#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 3.27 0.39 -1.09 3.00 -1.26 -5.02 118.95 118.24 2kbz s ARG 40 Ca 0.00 -0.73 0.11 0.00 0.00 0.00 0.00 55.73 55.11 2kbz s ARG 40 Cb 0.00 -3.27 0.90 0.00 0.00 0.00 0.00 34.95 32.58 2kbz s ARG 40 CO 0.00 -0.33 1.92 0.28 0.00 0.00 0.00 175.30 177.17 2kbz h VAL 41 N 5.77 0.88 0.00 3.52 2.07 -2.08 -0.62 116.25 125.79 2kbz h VAL 41 Ca -0.35 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 2kbz h VAL 41 Cb 1.14 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2kbz h VAL 41 CO 0.60 0.11 -0.32 0.11 0.02 0.00 0.00 177.57 178.08 2kbz h LYS 42 N 0.58 0.00 -0.14 1.57 1.79 -2.00 -3.33 116.57 115.03 2kbz h LYS 42 Ca 0.36 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.88 2kbz h LYS 42 Cb 0.62 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 2kbz h LYS 42 CO -0.13 0.32 0.19 -0.09 -1.08 0.00 0.00 179.45 178.65 2kbz h ARG 43 N 0.00 0.00 0.00 3.15 2.43 -1.52 0.25 114.38 118.68 2kbz h ARG 43 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kbz h ARG 43 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2kbz h ARG 43 CO 0.04 0.00 -0.00 1.25 -1.51 0.00 0.00 179.97 179.75 2kbz h LEU 44 N 0.00 -0.00 0.00 3.80 5.85 -1.75 -3.39 115.31 119.82 2kbz h LEU 44 Ca 0.07 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.91 2kbz h LEU 44 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2kbz h LEU 44 CO -0.00 0.88 -0.67 0.17 -0.34 0.00 0.00 178.44 178.48 2kbz h LEU 45 N -0.88 0.00 0.00 2.25 8.10 -1.68 -2.70 115.31 120.40 2kbz h LEU 45 Ca -0.00 -0.09 0.00 0.00 0.11 0.00 0.00 57.88 57.90 2kbz h LEU 45 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.09 2kbz h LEU 45 CO 0.00 0.04 0.00 -1.54 -4.11 0.00 0.00 178.44 172.83 2kbz n SER 46 N -2.48 0.00 0.00 0.17 3.41 0.84 -0.81 113.62 114.75 2kbz n SER 46 Ca 0.02 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 2kbz n SER 46 Cb 0.50 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2kbz n SER 46 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2kbz n ILE 47 N -1.08 0.00 -2.42 -1.33 -5.35 -1.25 -4.70 119.36 103.22 2kbz n ILE 47 Ca 0.15 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.20 2kbz n ILE 47 Cb 0.10 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 2kbz n ILE 47 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2kbz n THR 48 N -1.54 3.95 0.00 7.28 -2.24 -1.02 -2.11 114.28 118.60 2kbz n THR 48 Ca 0.00 -4.02 0.00 0.00 -2.27 0.00 0.00 64.05 57.76 2kbz n THR 48 Cb 0.00 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 65.79 2kbz n THR 48 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2kbz n ASN 49 N 6.64 0.00 -3.99 3.42 3.02 -1.24 -4.18 115.26 118.93 2kbz n ASN 49 Ca 0.46 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 2kbz n ASN 49 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 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 0.13 6.41 2.03 0.01 -4.94 116.55 120.19 2kbz n ASP 50 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 2kbz n ASP 50 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 2kbz n ASP 50 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2kbz h LYS 51 N 0.00 0.00 0.00 -0.67 3.64 -1.84 -3.36 116.57 114.34 2kbz h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kbz h LYS 51 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2kbz h LYS 51 CO 0.00 0.03 0.00 0.72 -2.27 0.00 0.00 179.45 177.93 2kbz n HIS 52 N -2.81 0.15 -0.27 1.91 8.25 -1.23 -3.99 115.22 117.24 2kbz n HIS 52 Ca 0.01 0.05 0.07 0.00 -0.26 0.00 0.00 57.72 57.59 2kbz n HIS 52 Cb 0.56 -0.58 0.21 0.00 1.12 0.00 0.00 29.99 31.31 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 0.00 0.14 -0.21 0.41 2.03 -1.58 0.33 116.42 117.54 2kbz h ASP 53 Ca 0.00 0.14 -0.20 0.00 -0.73 0.00 0.00 57.03 56.24 2kbz h ASP 53 Cb 0.50 0.16 0.01 0.00 -0.83 0.00 0.00 39.33 39.17 2kbz h ASP 53 CO 0.00 -0.00 -0.67 1.05 -1.03 0.00 0.00 179.24 178.59 2kbz h GLU 54 N 0.33 0.82 -0.24 4.15 4.11 -1.89 -2.84 114.58 119.02 2kbz h GLU 54 Ca 0.45 -0.61 -0.19 0.00 0.07 0.00 0.00 59.36 59.08 2kbz h GLU 54 Cb 0.78 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2kbz h GLU 54 CO -0.50 1.22 -0.61 -0.92 0.07 0.00 0.00 179.01 178.28 2kbz h TYR 55 N 0.58 1.02 -0.11 2.06 3.20 -1.42 -1.50 116.97 120.80 2kbz h TYR 55 Ca -0.02 -0.39 -0.07 0.00 3.14 0.00 0.00 58.73 61.39 2kbz h TYR 55 Cb 1.29 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2kbz h TYR 55 CO 0.08 1.20 -0.20 1.37 -1.64 0.00 0.00 178.16 178.97 2kbz h LEU 56 N 0.59 0.37 -1.74 2.82 -0.00 -0.55 -3.22 115.31 113.57 2kbz h LEU 56 Ca -0.00 -0.55 0.21 0.00 -0.00 0.00 0.00 57.88 57.53 2kbz h LEU 56 Cb 1.21 -0.11 -0.05 0.00 -0.00 0.00 0.00 40.66 41.72 2kbz h LEU 56 CO 0.13 0.85 0.57 0.71 -0.00 0.00 0.00 178.44 180.70 2kbz h THR 57 N -0.10 0.66 -0.54 0.15 1.35 -1.57 -3.05 112.91 109.82 2kbz h THR 57 Ca 0.01 -0.07 -0.07 0.00 -0.55 0.00 0.00 66.41 65.72 2kbz h THR 57 Cb 0.78 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.60 2kbz h THR 57 CO 0.05 0.04 0.06 -0.33 -0.25 0.00 0.00 175.52 175.09 2kbz h GLU 58 N 0.22 0.90 -0.77 4.72 4.39 -1.28 -3.32 114.58 119.44 2kbz h GLU 58 Ca 0.41 -0.25 0.15 0.00 0.34 0.00 0.00 59.36 60.01 2kbz h GLU 58 Cb 1.29 -0.10 -0.15 0.00 -0.10 0.00 0.00 28.75 29.69 2kbz h GLU 58 CO -0.09 0.89 -0.21 0.52 -1.16 0.00 0.00 179.01 178.96 2kbz h MET 59 N 0.79 -0.01 0.66 2.33 2.86 -1.62 -2.95 114.93 116.99 2kbz h MET 59 Ca 0.16 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2kbz h MET 59 Cb 0.44 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.11 2kbz h MET 59 CO 0.01 -0.01 -0.32 0.28 1.06 0.00 0.00 176.91 177.94 2kbz h VAL 60 N -0.01 0.00 0.00 -2.22 2.07 -1.67 -2.95 116.25 111.47 2kbz h VAL 60 Ca 0.36 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2kbz h VAL 60 Cb 0.57 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2kbz h VAL 60 CO -0.80 0.00 0.26 -0.65 0.02 0.00 0.00 177.57 176.40 2kbz h PRO 61 N -1.24 0.00 -0.50 1.57 0.11 -1.66 0.39 132.00 130.67 2kbz h PRO 61 Ca -0.09 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.92 2kbz h PRO 61 Cb 0.68 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 2kbz h PRO 61 CO 0.15 0.00 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.79 2kbz h LEU 62 N 0.00 0.94 -0.02 2.35 4.07 -1.36 0.49 115.31 121.77 2kbz h LEU 62 Ca 0.00 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 57.61 2kbz h LEU 62 Cb 0.52 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2kbz h LEU 62 CO 0.00 1.06 -0.03 0.25 -1.08 0.00 0.00 178.44 178.64 2kbz h LEU 63 N 0.80 0.05 -1.96 1.67 5.85 -0.38 -2.93 115.31 118.42 2kbz h LEU 63 Ca 0.13 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 2kbz h LEU 63 Cb 0.63 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2kbz h LEU 63 CO 0.04 0.60 -0.04 0.58 -0.34 0.00 0.00 178.44 179.28 2kbz h VAL 64 N -0.49 1.00 -0.05 1.05 2.07 -0.52 0.62 116.25 119.92 2kbz h VAL 64 Ca 0.00 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2kbz h VAL 64 Cb 0.59 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2kbz h VAL 64 CO 0.01 0.03 -0.07 1.05 0.02 0.00 0.00 177.57 178.61 2kbz h GLU 65 N 0.00 0.13 0.33 1.57 4.11 -0.98 0.06 114.58 119.80 2kbz h GLU 65 Ca -0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 2kbz h GLU 65 Cb 0.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2kbz h GLU 65 CO 0.00 0.62 -0.25 0.35 0.07 0.00 0.00 179.01 179.81 2kbz h PHE 66 N -0.35 -0.65 -0.23 2.06 3.04 -1.26 -2.79 116.94 116.77 2kbz h PHE 66 Ca 0.01 -0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.81 2kbz h PHE 66 Cb 0.61 0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.36 2kbz h PHE 66 CO 0.10 -0.37 -0.40 0.00 -2.02 0.00 0.00 178.31 175.62 2kbz h ALA 67 N 0.04 0.36 0.00 2.41 0.00 -1.02 -3.33 119.26 117.71 2kbz h ALA 67 Ca -0.03 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 2kbz h ALA 67 Cb 0.50 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kbz h ALA 67 CO -0.00 0.46 -0.36 -0.22 0.00 0.00 0.00 179.25 179.12 2kbz h LYS 68 N 0.38 0.00 -0.18 0.00 1.63 -1.08 -3.32 116.57 114.00 2kbz h LYS 68 Ca 0.01 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.87 2kbz h LYS 68 Cb 1.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 2kbz h LYS 68 CO 0.09 0.36 0.28 0.22 -3.45 0.00 0.00 179.45 176.95 2kbz h ASP 69 N 0.00 0.00 -0.14 4.20 3.58 -1.61 -2.14 116.42 120.32 2kbz h ASP 69 Ca -0.00 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.49 2kbz h ASP 69 Cb 1.06 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2kbz h ASP 69 CO 0.05 0.00 0.18 -0.08 -2.88 0.00 0.00 179.24 176.51 2kbz h GLU 70 N 0.00 0.00 -0.17 0.28 4.57 -1.79 -3.37 114.58 114.11 2kbz h GLU 70 Ca 0.09 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2kbz h GLU 70 Cb 0.64 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2kbz h GLU 70 CO -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 179.01 177.81 2kbz n HIS 72 N -0.91 0.00 -3.02 0.00 8.25 -1.26 -4.76 115.22 113.52 2kbz n HIS 72 Ca 0.20 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.27 2kbz n HIS 72 Cb 0.81 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.86 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 0.00 7.28 0.07 0.41 6.03 -1.26 -5.01 114.94 122.45 2kbz s ASN 73 Ca 0.00 1.51 0.25 0.00 -1.03 0.00 0.00 52.86 53.59 2kbz s ASN 73 Cb 0.00 -2.47 0.48 0.00 -3.03 0.00 0.00 41.25 36.23 2kbz s ASN 73 CO 0.00 0.15 1.41 -0.81 -2.03 0.00 0.00 177.10 175.81 2kbz n PRO 74 N 2.07 0.16 0.00 3.55 -0.04 -1.26 -4.47 135.00 135.01 2kbz n PRO 74 Ca -0.05 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2kbz n PRO 74 Cb 0.50 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.83 0.00 -2.89 0.54 1.16 -1.26 -4.90 117.46 108.27 2kbz n PHE 75 Ca 0.04 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.30 2kbz n PHE 75 Cb 0.39 -0.46 -0.05 0.00 -1.61 0.00 0.00 39.48 37.75 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 0.00 4.60 0.37 1.97 1.01 -1.26 -3.28 121.20 124.61 2kbz s ILE 76 Ca 0.00 1.07 0.08 0.00 0.00 0.00 0.00 60.65 61.80 2kbz s ILE 76 Cb 0.00 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2kbz s ILE 76 CO 0.00 -0.36 0.10 -1.81 0.00 0.00 0.00 174.94 172.87 2kbz s ASP 77 N -2.52 4.32 0.64 3.58 1.01 0.26 -4.95 116.67 119.00 2kbz s ASP 77 Ca 0.56 -1.03 0.13 0.00 0.71 0.00 0.00 52.55 52.93 2kbz s ASP 77 Cb -0.10 -0.53 0.57 0.00 1.01 0.00 0.00 42.92 43.88 2kbz s ASP 77 CO 0.21 -0.38 1.27 0.07 0.21 0.00 0.00 175.17 176.55 2kbz h LYS 78 N 1.62 0.00 -0.01 8.23 2.10 -2.00 0.19 116.57 126.71 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 0.69 0.00 -0.51 -3.47 -2.00 0.00 0.00 179.45 174.16 2kbz n ASP 79 N -2.82 1.65 -0.14 7.07 2.03 -1.26 -4.95 116.55 118.13 2kbz n ASP 79 Ca 0.06 -1.33 0.00 0.00 0.52 0.00 0.00 54.79 54.04 2kbz n ASP 79 Cb 1.01 0.58 0.00 0.00 -0.72 0.00 0.00 41.12 41.99 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 1.33 0.80 3.93 0.27 0.00 0.68 -5.09 105.19 107.10 2kbz n GLY 80 Ca 0.07 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 2kbz n GLY 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kbz s ASN 81 N -2.79 6.33 0.23 1.61 2.47 -1.21 -4.82 114.94 116.77 2kbz s ASN 81 Ca 0.00 0.52 -0.06 0.00 0.42 0.00 0.00 52.86 53.74 2kbz s ASN 81 Cb 0.00 -2.06 -0.06 0.00 -1.45 0.00 0.00 41.25 37.68 2kbz s ASN 81 CO 0.00 -0.26 0.50 -1.61 -3.72 0.00 0.00 177.10 172.01 2kbz s GLU 82 N -4.09 3.66 -0.26 0.43 8.01 -1.26 -0.58 118.70 124.62 2kbz s GLU 82 Ca 0.41 0.02 -0.21 0.00 0.01 0.00 0.00 54.97 55.20 2kbz s GLU 82 Cb -0.10 -2.71 0.07 0.00 -4.31 0.00 0.00 34.13 27.08 2kbz s GLU 82 CO 0.35 0.31 0.66 0.45 0.01 0.00 0.00 175.26 177.04 2kbz s SER 83 N -2.81 -0.76 -0.03 -0.19 0.15 -1.20 -4.91 113.70 103.94 2kbz s SER 83 Ca 0.44 1.38 -0.03 0.00 0.70 0.00 0.00 55.95 58.44 2kbz s SER 83 Cb -0.11 1.35 0.01 0.00 -1.71 0.00 0.00 66.02 65.55 2kbz s SER 83 CO 0.27 -0.23 0.08 0.27 1.20 0.00 0.00 173.24 174.82 2kbz s ILE 84 N 0.76 -0.00 1.08 6.45 -4.36 -1.26 -4.76 121.20 119.11 2kbz s ILE 84 Ca -0.03 0.02 -0.18 0.00 -0.26 0.00 0.00 60.65 60.19 2kbz s ILE 84 Cb -0.05 -0.12 0.25 0.00 1.25 0.00 0.00 42.46 43.79 2kbz s ILE 84 CO -0.06 0.01 1.27 -2.16 0.24 0.00 0.00 174.94 174.24 2kbz s PRO 85 N 0.13 -0.31 0.29 0.37 0.04 -1.26 -4.83 135.00 129.43 2kbz s PRO 85 Ca -0.01 -0.41 0.04 0.00 0.04 0.00 0.00 61.00 60.67 2kbz s PRO 85 Cb -0.02 -1.73 0.72 0.00 0.04 0.00 0.00 34.50 33.51 2kbz s PRO 85 CO -0.00 -3.05 1.71 0.77 0.04 0.00 0.00 177.00 176.47 2kbz h SER 86 N -2.10 0.42 0.03 6.66 0.02 -2.03 -2.30 113.55 114.26 2kbz h SER 86 Ca -0.43 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2kbz h SER 86 Cb 1.24 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2kbz h SER 86 CO 0.31 0.05 -0.01 1.23 -1.14 0.00 0.00 176.83 177.27 2kbz h GLY 87 N 0.47 -0.04 2.00 -3.77 0.00 -1.98 -2.44 103.07 97.31 2kbz h GLY 87 Ca 0.56 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.87 2kbz h GLY 87 CO -0.49 -0.02 -0.18 -0.39 0.00 0.00 0.00 176.54 175.46 2kbz h VAL 88 N -0.63 0.68 -0.36 4.60 -1.51 -1.85 -2.63 116.25 114.55 2kbz h VAL 88 Ca -0.00 -0.76 -0.16 0.00 -1.23 0.00 0.00 66.70 64.55 2kbz h VAL 88 Cb 0.57 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 2kbz h VAL 88 CO 0.01 0.17 -0.39 0.25 -1.23 0.00 0.00 177.57 176.38 2kbz h LEU 89 N 0.00 0.94 -1.32 4.19 5.85 -1.45 -0.36 115.31 123.16 2kbz h LEU 89 Ca -0.00 -0.43 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 2kbz h LEU 89 Cb 0.46 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2kbz h LEU 89 CO 0.02 1.21 -0.30 0.16 -0.34 0.00 0.00 178.44 179.20 2kbz h ILE 90 N 0.72 1.23 0.66 4.05 3.07 -1.07 -1.03 117.51 125.13 2kbz h ILE 90 Ca 0.06 -1.09 -0.03 0.00 1.55 0.00 0.00 64.86 65.34 2kbz h ILE 90 Cb 0.97 1.54 0.01 0.00 -0.27 0.00 0.00 36.82 39.07 2kbz h ILE 90 CO 0.09 0.32 -0.32 0.15 -1.05 0.00 0.00 178.15 177.34 2kbz h PHE 91 N 0.05 -0.82 0.08 0.16 3.57 -1.47 -2.76 116.94 115.76 2kbz h PHE 91 Ca 0.01 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2kbz h PHE 91 Cb 0.56 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.53 2kbz h PHE 91 CO 0.00 -0.48 -0.42 0.28 -2.23 0.00 0.00 178.31 175.47 2kbz h VAL 92 N -1.14 0.00 -0.21 1.41 2.07 -0.75 0.13 116.25 117.76 2kbz h VAL 92 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2kbz h VAL 92 Cb 0.71 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2kbz h VAL 92 CO 0.15 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.88 2kbz h ALA 93 N -0.74 0.27 -0.02 1.67 0.00 -1.39 -2.83 119.26 116.21 2kbz h ALA 93 Ca -0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2kbz h ALA 93 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kbz h ALA 93 CO -0.24 -0.24 -0.78 0.87 0.00 0.00 0.00 179.25 178.86 2kbz h LYS 94 N 0.28 0.18 -0.29 0.00 1.57 -1.44 -1.39 116.57 115.48 2kbz h LYS 94 Ca 0.08 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2kbz h LYS 94 Cb -0.02 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2kbz h LYS 94 CO -0.02 0.87 0.18 0.00 -0.57 0.00 0.00 179.45 179.92 2kbz h ALA 95 N 1.07 0.36 0.02 3.86 0.00 -1.04 -2.08 119.26 121.46 2kbz h ALA 95 Ca -0.03 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 2kbz h ALA 95 Cb 1.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2kbz h ALA 95 CO 0.12 -0.18 -1.00 0.00 0.00 0.00 0.00 179.25 178.19 2kbz h ALA 96 N 1.11 0.38 0.00 0.00 0.00 -1.55 -1.33 119.26 117.87 2kbz h ALA 96 Ca 0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 2kbz h ALA 96 Cb -0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kbz h ALA 96 CO -0.03 1.11 -0.16 -0.56 0.00 0.00 0.00 179.25 179.61 2kbz h GLN 97 N 0.03 0.00 0.23 0.00 3.07 -1.24 0.23 115.11 117.43 2kbz h GLN 97 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 2kbz h GLN 97 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.28 2kbz h GLN 97 CO 0.14 0.16 -0.11 0.35 0.09 0.00 0.00 178.83 179.46 2kbz h PHE 98 N 0.00 -0.29 0.05 0.06 3.04 -1.35 -3.41 116.94 115.04 2kbz h PHE 98 Ca -0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 2kbz h PHE 98 Cb 0.72 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.33 2kbz h PHE 98 CO 0.00 0.02 -0.02 -0.92 -2.02 0.00 0.00 178.31 175.37 2kbz h TYR 99 N -0.99 -0.06 -0.23 0.41 5.03 -1.20 -3.38 116.97 116.56 2kbz h TYR 99 Ca -0.03 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.34 2kbz h TYR 99 Cb 0.44 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 2kbz h TYR 99 CO 0.05 0.50 0.18 1.98 -1.32 0.00 0.00 178.16 179.54 2kbz h MET 100 N -0.67 0.00 -0.24 1.82 4.05 -1.21 -0.56 114.93 118.12 2kbz h MET 100 Ca -0.01 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.48 2kbz h MET 100 Cb 0.58 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 2kbz h MET 100 CO 0.01 0.00 0.34 1.15 0.23 0.00 0.00 176.91 178.64 2kbz h THR 101 N 0.00 0.30 -0.48 -0.77 2.02 -1.76 0.57 112.91 112.79 2kbz h THR 101 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2kbz h THR 101 Cb 0.46 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2kbz h THR 101 CO -0.00 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 175.43 2kbz n ASN 102 N -3.52 3.37 -1.88 4.18 6.94 -0.22 -4.57 115.26 119.57 2kbz n ASN 102 Ca 0.03 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.63 2kbz n ASN 102 Cb 0.46 -0.32 0.34 0.00 -2.36 0.00 0.00 39.78 37.91 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 1.16 4.22 0.76 -2.53 0.00 0.19 -1.02 120.51 123.30 2kbz n ALA 103 Ca 0.18 -2.21 0.12 0.00 0.00 0.00 0.00 53.44 51.53 2kbz n ALA 103 Cb 0.53 -1.16 0.22 0.00 0.00 0.00 0.00 19.45 19.04 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 0.10 -1.35 0.93 0.00 0.00 -1.26 -4.08 105.19 99.53 2kbz n GLY 104 Ca 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.83 0.58 -2.24 0.99 -0.00 -1.08 -4.77 117.00 108.65 2kbz n LEU 105 Ca 0.04 0.08 -0.31 0.00 -0.00 0.00 0.00 56.01 55.82 2kbz n LEU 105 Cb 0.39 -0.20 0.10 0.00 -0.00 0.00 0.00 43.42 43.71 2kbz n LEU 105 CO 0.35 -0.23 1.28 1.07 -0.00 0.00 0.00 177.39 179.87 2kbz n THR 106 N -3.30 3.42 -2.08 1.47 5.66 -0.19 -4.97 114.28 114.30 2kbz n THR 106 Ca -0.04 -2.87 -0.22 0.00 -3.05 0.00 0.00 64.05 57.87 2kbz n THR 106 Cb 0.36 -1.01 0.14 0.00 -1.55 0.00 0.00 70.33 68.26 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 -0.95 -0.56 3.32 1.09 0.00 -1.26 -4.78 105.19 102.06 2kbz n GLY 107 Ca 0.60 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 2kbz n GLY 107 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kbz s ARG 108 N -5.04 1.01 -0.98 1.61 3.03 -1.26 -5.06 118.95 112.25 2kbz s ARG 108 Ca 0.58 -0.55 -0.04 0.00 2.03 0.00 0.00 55.73 57.75 2kbz s ARG 108 Cb -0.02 0.45 0.13 0.00 -1.03 0.00 0.00 34.95 34.47 2kbz s ARG 108 CO 0.40 -0.37 2.46 0.43 -1.13 0.00 0.00 175.30 177.08 2kbz n SER 109 N 0.10 7.44 0.00 -2.89 7.64 -1.26 -4.76 113.62 119.88 2kbz n SER 109 Ca -0.17 -3.24 0.00 0.00 1.01 0.00 0.00 58.87 56.47 2kbz n SER 109 Cb 0.62 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2kbz n SER 109 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2kbz n MET 110 N 1.19 0.00 0.00 1.43 0.00 -1.26 -4.83 117.12 113.65 2kbz n MET 110 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.26 2kbz n MET 110 Cb 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 33.22 33.26 2kbz n MET 110 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2kbz n ASP 111 N 1.11 0.00 0.00 7.83 2.03 -1.26 -1.04 116.55 125.22 2kbz n ASP 111 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kbz n ASP 111 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2kbz n ASP 111 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2kbz n THR 112 N 0.00 0.54 0.00 5.18 5.66 -1.26 -5.01 114.28 119.39 2kbz n THR 112 Ca 0.00 -0.71 0.00 0.00 -3.05 0.00 0.00 64.05 60.29 2kbz n THR 112 Cb 0.00 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 2kbz n THR 112 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2kbz n VAL 113 N -0.27 0.00 -3.41 1.08 3.14 -0.21 -4.90 118.33 113.77 2kbz n VAL 113 Ca 0.00 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 60.94 2kbz n VAL 113 Cb 0.18 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.93 2kbz n VAL 113 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2kbz s SER 114 N 0.34 6.72 -0.02 6.55 0.01 -1.26 -5.00 113.70 121.04 2kbz s SER 114 Ca 0.00 -3.14 -0.04 0.00 1.31 0.00 0.00 55.95 54.08 2kbz s SER 114 Cb 0.00 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 2kbz s SER 114 CO 0.00 -0.41 0.35 0.10 0.41 0.00 0.00 173.24 173.69 2kbz h TYR 115 N 7.12 -0.14 0.00 2.43 -0.00 -1.91 -3.48 116.97 120.98 2kbz h TYR 115 Ca 0.13 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.73 58.71 2kbz h TYR 115 Cb 0.95 0.05 -0.12 0.00 -0.00 0.00 0.00 36.73 37.61 2kbz h TYR 115 CO 0.87 -0.09 -0.06 0.27 -0.00 0.00 0.00 178.16 179.16 2kbz n ASN 116 N -3.22 -1.51 0.03 0.10 2.04 -1.26 -5.01 115.26 106.43 2kbz n ASN 116 Ca -0.02 -2.30 0.03 0.00 -0.44 0.00 0.00 54.58 51.85 2kbz n ASN 116 Cb 0.06 1.31 0.14 0.00 -2.53 0.00 0.00 39.78 38.77 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 0.28 0.12 0.23 -2.53 3.72 -1.26 -1.39 117.46 116.63 2kbz n PHE 117 Ca -0.05 0.06 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 2kbz n PHE 117 Cb 0.74 -0.60 0.31 0.00 -0.94 0.00 0.00 39.48 38.99 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 2.09 0.99 0.00 4.37 0.00 -1.97 -3.35 119.26 121.39 2kbz h ALA 118 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kbz h ALA 118 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kbz h ALA 118 CO 0.00 0.03 -0.18 2.41 0.00 0.00 0.00 179.25 181.51 2kbz n THR 119 N -3.11 0.99 0.77 0.00 -1.04 -0.49 -4.81 114.28 106.60 2kbz n THR 119 Ca 0.03 -1.17 0.09 0.00 -2.04 0.00 0.00 64.05 60.96 2kbz n THR 119 Cb 0.47 0.19 0.06 0.00 -1.82 0.00 0.00 70.33 69.23 2kbz n THR 119 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2kbz n GLU 120 N -0.73 1.58 -4.12 -2.82 4.07 -1.14 -4.98 120.64 112.51 2kbz n GLU 120 Ca 0.08 -1.43 -0.08 0.00 -0.06 0.00 0.00 57.16 55.66 2kbz n GLU 120 Cb 0.61 -1.35 -0.10 0.00 -0.06 0.00 0.00 31.44 30.55 2kbz n GLU 120 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 2kbz s ILE 121 N -1.66 0.19 0.56 6.31 -5.25 -1.26 -4.76 121.20 115.33 2kbz s ILE 121 Ca 0.20 -1.86 -0.17 0.00 -0.99 0.00 0.00 60.65 57.82 2kbz s ILE 121 Cb 0.15 -1.77 -0.05 0.00 2.95 0.00 0.00 42.46 43.74 2kbz s ILE 121 CO 0.28 -0.75 1.07 -2.16 -1.79 0.00 0.00 174.94 171.59 2kbz s PRO 122 N -3.98 3.41 0.59 0.37 0.04 -1.26 -4.99 135.00 129.17 2kbz s PRO 122 Ca 0.15 1.31 0.31 0.00 0.04 0.00 0.00 61.00 62.81 2kbz s PRO 122 Cb 0.08 -2.04 1.82 0.00 0.04 0.00 0.00 34.50 34.40 2kbz s PRO 122 CO -0.04 -0.75 2.23 0.77 0.04 0.00 0.00 177.00 179.25 2kbz h SER 123 N 0.79 0.00 0.35 6.66 0.02 -1.99 -3.10 113.55 116.29 2kbz h SER 123 Ca -0.48 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 2kbz h SER 123 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2kbz h SER 123 CO 0.57 0.02 -0.17 0.74 -1.14 0.00 0.00 176.83 176.86 2kbz h THR 124 N 0.00 0.38 0.00 -2.27 2.02 -2.03 -3.35 112.91 107.66 2kbz h THR 124 Ca -0.00 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.38 2kbz h THR 124 Cb 0.07 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2kbz h THR 124 CO 0.00 0.09 -0.41 0.40 0.37 0.00 0.00 175.52 175.97 2kbz h ILE 125 N -1.00 1.06 -0.56 3.11 1.08 -1.96 -3.17 117.51 116.07 2kbz h ILE 125 Ca -0.05 -1.53 0.16 0.00 -0.39 0.00 0.00 64.86 63.05 2kbz h ILE 125 Cb 0.50 1.88 -0.02 0.00 -3.07 0.00 0.00 36.82 36.12 2kbz h ILE 125 CO 0.08 0.40 0.53 0.25 -0.69 0.00 0.00 178.15 178.72 2kbz h LEU 126 N 0.00 0.00 -0.66 1.44 5.85 -1.67 0.40 115.31 120.67 2kbz h LEU 126 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2kbz h LEU 126 Cb 0.85 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2kbz h LEU 126 CO 0.05 0.00 -0.40 0.50 -0.34 0.00 0.00 178.44 178.25 2kbz h LYS 127 N 0.00 0.00 0.00 1.25 3.64 -1.67 -3.15 116.57 116.63 2kbz h LYS 127 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2kbz h LYS 127 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2kbz h LYS 127 CO -0.00 0.40 -0.28 1.63 -2.27 0.00 0.00 179.45 178.92 2kbz n LYS 128 N -3.41 0.24 -0.28 1.90 4.01 0.14 -3.95 118.16 116.81 2kbz n LYS 128 Ca 0.01 0.14 0.02 0.00 -0.51 0.00 0.00 58.31 57.96 2kbz n LYS 128 Cb 0.57 -1.72 0.15 0.00 -0.51 0.00 0.00 35.03 33.52 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 0.68 0.08 -0.35 7.12 -1.44 -3.33 115.31 118.08 2kbz h LEU 129 Ca 0.00 0.04 -0.19 0.00 0.13 0.00 0.00 57.88 57.86 2kbz h LEU 129 Cb 0.71 -0.10 0.02 0.00 -0.53 0.00 0.00 40.66 40.77 2kbz h LEU 129 CO 0.00 0.41 -0.77 0.78 -0.13 0.00 0.00 178.44 178.73 2kbz h ASN 130 N 0.81 0.54 0.00 1.25 2.35 -1.76 -3.38 115.58 115.39 2kbz h ASN 130 Ca 0.38 -0.85 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2kbz h ASN 130 Cb 0.30 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2kbz h ASN 130 CO -0.22 1.34 0.20 -2.65 -1.65 0.00 0.00 177.43 174.45 2kbz n PRO 131 N -4.13 0.00 0.00 0.81 -0.02 -1.25 -2.74 135.00 127.67 2kbz n PRO 131 Ca -0.12 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2kbz n PRO 131 Cb 0.78 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 2kbz n PRO 131 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2kbz n TYR 132 N -1.14 0.00 0.00 6.00 9.36 -1.26 -4.91 117.16 125.21 2kbz n TYR 132 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2kbz n TYR 132 Cb 0.20 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.91 2kbz n TYR 132 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 2kbz n ARG 133 N -0.20 0.00 0.00 2.98 -4.01 -1.11 -4.20 116.66 110.12 2kbz n ARG 133 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2kbz n ARG 133 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2kbz n ARG 133 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 2kbz n LYS 134 N 0.00 0.00 0.00 2.89 2.85 -1.26 -4.76 118.16 117.87 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 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2kbz n LYS 134 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kbz n MET 135 N 0.00 0.00 -0.75 -1.58 0.00 -1.26 -4.43 117.12 109.09 2kbz n MET 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2kbz n MET 135 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 33.22 33.15 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 0.00 0.00 0.35 3.17 0.00 -1.26 -5.24 120.51 117.53 2kbz n ALA 136 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2kbz n ALA 136 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2kbz n ALA 136 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37