#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 1.69 0.27 3.69 0.52 -1.26 -5.07 118.95 118.80 2kbz s ARG 40 Ca 0.00 -1.18 -0.00 0.00 -0.52 0.00 0.00 55.73 54.03 2kbz s ARG 40 Cb 0.00 -1.98 0.52 0.00 0.52 0.00 0.00 34.95 34.01 2kbz s ARG 40 CO 0.00 0.49 1.83 0.28 0.02 0.00 0.00 175.30 177.92 2kbz h VAL 41 N 4.06 0.91 0.00 3.52 2.07 -2.08 -1.88 116.25 122.85 2kbz h VAL 41 Ca -0.48 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 2kbz h VAL 41 Cb 1.15 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2kbz h VAL 41 CO 0.42 0.17 -0.35 0.11 0.02 0.00 0.00 177.57 177.95 2kbz h LYS 42 N 0.94 0.00 -0.12 1.57 6.56 -2.00 -3.31 116.57 120.22 2kbz h LYS 42 Ca 0.47 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 60.10 2kbz h LYS 42 Cb 0.47 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.12 2kbz h LYS 42 CO -0.27 0.35 0.13 -0.09 -2.06 0.00 0.00 179.45 177.51 2kbz h ARG 43 N 0.00 0.00 0.00 3.15 1.12 -1.75 0.31 114.38 117.21 2kbz h ARG 43 Ca -0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 2kbz h ARG 43 Cb 0.68 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.64 2kbz h ARG 43 CO 0.04 0.00 -0.05 -0.07 -3.11 0.00 0.00 179.97 176.79 2kbz h LEU 44 N 0.00 0.04 0.00 3.80 4.07 -1.73 -3.35 115.31 118.14 2kbz h LEU 44 Ca 0.06 -0.81 0.00 0.00 0.08 0.00 0.00 57.88 57.21 2kbz h LEU 44 Cb 0.31 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.04 2kbz h LEU 44 CO -0.00 0.84 -0.30 0.17 -1.08 0.00 0.00 178.44 178.07 2kbz h LEU 45 N -0.76 0.00 -0.70 1.67 -0.00 -1.68 -1.30 115.31 112.53 2kbz h LEU 45 Ca -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2kbz h LEU 45 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 2kbz h LEU 45 CO 0.01 0.02 0.00 -0.24 -0.00 0.00 0.00 178.44 178.23 2kbz n SER 46 N -2.62 0.69 0.06 0.17 2.88 0.11 -1.76 113.62 113.14 2kbz n SER 46 Ca 0.04 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 2kbz n SER 46 Cb 0.49 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 2kbz n SER 46 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2kbz n ILE 47 N -2.26 0.50 -2.73 2.46 -5.35 -1.23 -4.61 119.36 106.14 2kbz n ILE 47 Ca 0.02 0.17 -0.43 0.00 -0.27 0.00 0.00 62.75 62.24 2kbz n ILE 47 Cb 0.24 -0.98 0.01 0.00 -1.74 0.00 0.00 39.64 37.17 2kbz n ILE 47 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 2kbz n THR 48 N -3.17 5.14 0.00 7.28 5.66 -0.49 -1.87 114.28 126.83 2kbz n THR 48 Ca 0.00 -5.44 0.00 0.00 -3.05 0.00 0.00 64.05 55.56 2kbz n THR 48 Cb 0.00 -2.10 0.00 0.00 -1.55 0.00 0.00 70.33 66.68 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 1.90 0.00 -3.66 1.09 3.02 -1.26 -4.61 115.26 111.75 2kbz n ASN 49 Ca 0.33 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 2kbz n ASN 49 Cb 0.33 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.00 0.00 0.00 6.41 8.00 -0.72 -4.83 116.55 125.40 2kbz n ASP 50 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 2kbz n ASP 50 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 2kbz n ASP 50 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2kbz n LYS 51 N 0.00 0.18 -0.23 -1.24 3.00 -1.26 -3.69 118.16 114.91 2kbz n LYS 51 Ca 0.00 0.16 0.06 0.00 -0.00 0.00 0.00 58.31 58.53 2kbz n LYS 51 Cb 0.00 -1.50 0.17 0.00 0.00 0.00 0.00 35.03 33.70 2kbz n LYS 51 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2kbz n HIS 52 N -1.23 0.52 -0.24 5.64 8.25 -0.78 -4.59 115.22 122.78 2kbz n HIS 52 Ca 0.05 -0.67 -0.07 0.00 -0.26 0.00 0.00 57.72 56.77 2kbz n HIS 52 Cb 0.07 -0.14 0.04 0.00 1.12 0.00 0.00 29.99 31.08 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 1.48 0.96 -0.08 0.41 3.58 -1.57 0.30 116.42 121.51 2kbz h ASP 53 Ca 0.00 -0.20 -0.08 0.00 0.42 0.00 0.00 57.03 57.17 2kbz h ASP 53 Cb 0.96 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2kbz h ASP 53 CO 0.07 0.91 -0.26 1.05 -2.88 0.00 0.00 179.24 178.13 2kbz h GLU 54 N 0.96 0.31 -0.44 0.28 4.11 -1.90 -2.98 114.58 114.93 2kbz h GLU 54 Ca 0.22 -0.23 -0.06 0.00 0.07 0.00 0.00 59.36 59.35 2kbz h GLU 54 Cb 0.28 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2kbz h GLU 54 CO -0.01 0.86 0.03 -0.92 0.07 0.00 0.00 179.01 179.04 2kbz h TYR 55 N -0.17 0.82 -0.29 2.06 3.20 -1.76 -1.91 116.97 118.91 2kbz h TYR 55 Ca -0.01 -0.13 -0.11 0.00 3.14 0.00 0.00 58.73 61.62 2kbz h TYR 55 Cb 0.89 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2kbz h TYR 55 CO 0.12 0.79 -0.23 1.37 -1.64 0.00 0.00 178.16 178.58 2kbz h LEU 56 N 0.61 0.71 -1.21 2.82 -0.00 -0.57 -3.30 115.31 114.37 2kbz h LEU 56 Ca 0.13 -0.45 -0.05 0.00 -0.00 0.00 0.00 57.88 57.51 2kbz h LEU 56 Cb 0.45 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 2kbz h LEU 56 CO 0.02 1.01 -0.02 0.71 -0.00 0.00 0.00 178.44 180.15 2kbz h THR 57 N 0.42 1.20 -0.58 0.15 1.35 -1.50 -3.27 112.91 110.68 2kbz h THR 57 Ca 0.05 -0.82 -0.05 0.00 -0.55 0.00 0.00 66.41 65.05 2kbz h THR 57 Cb 0.78 0.98 -0.03 0.00 -1.73 0.00 0.00 68.15 68.16 2kbz h THR 57 CO 0.06 0.28 0.16 -0.33 -0.25 0.00 0.00 175.52 175.44 2kbz h GLU 58 N 0.49 0.88 -0.82 4.72 5.08 -1.42 -3.10 114.58 120.41 2kbz h GLU 58 Ca 0.10 -0.17 0.18 0.00 -1.00 0.00 0.00 59.36 58.47 2kbz h GLU 58 Cb 0.36 -0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.36 2kbz h GLU 58 CO 0.01 0.77 0.32 0.52 -1.00 0.00 0.00 179.01 179.64 2kbz h MET 59 N 0.85 0.39 0.06 2.33 2.86 -1.67 -3.02 114.93 116.73 2kbz h MET 59 Ca 0.19 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2kbz h MET 59 Cb 0.28 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2kbz h MET 59 CO -0.01 0.26 -0.03 0.28 1.06 0.00 0.00 176.91 178.47 2kbz h VAL 60 N 0.40 1.25 0.00 -2.22 2.07 -1.65 -2.89 116.25 113.21 2kbz h VAL 60 Ca 0.48 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2kbz h VAL 60 Cb 0.84 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2kbz h VAL 60 CO -0.48 0.35 0.29 -0.65 0.02 0.00 0.00 177.57 177.10 2kbz h PRO 61 N -0.80 0.00 -0.30 1.57 0.11 -1.60 0.33 132.00 131.32 2kbz h PRO 61 Ca -0.01 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.12 2kbz h PRO 61 Cb 0.63 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 2kbz h PRO 61 CO 0.01 0.00 0.16 -0.07 -0.21 0.00 0.00 178.00 177.89 2kbz h LEU 62 N 0.00 0.25 0.23 2.35 3.38 -1.45 0.30 115.31 120.36 2kbz h LEU 62 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kbz h LEU 62 Cb 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kbz h LEU 62 CO 0.00 0.18 -0.11 0.25 0.09 0.00 0.00 178.44 178.85 2kbz h LEU 63 N 0.33 -0.26 -0.86 1.67 5.85 -0.80 -2.95 115.31 118.28 2kbz h LEU 63 Ca 0.12 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 2kbz h LEU 63 Cb 0.02 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2kbz h LEU 63 CO -0.07 0.17 -0.55 -0.37 -0.34 0.00 0.00 178.44 177.28 2kbz h VAL 64 N -0.75 1.39 -0.22 1.05 -1.51 -0.55 0.19 116.25 115.85 2kbz h VAL 64 Ca -0.03 -1.88 -0.16 0.00 -1.23 0.00 0.00 66.70 63.40 2kbz h VAL 64 Cb 0.50 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 2kbz h VAL 64 CO 0.05 0.54 -0.48 -0.08 -1.23 0.00 0.00 177.57 176.37 2kbz h GLU 65 N 0.04 0.72 0.31 5.19 4.81 -1.08 0.31 114.58 124.87 2kbz h GLU 65 Ca -0.00 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2kbz h GLU 65 Cb 0.99 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2kbz h GLU 65 CO 0.07 1.10 -0.15 0.35 -0.73 0.00 0.00 179.01 179.66 2kbz h PHE 66 N 0.44 -0.38 -0.30 0.92 3.04 -1.49 -2.84 116.94 116.33 2kbz h PHE 66 Ca 0.00 -0.01 -0.17 0.00 3.98 0.00 0.00 57.97 61.77 2kbz h PHE 66 Cb 1.09 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.72 2kbz h PHE 66 CO 0.08 -0.22 -0.49 0.00 -2.02 0.00 0.00 178.31 175.67 2kbz h ALA 67 N 0.26 0.56 -0.01 2.41 0.00 -1.00 -3.29 119.26 118.18 2kbz h ALA 67 Ca -0.04 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.23 2kbz h ALA 67 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2kbz h ALA 67 CO 0.07 0.68 -0.71 -0.22 0.00 0.00 0.00 179.25 179.07 2kbz h LYS 68 N 0.66 0.04 -0.18 0.00 3.11 -0.51 -3.28 116.57 116.40 2kbz h LYS 68 Ca 0.03 -0.03 0.05 0.00 -2.81 0.00 0.00 60.65 57.89 2kbz h LYS 68 Cb 1.08 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.31 2kbz h LYS 68 CO 0.11 0.73 0.34 0.22 -2.81 0.00 0.00 179.45 178.04 2kbz h ASP 69 N 0.03 0.00 0.21 4.20 3.58 -1.56 0.57 116.42 123.43 2kbz h ASP 69 Ca -0.01 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2kbz h ASP 69 Cb 1.26 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.30 2kbz h ASP 69 CO 0.10 0.00 -0.10 -0.08 -2.88 0.00 0.00 179.24 176.27 2kbz h GLU 70 N 0.00 0.00 -0.67 0.28 4.22 -1.72 -3.30 114.58 113.38 2kbz h GLU 70 Ca 0.09 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.47 2kbz h GLU 70 Cb 0.77 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2kbz h GLU 70 CO -0.00 0.10 0.07 0.00 -2.18 0.00 0.00 179.01 177.00 2kbz n HIS 72 N 0.38 0.00 -4.12 0.00 -0.00 -1.24 -4.86 115.22 105.37 2kbz n HIS 72 Ca 0.28 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.36 2kbz n HIS 72 Cb 1.15 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.92 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 -1.67 0.92 0.00 0.26 6.03 -1.26 -5.07 114.94 114.15 2kbz s ASN 73 Ca 0.00 -0.87 0.26 0.00 -1.03 0.00 0.00 52.86 51.22 2kbz s ASN 73 Cb 0.00 0.10 0.77 0.00 -3.03 0.00 0.00 41.25 39.09 2kbz s ASN 73 CO 0.00 -0.42 1.58 -0.81 -2.03 0.00 0.00 177.10 175.42 2kbz n PRO 74 N 0.41 0.46 -4.42 3.55 -0.04 -1.26 -4.30 135.00 129.40 2kbz n PRO 74 Ca -0.15 -0.24 -0.38 0.00 -0.04 0.00 0.00 63.50 62.68 2kbz n PRO 74 Cb 0.59 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.06 -1.17 -3.58 0.54 1.16 -1.26 -4.91 117.46 107.18 2kbz n PHE 75 Ca 0.10 0.65 -0.10 0.00 -1.87 0.00 0.00 57.45 56.22 2kbz n PHE 75 Cb 0.33 -2.15 -0.02 0.00 -1.61 0.00 0.00 39.48 36.02 2kbz n PHE 75 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 2kbz s ILE 76 N -3.62 0.01 0.00 1.97 2.07 -1.26 0.43 121.20 120.80 2kbz s ILE 76 Ca 0.53 -0.38 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 2kbz s ILE 76 Cb -0.31 -1.32 0.00 0.00 0.13 0.00 0.00 42.46 40.96 2kbz s ILE 76 CO 1.00 -0.04 0.00 -0.67 -1.91 0.00 0.00 174.94 173.32 2kbz n ASP 77 N -0.38 0.52 0.19 4.50 2.03 0.17 -4.94 116.55 118.64 2kbz n ASP 77 Ca -0.13 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.01 2kbz n ASP 77 Cb 0.63 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.94 2kbz n ASP 77 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2kbz h LYS 78 N 0.00 -0.81 -0.08 -0.67 2.10 -2.03 -3.24 116.57 111.84 2kbz h LYS 78 Ca 0.00 0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2kbz h LYS 78 Cb 0.00 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2kbz h LYS 78 CO 0.00 -0.54 0.00 -0.25 -2.00 0.00 0.00 179.45 176.66 2kbz n ASP 79 N -5.37 1.98 -4.58 7.07 8.00 -1.26 -5.00 116.55 117.39 2kbz n ASP 79 Ca -0.10 -1.71 -0.33 0.00 0.71 0.00 0.00 54.79 53.36 2kbz n ASP 79 Cb 0.42 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.42 2kbz n ASP 79 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2kbz s GLY 80 N -0.77 0.62 0.16 0.44 0.00 -1.22 -4.93 107.32 101.62 2kbz s GLY 80 Ca 0.07 -2.33 -0.33 0.00 0.00 0.00 0.00 44.72 42.13 2kbz s GLY 80 CO 0.05 3.29 1.15 1.16 0.00 0.00 0.00 173.10 178.75 2kbz n ASN 81 N 12.47 1.20 -3.31 1.64 2.04 -1.26 0.43 115.26 128.47 2kbz n ASN 81 Ca 0.45 1.14 -0.30 0.00 -0.44 0.00 0.00 54.58 55.43 2kbz n ASN 81 Cb 0.47 -1.19 0.01 0.00 -2.53 0.00 0.00 39.78 36.54 2kbz n ASN 81 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 2kbz n GLU 82 N 1.78 0.00 -4.71 -3.83 0.00 -1.26 -4.83 120.64 107.79 2kbz n GLU 82 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 57.00 2kbz n GLU 82 Cb 0.23 -0.78 -0.17 0.00 0.00 0.00 0.00 31.44 30.73 2kbz n GLU 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2kbz s SER 83 N -0.78 3.00 -0.14 4.31 0.15 0.17 -4.94 113.70 115.47 2kbz s SER 83 Ca 0.44 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2kbz s SER 83 Cb -0.39 -1.38 0.03 0.00 -1.71 0.00 0.00 66.02 62.56 2kbz s SER 83 CO 0.51 0.08 -0.11 -0.63 1.20 0.00 0.00 173.24 174.29 2kbz s ILE 84 N 0.78 1.37 0.83 6.45 1.01 -1.26 -4.88 121.20 125.49 2kbz s ILE 84 Ca -0.09 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 2kbz s ILE 84 Cb -0.16 -1.35 0.09 0.00 0.01 0.00 0.00 42.46 41.06 2kbz s ILE 84 CO -0.00 0.38 1.20 -2.16 0.00 0.00 0.00 174.94 174.35 2kbz s PRO 85 N 1.56 1.80 0.31 2.79 0.04 -1.26 -4.89 135.00 135.36 2kbz s PRO 85 Ca 0.04 0.04 0.09 0.00 0.04 0.00 0.00 61.00 61.21 2kbz s PRO 85 Cb -0.13 -1.94 0.85 0.00 0.04 0.00 0.00 34.50 33.32 2kbz s PRO 85 CO -0.09 -1.69 1.74 0.77 0.04 0.00 0.00 177.00 177.76 2kbz h SER 86 N -1.13 0.69 -0.08 6.66 0.02 -1.98 -1.94 113.55 115.79 2kbz h SER 86 Ca -0.46 0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.52 2kbz h SER 86 Cb 1.32 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.88 2kbz h SER 86 CO 0.63 0.14 -0.34 1.23 -1.14 0.00 0.00 176.83 177.35 2kbz h GLY 87 N 0.62 0.41 2.00 -3.77 0.00 -1.95 -2.71 103.07 97.67 2kbz h GLY 87 Ca 0.63 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2kbz h GLY 87 CO -0.46 0.50 -0.11 -0.24 0.00 0.00 0.00 176.54 176.23 2kbz h VAL 88 N -0.10 0.39 -0.26 4.60 3.04 -1.82 -2.70 116.25 119.40 2kbz h VAL 88 Ca -0.02 -0.62 -0.13 0.00 -1.01 0.00 0.00 66.70 64.92 2kbz h VAL 88 Cb 0.98 1.44 -0.00 0.00 -2.01 0.00 0.00 31.29 31.70 2kbz h VAL 88 CO 0.07 0.11 -0.35 0.25 -1.01 0.00 0.00 177.57 176.64 2kbz h LEU 89 N 0.00 0.77 -1.49 3.16 5.85 -1.36 -0.30 115.31 121.94 2kbz h LEU 89 Ca -0.00 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 2kbz h LEU 89 Cb 0.43 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2kbz h LEU 89 CO 0.01 1.12 -0.02 0.16 -0.34 0.00 0.00 178.44 179.37 2kbz h ILE 90 N 0.44 1.15 0.36 4.05 3.07 -1.20 -2.87 117.51 122.50 2kbz h ILE 90 Ca 0.03 -0.58 -0.02 0.00 1.55 0.00 0.00 64.86 65.85 2kbz h ILE 90 Cb 0.94 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.51 2kbz h ILE 90 CO 0.08 0.19 -0.17 0.15 -1.05 0.00 0.00 178.15 177.35 2kbz h PHE 91 N 0.30 -0.45 -0.10 0.16 3.57 -1.37 -1.41 116.94 117.63 2kbz h PHE 91 Ca 0.07 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.60 2kbz h PHE 91 Cb 0.24 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 2kbz h PHE 91 CO 0.00 -0.12 -0.39 -0.39 -2.23 0.00 0.00 178.31 175.19 2kbz h VAL 92 N -0.86 0.19 0.12 1.41 -1.51 -0.94 -0.40 116.25 114.26 2kbz h VAL 92 Ca -0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.41 2kbz h VAL 92 Cb 0.53 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.88 2kbz h VAL 92 CO 0.08 0.00 -0.06 0.00 -1.23 0.00 0.00 177.57 176.36 2kbz h ALA 93 N 0.17 -0.16 0.00 5.19 0.00 -1.65 -2.85 119.26 119.97 2kbz h ALA 93 Ca 0.08 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2kbz h ALA 93 Cb 0.61 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2kbz h ALA 93 CO -0.37 -0.51 -0.66 0.87 0.00 0.00 0.00 179.25 178.59 2kbz h LYS 94 N -0.33 0.00 0.68 0.00 1.79 -1.23 -0.65 116.57 116.84 2kbz h LYS 94 Ca -0.02 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2kbz h LYS 94 Cb 0.27 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2kbz h LYS 94 CO 0.03 0.66 -0.40 0.00 -1.08 0.00 0.00 179.45 178.66 2kbz h ALA 95 N 1.34 -1.03 -0.25 3.86 0.00 -1.18 -2.41 119.26 119.59 2kbz h ALA 95 Ca -0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2kbz h ALA 95 Cb 1.28 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2kbz h ALA 95 CO 0.09 -1.09 -0.32 0.00 0.00 0.00 0.00 179.25 177.92 2kbz h ALA 96 N -0.76 0.97 0.00 0.00 0.00 -1.52 -1.46 119.26 116.49 2kbz h ALA 96 Ca -0.09 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2kbz h ALA 96 Cb 0.81 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kbz h ALA 96 CO 0.10 0.61 -0.17 -0.56 0.00 0.00 0.00 179.25 179.23 2kbz h GLN 97 N 0.46 0.00 0.20 0.00 3.07 -1.17 -1.30 115.11 116.36 2kbz h GLN 97 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.78 2kbz h GLN 97 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.35 2kbz h GLN 97 CO 0.06 0.17 -0.10 0.35 0.09 0.00 0.00 178.83 179.41 2kbz h PHE 98 N 0.00 -0.25 -0.06 0.06 3.04 -0.92 -3.41 116.94 115.40 2kbz h PHE 98 Ca -0.00 -0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.79 2kbz h PHE 98 Cb 0.62 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.20 2kbz h PHE 98 CO 0.00 0.05 -0.65 0.10 -2.02 0.00 0.00 178.31 175.79 2kbz h TYR 99 N -1.00 0.30 0.00 0.41 -0.00 -1.32 -3.37 116.97 111.99 2kbz h TYR 99 Ca -0.03 -0.12 -0.06 0.00 -0.00 0.00 0.00 58.73 58.52 2kbz h TYR 99 Cb 0.40 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.73 37.08 2kbz h TYR 99 CO 0.05 0.81 -0.30 0.00 -0.00 0.00 0.00 178.16 178.72 2kbz h MET 100 N 0.16 0.00 -0.00 0.10 -0.00 -1.46 0.20 114.93 113.93 2kbz h MET 100 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2kbz h MET 100 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.77 2kbz h MET 100 CO 0.10 0.30 -0.13 -2.37 -0.00 0.00 0.00 176.91 174.82 2kbz n THR 101 N -3.95 0.00 -0.09 -0.10 5.66 -1.26 -1.28 114.28 113.26 2kbz n THR 101 Ca -0.02 -0.02 -0.16 0.00 -3.05 0.00 0.00 64.05 60.80 2kbz n THR 101 Cb 0.37 -0.21 -0.05 0.00 -1.55 0.00 0.00 70.33 68.89 2kbz n THR 101 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2kbz n ASN 102 N -1.25 1.61 -0.46 1.09 5.15 -0.99 -4.58 115.26 115.84 2kbz n ASN 102 Ca 0.11 0.27 0.06 0.00 -0.60 0.00 0.00 54.58 54.42 2kbz n ASN 102 Cb 0.30 -0.64 0.20 0.00 -0.53 0.00 0.00 39.78 39.11 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 -4.08 2.48 0.15 5.20 0.00 0.67 -0.42 120.51 124.51 2kbz n ALA 103 Ca -0.28 -0.44 0.08 0.00 0.00 0.00 0.00 53.44 52.79 2kbz n ALA 103 Cb 0.62 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 19.11 2kbz n ALA 103 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kbz h GLY 104 N 5.35 0.00 0.00 0.00 0.00 -1.38 0.38 103.07 107.42 2kbz h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kbz h GLY 104 CO 0.00 0.00 -0.67 1.47 0.00 0.00 0.00 176.54 177.34 2kbz n LEU 105 N -3.03 0.33 -1.78 3.11 -0.00 -0.65 -4.31 117.00 110.66 2kbz n LEU 105 Ca 0.01 0.05 -0.19 0.00 -0.00 0.00 0.00 56.01 55.88 2kbz n LEU 105 Cb 0.63 -0.10 0.06 0.00 -0.00 0.00 0.00 43.42 44.01 2kbz n LEU 105 CO 0.38 -0.25 0.33 1.07 -0.00 0.00 0.00 177.39 178.93 2kbz n THR 106 N -3.14 2.57 0.68 1.47 5.66 0.44 -4.76 114.28 117.19 2kbz n THR 106 Ca 0.00 -3.89 -0.01 0.00 -3.05 0.00 0.00 64.05 57.10 2kbz n THR 106 Cb 0.33 -0.96 0.05 0.00 -1.55 0.00 0.00 70.33 68.21 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 -0.81 1.96 5.00 1.09 0.00 -1.20 -4.75 105.19 106.48 2kbz n GLY 107 Ca 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 0.15 0.00 -0.09 1.61 1.74 -1.26 -3.11 116.66 115.69 2kbz n ARG 108 Ca 0.06 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.96 2kbz n ARG 108 Cb 0.50 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.84 2kbz n ARG 108 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2kbz h SER 109 N 0.00 0.00 -2.61 0.55 0.87 -1.92 -3.51 113.55 106.93 2kbz h SER 109 Ca 0.00 -0.48 0.07 0.00 -1.23 0.00 0.00 61.79 60.16 2kbz h SER 109 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2kbz h SER 109 CO 0.00 1.31 0.43 0.80 -0.53 0.00 0.00 176.83 178.84 2kbz n MET 110 N -4.49 0.81 -3.22 2.24 1.56 -1.18 -4.97 117.12 107.87 2kbz n MET 110 Ca -0.25 -1.69 -0.46 0.00 -0.27 0.00 0.00 57.70 55.02 2kbz n MET 110 Cb 0.58 2.20 -0.02 0.00 2.15 0.00 0.00 33.22 38.13 2kbz n MET 110 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 2kbz s ASP 111 N -3.14 6.77 -1.23 6.12 1.47 -1.25 -3.90 116.67 121.51 2kbz s ASP 111 Ca 0.19 -2.59 -0.01 0.00 1.18 0.00 0.00 52.55 51.31 2kbz s ASP 111 Cb -0.04 -2.26 0.00 0.00 -0.34 0.00 0.00 42.92 40.29 2kbz s ASP 111 CO 0.08 -0.68 0.19 1.07 0.68 0.00 0.00 175.17 176.51 2kbz n THR 112 N 4.28 -1.04 0.00 2.11 5.66 0.13 -4.82 114.28 120.61 2kbz n THR 112 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 2kbz n THR 112 Cb 0.47 -2.53 0.00 0.00 -1.55 0.00 0.00 70.33 66.72 2kbz n THR 112 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2kbz n VAL 113 N -4.08 0.00 -0.42 1.08 0.31 -1.26 -4.83 118.33 109.13 2kbz n VAL 113 Ca -0.14 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.07 2kbz n VAL 113 Cb 0.62 -0.45 0.05 0.00 -0.91 0.00 0.00 33.84 33.15 2kbz n VAL 113 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2kbz n SER 114 N -1.70 4.94 -3.40 4.52 3.41 -1.26 -4.79 113.62 115.35 2kbz n SER 114 Ca 0.00 -2.84 -0.40 0.00 -0.26 0.00 0.00 58.87 55.38 2kbz n SER 114 Cb 0.00 -0.87 -0.02 0.00 -0.26 0.00 0.00 64.21 63.06 2kbz n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kbz n TYR 115 N 0.19 2.62 -1.95 7.33 4.11 -1.26 -4.64 117.16 123.56 2kbz n TYR 115 Ca 0.25 -3.05 -0.38 0.00 -0.00 0.00 0.00 57.90 54.72 2kbz n TYR 115 Cb 0.76 -2.44 -0.03 0.00 -0.00 0.00 0.00 39.34 37.63 2kbz n TYR 115 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 2kbz s ASN 116 N 2.16 5.12 0.48 9.48 0.02 -1.26 -4.91 114.94 126.02 2kbz s ASN 116 Ca 0.65 0.50 0.38 0.00 -1.02 0.00 0.00 52.86 53.37 2kbz s ASN 116 Cb 0.17 -2.52 1.57 0.00 0.02 0.00 0.00 41.25 40.49 2kbz s ASN 116 CO -0.07 -2.46 1.55 0.49 0.02 0.00 0.00 177.10 176.64 2kbz n PHE 117 N 13.31 0.46 1.08 2.20 3.01 -1.26 -0.32 117.46 135.93 2kbz n PHE 117 Ca 0.23 0.47 0.13 0.00 1.01 0.00 0.00 57.45 59.29 2kbz n PHE 117 Cb 0.52 -0.92 0.42 0.00 -0.01 0.00 0.00 39.48 39.49 2kbz n PHE 117 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kbz n ALA 118 N -2.66 3.05 -0.05 4.37 0.00 -1.26 -4.06 120.51 119.89 2kbz n ALA 118 Ca 0.42 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 2kbz n ALA 118 Cb 1.72 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 2kbz n ALA 118 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kbz n THR 119 N -1.35 0.62 -3.52 0.00 -2.24 0.56 -4.99 114.28 103.36 2kbz n THR 119 Ca 0.08 -0.23 -0.28 0.00 -2.27 0.00 0.00 64.05 61.35 2kbz n THR 119 Cb 0.33 -0.96 -0.11 0.00 -2.10 0.00 0.00 70.33 67.48 2kbz n THR 119 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kbz s GLU 120 N -2.22 1.00 0.24 -0.78 -1.05 0.02 -5.08 118.70 110.84 2kbz s GLU 120 Ca -0.15 -1.96 -0.06 0.00 -0.15 0.00 0.00 54.97 52.65 2kbz s GLU 120 Cb 0.04 -1.73 -0.02 0.00 -0.44 0.00 0.00 34.13 31.98 2kbz s GLU 120 CO 0.25 -1.28 0.31 0.96 0.95 0.00 0.00 175.26 176.44 2kbz s ILE 121 N 0.29 0.00 0.21 1.83 -4.36 -1.26 -4.60 121.20 113.30 2kbz s ILE 121 Ca 0.25 -1.73 -0.32 0.00 -0.26 0.00 0.00 60.65 58.59 2kbz s ILE 121 Cb -0.10 -2.39 -0.13 0.00 1.25 0.00 0.00 42.46 41.09 2kbz s ILE 121 CO -0.10 0.00 1.63 -0.81 0.24 0.00 0.00 174.94 175.91 2kbz n PRO 122 N -0.35 2.50 -0.16 0.37 -0.04 -1.26 -4.95 135.00 131.10 2kbz n PRO 122 Ca 0.01 0.90 0.04 0.00 -0.04 0.00 0.00 63.50 64.41 2kbz n PRO 122 Cb 0.64 -2.70 0.33 0.00 -0.04 0.00 0.00 33.50 31.73 2kbz n PRO 122 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kbz h SER 123 N 5.99 0.69 0.69 3.54 0.02 -2.01 -2.99 113.55 119.49 2kbz h SER 123 Ca -0.44 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 2kbz h SER 123 Cb 1.23 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.61 2kbz h SER 123 CO 0.89 0.48 -0.33 0.74 -1.14 0.00 0.00 176.83 177.47 2kbz h THR 124 N 0.80 0.30 0.00 -2.27 2.02 -2.03 -3.30 112.91 108.44 2kbz h THR 124 Ca 0.27 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.29 2kbz h THR 124 Cb 0.08 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2kbz h THR 124 CO -0.08 0.01 -0.45 0.40 0.37 0.00 0.00 175.52 175.77 2kbz h ILE 125 N -0.97 1.19 -0.15 3.11 1.08 -1.97 -3.22 117.51 116.57 2kbz h ILE 125 Ca -0.09 -1.62 0.04 0.00 -0.39 0.00 0.00 64.86 62.80 2kbz h ILE 125 Cb 0.72 1.91 -0.01 0.00 -3.07 0.00 0.00 36.82 36.37 2kbz h ILE 125 CO 0.16 0.44 0.14 0.25 -0.69 0.00 0.00 178.15 178.45 2kbz h LEU 126 N 0.00 0.00 -0.51 1.44 7.12 -1.60 0.12 115.31 121.89 2kbz h LEU 126 Ca -0.00 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.88 2kbz h LEU 126 Cb 0.87 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.98 2kbz h LEU 126 CO 0.06 0.00 -0.61 0.50 -0.13 0.00 0.00 178.44 178.26 2kbz h LYS 127 N 0.00 0.00 0.00 1.25 3.64 -1.66 -3.04 116.57 116.76 2kbz h LYS 127 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2kbz h LYS 127 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2kbz h LYS 127 CO -0.00 0.61 0.00 1.63 -2.27 0.00 0.00 179.45 179.42 2kbz n LYS 128 N -3.51 0.22 -0.28 1.90 5.02 0.33 -3.38 118.16 118.45 2kbz n LYS 128 Ca -0.00 0.20 0.06 0.00 -2.02 0.00 0.00 58.31 56.55 2kbz n LYS 128 Cb 0.68 -1.77 0.27 0.00 -0.02 0.00 0.00 35.03 34.19 2kbz n LYS 128 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2kbz h LEU 129 N 0.00 0.84 0.00 -0.35 7.12 -1.16 -3.36 115.31 118.40 2kbz h LEU 129 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2kbz h LEU 129 Cb 0.68 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2kbz h LEU 129 CO 0.00 0.52 -0.80 0.78 -0.13 0.00 0.00 178.44 178.81 2kbz h ASN 130 N 0.94 0.00 0.63 1.25 2.35 -1.73 -3.39 115.58 115.63 2kbz h ASN 130 Ca 0.39 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2kbz h ASN 130 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2kbz h ASN 130 CO -0.15 0.05 0.00 -2.65 -1.65 0.00 0.00 177.43 173.02 2kbz n PRO 131 N -2.46 0.08 0.00 0.81 -0.02 -1.26 -4.23 135.00 127.92 2kbz n PRO 131 Ca 0.02 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2kbz n PRO 131 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.44 0.00 0.00 6.00 0.18 -1.26 -4.76 117.16 115.87 2kbz n TYR 132 Ca 0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.84 2kbz n TYR 132 Cb 0.22 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.18 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 0.00 -2.42 -3.48 0.00 -1.26 -4.82 116.66 104.68 2kbz n ARG 133 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 2kbz n ARG 133 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 -0.36 3.19 -0.02 -0.14 0.00 -1.26 -4.71 118.16 114.86 2kbz n LYS 134 Ca 0.00 -3.24 -0.16 0.00 0.00 0.00 0.00 58.31 54.91 2kbz n LYS 134 Cb 0.00 -3.31 -0.11 0.00 0.00 0.00 0.00 35.03 31.60 2kbz n LYS 134 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 2kbz h MET 135 N 6.95 0.22 0.00 1.64 1.85 -1.86 -3.44 114.93 120.29 2kbz h MET 135 Ca 0.45 -0.24 0.11 0.00 -0.61 0.00 0.00 59.70 59.41 2kbz h MET 135 Cb 0.79 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.87 2kbz h MET 135 CO 1.54 0.96 0.33 0.00 -0.40 0.00 0.00 176.91 179.33 2kbz n ALA 136 N -2.55 -1.36 -0.98 0.39 0.00 -1.26 -5.01 120.51 109.74 2kbz n ALA 136 Ca -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2kbz n ALA 136 Cb 0.54 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.13 2kbz n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04