kbz n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kbz h THR 124 N 0.00 1.36 0.00 0.44 1.03 -2.02 -3.33 112.91 110.39 2kbz h THR 124 Ca 0.61 -1.96 -0.10 0.00 -0.01 0.00 0.00 66.41 64.95 2kbz h THR 124 Cb 2.50 2.30 -0.01 0.00 -1.07 0.00 0.00 68.15 71.87 2kbz h THR 124 CO -0.01 0.59 -0.45 0.16 -0.01 0.00 0.00 175.52 175.80 2kbz h ILE 125 N 0.14 1.16 0.00 0.00 -2.65 -1.63 -3.18 117.51 111.34 2kbz h ILE 125 Ca -0.06 -1.65 -0.01 0.00 1.03 0.00 0.00 64.86 64.17 2kbz h ILE 125 Cb 1.28 1.93 -0.00 0.00 -2.05 0.00 0.00 36.82 37.98 2kbz h ILE 125 CO 0.13 0.45 -0.06 0.25 0.03 0.00 0.00 178.15 178.94 2kbz h LEU 126 N 0.00 0.00 -0.26 0.16 5.85 -1.67 0.95 115.31 120.34 2kbz h LEU 126 Ca -0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 2kbz h LEU 126 Cb 0.90 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 2kbz h LEU 126 CO 0.06 0.06 -0.87 0.11 -0.34 0.00 0.00 178.44 177.46 2kbz h LYS 127 N 0.00 0.01 0.00 1.25 1.57 -1.67 -3.21 116.57 114.51 2kbz h LYS 127 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2kbz h LYS 127 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2kbz h LYS 127 CO 0.01 0.87 0.00 1.17 -0.57 0.00 0.00 179.45 180.93 2kbz n LYS 128 N -3.51 0.15 -0.17 3.15 4.81 0.23 -2.31 118.16 120.51 2kbz n LYS 128 Ca -0.01 0.37 0.08 0.00 -0.87 0.00 0.00 58.31 57.89 2kbz n LYS 128 Cb 0.83 -1.78 0.38 0.00 0.02 0.00 0.00 35.03 34.48 2kbz n LYS 128 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2kbz h LEU 129 N 0.00 0.61 0.04 3.14 7.12 -1.30 -3.35 115.31 121.57 2kbz h LEU 129 Ca 0.00 0.01 -0.29 0.00 0.13 0.00 0.00 57.88 57.73 2kbz h LEU 129 Cb 0.35 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.32 2kbz h LEU 129 CO 0.00 0.39 -1.56 0.78 -0.13 0.00 0.00 178.44 177.92 2kbz h ASN 130 N 0.69 0.12 0.07 1.25 2.35 -1.67 -3.36 115.58 115.02 2kbz h ASN 130 Ca 0.32 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2kbz h ASN 130 Cb 0.35 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2kbz h ASN 130 CO -0.11 1.18 0.00 -0.81 -1.65 0.00 0.00 177.43 176.04 2kbz n PRO 131 N -3.23 0.02 0.00 0.81 -0.04 -1.25 -4.75 135.00 126.55 2kbz n PRO 131 Ca -0.15 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2kbz n PRO 131 Cb 1.03 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 -1.40 0.00 -0.11 0.54 0.18 -1.26 -4.69 117.16 110.41 2kbz n TYR 132 Ca 0.01 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.56 2kbz n TYR 132 Cb 0.02 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.89 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 0.00 0.56 -0.66 -3.48 0.63 -1.26 -4.67 116.66 107.78 2kbz n ARG 133 Ca 0.00 0.44 -0.08 0.00 -0.92 0.00 0.00 57.85 57.29 2kbz n ARG 133 Cb 0.00 -1.63 0.02 0.00 0.45 0.00 0.00 32.46 31.29 2kbz n ARG 133 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2kbz n LYS 134 N -4.39 1.38 0.00 -0.14 3.00 -1.26 -1.86 118.16 114.89 2kbz n LYS 134 Ca -0.37 -0.74 0.00 0.00 -0.00 0.00 0.00 58.31 57.20 2kbz n LYS 134 Cb 0.71 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 34.45 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 0.90 -0.25 -3.98 1.64 2.81 -1.26 -5.08 117.12 111.90 2kbz n MET 135 Ca 0.14 -0.19 -0.09 0.00 -1.81 0.00 0.00 57.70 55.75 2kbz n MET 135 Cb 0.55 -0.68 -0.11 0.00 -0.71 0.00 0.00 33.22 32.28 2kbz n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kbz s ALA 136 N -0.02 0.11 -2.95 3.04 0.00 -0.78 -5.08 121.76 116.09 2kbz s ALA 136 Ca 0.00 -0.63 0.24 0.00 0.00 0.00 0.00 51.96 51.58 2kbz s ALA 136 Cb 0.00 0.17 0.28 0.00 0.00 0.00 0.00 23.12 23.58 2kbz s ALA 136 CO 0.00 -0.21 1.31 0.54 0.00 0.00 0.00 175.76 177.40