#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbz n ARG 40 N 0.00 0.15 -0.06 -1.09 1.85 -1.26 -4.45 116.66 111.81 2kbz n ARG 40 Ca 0.00 0.03 -0.14 0.00 -1.00 0.00 0.00 57.85 56.75 2kbz n ARG 40 Cb 0.00 -1.58 -0.07 0.00 -1.05 0.00 0.00 32.46 29.76 2kbz n ARG 40 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2kbz h VAL 41 N 0.00 1.35 0.00 8.89 2.07 -2.07 -3.18 116.25 123.30 2kbz h VAL 41 Ca 0.00 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 2kbz h VAL 41 Cb 0.62 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2kbz h VAL 41 CO 0.00 0.43 -0.26 0.07 0.02 0.00 0.00 177.57 177.83 2kbz h LYS 42 N 0.07 0.00 0.00 1.57 2.10 -2.01 -3.27 116.57 115.03 2kbz h LYS 42 Ca 0.02 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2kbz h LYS 42 Cb 0.78 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.11 2kbz h LYS 42 CO 0.05 0.26 -0.01 -0.09 -2.00 0.00 0.00 179.45 177.66 2kbz h ARG 43 N 0.00 0.00 0.00 0.07 2.43 -1.76 0.72 114.38 115.83 2kbz h ARG 43 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2kbz h ARG 43 Cb 0.61 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2kbz h ARG 43 CO 0.03 0.01 -0.38 1.25 -1.51 0.00 0.00 179.97 179.38 2kbz h LEU 44 N 0.00 0.00 0.00 3.80 6.46 -1.70 -3.31 115.31 120.56 2kbz h LEU 44 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2kbz h LEU 44 Cb 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 2kbz h LEU 44 CO 0.00 0.38 -0.75 0.00 -0.62 0.00 0.00 178.44 177.45 2kbz n LEU 45 N -3.39 0.00 0.05 2.25 -0.00 -0.97 -4.02 117.00 110.92 2kbz n LEU 45 Ca 0.01 -0.03 0.13 0.00 -0.00 0.00 0.00 56.01 56.12 2kbz n LEU 45 Cb 0.57 0.00 0.46 0.00 -0.00 0.00 0.00 43.42 44.44 2kbz n LEU 45 CO 0.37 0.00 0.84 -1.54 -0.00 0.00 0.00 177.39 177.06 2kbz n SER 46 N -1.19 0.47 0.03 1.45 3.41 0.25 -2.40 113.62 115.64 2kbz n SER 46 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2kbz n SER 46 Cb 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2kbz n SER 46 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2kbz n ILE 47 N -1.90 0.37 -2.95 -1.33 5.41 -1.25 -4.70 119.36 113.01 2kbz n ILE 47 Ca 0.06 0.12 -0.44 0.00 1.00 0.00 0.00 62.75 63.49 2kbz n ILE 47 Cb 0.39 -1.01 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 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 -2.88 4.48 0.00 1.39 -1.04 -1.25 -0.81 114.28 114.17 2kbz n THR 48 Ca 0.00 -4.98 0.00 0.00 -2.04 0.00 0.00 64.05 57.03 2kbz n THR 48 Cb 0.00 -2.44 0.00 0.00 -1.82 0.00 0.00 70.33 66.07 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 4.06 0.00 -4.30 8.00 3.02 -1.26 -4.33 115.26 120.44 2kbz n ASN 49 Ca 0.33 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.59 2kbz n ASN 49 Cb 0.39 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.83 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 0.55 0.57 6.41 2.15 -1.01 -4.85 116.67 120.49 2kbz s ASP 50 Ca 0.00 1.34 0.28 0.00 0.43 0.00 0.00 52.55 54.61 2kbz s ASP 50 Cb 0.00 -2.07 1.49 0.00 -0.30 0.00 0.00 42.92 42.04 2kbz s ASP 50 CO 0.00 -4.44 1.96 0.07 -0.17 0.00 0.00 175.17 172.58 2kbz h LYS 51 N -2.79 0.00 0.00 4.34 2.10 -1.88 -1.74 116.57 116.60 2kbz h LYS 51 Ca -0.59 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.06 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 0.47 0.00 0.00 1.58 -2.00 0.00 0.00 179.45 179.50 2kbz n HIS 52 N -3.94 0.00 -0.03 0.07 -0.00 -1.26 -2.55 115.22 107.52 2kbz n HIS 52 Ca 0.08 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.23 2kbz n HIS 52 Cb 0.62 -0.39 0.20 0.00 -0.12 0.00 0.00 29.99 30.30 2kbz n HIS 52 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 2kbz h ASP 53 N 0.00 0.58 -0.20 0.26 3.58 -0.02 0.37 116.42 120.99 2kbz h ASP 53 Ca 0.00 -0.16 -0.20 0.00 0.42 0.00 0.00 57.03 57.09 2kbz h ASP 53 Cb 0.10 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2kbz h ASP 53 CO 0.00 0.74 -0.62 -0.08 -2.88 0.00 0.00 179.24 176.40 2kbz h GLU 54 N 0.54 0.81 -0.04 0.28 4.57 -1.75 -1.43 114.58 117.57 2kbz h GLU 54 Ca 0.10 -0.56 -0.13 0.00 -1.18 0.00 0.00 59.36 57.59 2kbz h GLU 54 Cb 0.54 0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2kbz h GLU 54 CO 0.03 1.19 -0.47 -0.92 -1.18 0.00 0.00 179.01 177.66 2kbz h TYR 55 N 0.60 0.56 0.09 0.92 3.20 -1.68 0.88 116.97 121.53 2kbz h TYR 55 Ca -0.01 -0.27 -0.00 0.00 3.14 0.00 0.00 58.73 61.59 2kbz h TYR 55 Cb 1.23 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2kbz h TYR 55 CO 0.07 1.06 -0.04 1.25 -1.64 0.00 0.00 178.16 178.86 2kbz h LEU 56 N -0.10 -0.10 -0.21 2.82 6.46 -0.36 -2.86 115.31 120.96 2kbz h LEU 56 Ca -0.05 -0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2kbz h LEU 56 Cb 1.15 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 41.09 2kbz h LEU 56 CO 0.09 -0.00 0.08 0.71 -0.62 0.00 0.00 178.44 178.70 2kbz h THR 57 N -0.19 0.96 0.00 1.05 1.35 -1.35 -3.29 112.91 111.43 2kbz h THR 57 Ca -0.01 -0.06 -0.00 0.00 -0.55 0.00 0.00 66.41 65.78 2kbz h THR 57 Cb 0.16 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 2kbz h THR 57 CO 0.02 0.03 -0.02 1.05 -0.25 0.00 0.00 175.52 176.35 2kbz h GLU 58 N 0.19 0.00 -0.90 4.72 -0.00 -0.77 -2.47 114.58 115.35 2kbz h GLU 58 Ca 0.09 0.00 0.13 0.00 -0.00 0.00 0.00 59.36 59.58 2kbz h GLU 58 Cb 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 28.73 2kbz h GLU 58 CO -0.09 0.02 0.58 0.52 -0.00 0.00 0.00 179.01 180.04 2kbz h MET 59 N 0.00 0.76 0.25 1.06 2.86 -1.57 -2.97 114.93 115.31 2kbz h MET 59 Ca -0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2kbz h MET 59 Cb 0.04 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.53 2kbz h MET 59 CO 0.00 0.50 -0.12 0.28 1.06 0.00 0.00 176.91 178.63 2kbz h VAL 60 N 0.78 0.64 0.00 -2.22 2.07 -1.54 -2.95 116.25 113.03 2kbz h VAL 60 Ca 0.44 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2kbz h VAL 60 Cb 0.60 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2kbz h VAL 60 CO -0.20 0.15 0.44 -0.65 0.02 0.00 0.00 177.57 177.33 2kbz h PRO 61 N -0.90 0.00 0.68 1.57 0.11 -1.60 0.38 132.00 132.24 2kbz h PRO 61 Ca -0.03 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2kbz h PRO 61 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2kbz h PRO 61 CO 0.06 0.00 -0.38 -0.07 -0.21 0.00 0.00 178.00 177.40 2kbz h LEU 62 N 0.00 -0.92 -0.01 2.35 4.07 -1.46 -2.49 115.31 116.85 2kbz h LEU 62 Ca 0.00 0.04 -0.11 0.00 0.08 0.00 0.00 57.88 57.90 2kbz h LEU 62 Cb 0.89 0.26 0.01 0.00 1.08 0.00 0.00 40.66 42.89 2kbz h LEU 62 CO 0.00 -0.61 -0.41 0.17 -1.08 0.00 0.00 178.44 176.51 2kbz h LEU 63 N -0.98 0.38 -1.45 1.67 -0.00 -0.58 -2.90 115.31 111.46 2kbz h LEU 63 Ca -0.09 -0.75 -0.06 0.00 -0.00 0.00 0.00 57.88 56.98 2kbz h LEU 63 Cb 0.78 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 2kbz h LEU 63 CO 0.12 1.08 -0.28 -0.37 -0.00 0.00 0.00 178.44 178.99 2kbz h VAL 64 N -0.28 1.16 0.10 0.15 -1.51 -0.58 0.48 116.25 115.77 2kbz h VAL 64 Ca -0.05 -0.97 -0.29 0.00 -1.23 0.00 0.00 66.70 64.16 2kbz h VAL 64 Cb 1.14 1.53 0.03 0.00 -2.13 0.00 0.00 31.29 31.85 2kbz h VAL 64 CO 0.08 0.27 -1.21 -0.33 -1.23 0.00 0.00 177.57 175.15 2kbz h GLU 65 N 0.00 0.64 0.42 5.19 5.08 -1.60 0.25 114.58 124.56 2kbz h GLU 65 Ca -0.00 -0.83 -0.01 0.00 -1.00 0.00 0.00 59.36 57.52 2kbz h GLU 65 Cb 0.51 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2kbz h GLU 65 CO 0.04 1.37 -0.26 0.35 -1.00 0.00 0.00 179.01 179.51 2kbz h PHE 66 N 0.29 -0.69 -0.22 4.33 3.04 -1.34 -2.87 116.94 119.49 2kbz h PHE 66 Ca -0.18 -0.01 -0.16 0.00 3.98 0.00 0.00 57.97 61.60 2kbz h PHE 66 Cb 1.88 0.25 0.00 0.00 2.56 0.00 0.00 35.95 40.64 2kbz h PHE 66 CO 0.11 -0.40 -0.49 0.00 -2.02 0.00 0.00 178.31 175.51 2kbz h ALA 67 N -0.12 0.35 0.00 2.41 0.00 -1.04 -3.33 119.26 117.54 2kbz h ALA 67 Ca -0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 2kbz h ALA 67 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2kbz h ALA 67 CO 0.04 0.52 -0.21 -0.22 0.00 0.00 0.00 179.25 179.38 2kbz h LYS 68 N 0.43 0.00 0.00 0.00 3.11 -1.06 -3.32 116.57 115.72 2kbz h LYS 68 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 2kbz h LYS 68 Cb 1.10 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.32 2kbz h LYS 68 CO 0.11 0.21 -0.11 0.22 -2.81 0.00 0.00 179.45 177.07 2kbz h ASP 69 N 0.00 0.00 1.55 4.20 1.82 -1.61 -2.51 116.42 119.86 2kbz h ASP 69 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kbz h ASP 69 Cb 0.95 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.96 2kbz h ASP 69 CO 0.03 0.11 -0.01 -0.08 -1.61 0.00 0.00 179.24 177.68 2kbz h GLU 70 N 0.00 0.00 0.00 0.28 4.57 -1.75 -3.34 114.58 114.35 2kbz h GLU 70 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2kbz h GLU 70 Cb 0.35 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2kbz h GLU 70 CO 0.01 0.01 -0.21 0.00 -1.18 0.00 0.00 179.01 177.64 2kbz n HIS 72 N -4.00 0.00 -4.35 0.00 -0.00 -1.26 -5.04 115.22 100.58 2kbz n HIS 72 Ca -0.02 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.91 2kbz n HIS 72 Cb 0.29 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.03 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 0.00 2.94 0.00 0.26 6.03 -1.26 -5.05 114.94 117.86 2kbz s ASN 73 Ca 0.00 -0.77 0.17 0.00 -1.03 0.00 0.00 52.86 51.24 2kbz s ASN 73 Cb 0.00 -0.19 0.95 0.00 -3.03 0.00 0.00 41.25 38.98 2kbz s ASN 73 CO 0.00 0.09 1.62 -0.81 -2.03 0.00 0.00 177.10 175.97 2kbz n PRO 74 N 0.74 1.14 -0.81 3.55 -0.04 -1.25 -4.43 135.00 133.89 2kbz n PRO 74 Ca -0.17 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.09 2kbz n PRO 74 Cb 0.54 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.56 0.00 -2.87 0.54 1.16 -1.26 -4.57 117.46 109.90 2kbz n PHE 75 Ca 0.13 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.38 2kbz n PHE 75 Cb 0.11 -1.19 -0.07 0.00 -1.61 0.00 0.00 39.48 36.72 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 -1.66 4.45 0.43 1.97 1.01 -1.26 -3.17 121.20 122.97 2kbz s ILE 76 Ca 0.00 1.38 0.07 0.00 0.00 0.00 0.00 60.65 62.10 2kbz s ILE 76 Cb 0.00 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 2kbz s ILE 76 CO 0.00 -0.30 0.16 -0.62 0.00 0.00 0.00 174.94 174.18 2kbz s ASP 77 N -2.21 4.34 0.38 3.58 2.15 -0.06 -4.96 116.67 119.89 2kbz s ASP 77 Ca 0.60 -1.18 0.15 0.00 0.43 0.00 0.00 52.55 52.55 2kbz s ASP 77 Cb -0.09 -0.32 0.80 0.00 -0.30 0.00 0.00 42.92 43.01 2kbz s ASP 77 CO 0.14 -0.60 1.36 0.11 -0.17 0.00 0.00 175.17 176.01 2kbz h LYS 78 N 1.41 0.00 0.00 4.34 1.79 -1.99 0.12 116.57 122.24 2kbz h LYS 78 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2kbz h LYS 78 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2kbz h LYS 78 CO 0.71 0.00 -1.00 -0.25 -1.08 0.00 0.00 179.45 177.83 2kbz n ASP 79 N -2.17 0.93 -0.16 0.86 8.00 -1.26 -4.97 116.55 117.78 2kbz n ASP 79 Ca -0.01 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.59 2kbz n ASP 79 Cb 0.36 0.98 0.00 0.00 -0.02 0.00 0.00 41.12 42.44 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 1.49 0.59 3.87 0.44 0.00 0.43 -5.08 105.19 106.93 2kbz n GLY 80 Ca 0.04 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.97 6.57 0.53 1.61 -0.87 -1.24 -4.84 114.94 113.72 2kbz s ASN 81 Ca 0.00 0.67 -0.17 0.00 -1.57 0.00 0.00 52.86 51.79 2kbz s ASN 81 Cb 0.00 -2.14 -0.07 0.00 -0.02 0.00 0.00 41.25 39.02 2kbz s ASN 81 CO 0.00 0.30 1.01 -1.83 -2.57 0.00 0.00 177.10 174.01 2kbz s GLU 82 N -1.41 3.78 0.08 -0.60 4.04 -1.26 -0.88 118.70 122.45 2kbz s GLU 82 Ca 0.24 1.08 -0.11 0.00 0.04 0.00 0.00 54.97 56.22 2kbz s GLU 82 Cb -0.14 -2.11 0.01 0.00 0.02 0.00 0.00 34.13 31.91 2kbz s GLU 82 CO 0.12 -0.42 0.25 0.45 -1.84 0.00 0.00 175.26 173.82 2kbz s SER 83 N -2.81 0.01 -0.14 0.83 0.15 -1.19 -4.93 113.70 105.61 2kbz s SER 83 Ca 0.61 -0.47 -0.04 0.00 0.70 0.00 0.00 55.95 56.75 2kbz s SER 83 Cb -0.12 0.36 0.06 0.00 -1.71 0.00 0.00 66.02 64.61 2kbz s SER 83 CO 0.30 -0.70 0.12 -0.63 1.20 0.00 0.00 173.24 173.53 2kbz s ILE 84 N -3.42 -0.16 0.93 6.45 1.09 -1.26 -4.92 121.20 119.90 2kbz s ILE 84 Ca 0.01 0.01 -0.15 0.00 -1.10 0.00 0.00 60.65 59.42 2kbz s ILE 84 Cb 0.02 -0.49 0.16 0.00 -1.06 0.00 0.00 42.46 41.10 2kbz s ILE 84 CO -0.09 -0.14 1.26 -2.16 -0.10 0.00 0.00 174.94 173.71 2kbz s PRO 85 N 2.20 0.96 0.34 2.79 0.04 -1.26 -4.86 135.00 135.22 2kbz s PRO 85 Ca 0.04 -0.19 0.05 0.00 0.04 0.00 0.00 61.00 60.94 2kbz s PRO 85 Cb -0.15 -1.86 0.71 0.00 0.04 0.00 0.00 34.50 33.24 2kbz s PRO 85 CO -0.08 -2.23 1.91 0.77 0.04 0.00 0.00 177.00 177.41 2kbz h SER 86 N -1.51 0.73 -0.10 6.66 0.02 -1.98 -0.87 113.55 116.50 2kbz h SER 86 Ca -0.45 0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.32 2kbz h SER 86 Cb 1.27 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.69 2kbz h SER 86 CO 0.48 0.44 -0.70 1.23 -1.14 0.00 0.00 176.83 177.14 2kbz h GLY 87 N 0.81 0.71 2.00 -3.77 0.00 -1.96 -2.85 103.07 98.02 2kbz h GLY 87 Ca 0.39 -1.06 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 2kbz h GLY 87 CO -0.15 0.94 -0.15 -0.24 0.00 0.00 0.00 176.54 176.94 2kbz h VAL 88 N 0.30 0.41 -0.26 4.60 3.04 -1.80 -2.79 116.25 119.74 2kbz h VAL 88 Ca -0.06 -0.85 -0.12 0.00 -1.01 0.00 0.00 66.70 64.66 2kbz h VAL 88 Cb 1.34 1.62 -0.00 0.00 -2.01 0.00 0.00 31.29 32.24 2kbz h VAL 88 CO 0.14 0.15 -0.31 0.25 -1.01 0.00 0.00 177.57 176.79 2kbz h LEU 89 N 0.00 0.73 -1.37 3.16 5.85 -1.20 0.01 115.31 122.49 2kbz h LEU 89 Ca -0.00 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 2kbz h LEU 89 Cb 0.61 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2kbz h LEU 89 CO 0.02 1.07 0.04 0.16 -0.34 0.00 0.00 178.44 179.39 2kbz h ILE 90 N 0.40 1.17 -0.28 4.05 3.07 -1.30 -2.52 117.51 122.10 2kbz h ILE 90 Ca 0.04 -0.62 -0.04 0.00 1.55 0.00 0.00 64.86 65.78 2kbz h ILE 90 Cb 0.88 0.89 -0.01 0.00 -0.27 0.00 0.00 36.82 38.31 2kbz h ILE 90 CO 0.07 0.22 0.01 0.15 -1.05 0.00 0.00 178.15 177.55 2kbz h PHE 91 N 0.45 0.53 0.35 0.16 3.57 -1.40 -1.81 116.94 118.78 2kbz h PHE 91 Ca 0.10 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2kbz h PHE 91 Cb 0.23 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2kbz h PHE 91 CO 0.01 0.63 -0.39 -0.39 -2.23 0.00 0.00 178.31 175.93 2kbz h VAL 92 N 0.28 0.00 -0.31 1.41 -1.51 -0.56 0.35 116.25 115.90 2kbz h VAL 92 Ca 0.08 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.62 2kbz h VAL 92 Cb 0.41 0.00 -0.08 0.00 -2.13 0.00 0.00 31.29 29.49 2kbz h VAL 92 CO 0.01 0.00 -0.21 0.00 -1.23 0.00 0.00 177.57 176.14 2kbz h ALA 93 N -1.07 -0.02 -0.00 5.19 0.00 -1.63 -2.93 119.26 118.81 2kbz h ALA 93 Ca -0.04 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2kbz h ALA 93 Cb 0.66 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2kbz h ALA 93 CO -0.07 -0.61 -0.79 0.87 0.00 0.00 0.00 179.25 178.65 2kbz h LYS 94 N -0.18 0.08 0.61 0.00 1.57 -1.31 -1.54 116.57 115.79 2kbz h LYS 94 Ca 0.16 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2kbz h LYS 94 Cb 0.43 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2kbz h LYS 94 CO -0.42 0.82 -0.32 0.00 -0.57 0.00 0.00 179.45 178.96 2kbz h ALA 95 N 1.15 -0.86 0.00 3.86 0.00 -0.94 -2.65 119.26 119.82 2kbz h ALA 95 Ca -0.02 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2kbz h ALA 95 Cb 1.38 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 2kbz h ALA 95 CO 0.11 -0.99 -0.84 0.00 0.00 0.00 0.00 179.25 177.53 2kbz h ALA 96 N -0.48 0.60 -0.76 0.00 0.00 -1.63 -2.78 119.26 114.21 2kbz h ALA 96 Ca -0.08 -0.76 0.02 0.00 0.00 0.00 0.00 54.91 54.09 2kbz h ALA 96 Cb 0.67 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2kbz h ALA 96 CO 0.12 1.05 0.50 0.37 0.00 0.00 0.00 179.25 181.28 2kbz h GLN 97 N 0.00 0.95 0.20 0.00 4.15 -1.27 -0.31 115.11 118.83 2kbz h GLN 97 Ca -0.01 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2kbz h GLN 97 Cb 1.50 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.98 2kbz h GLN 97 CO 0.11 0.63 -0.10 0.35 -1.93 0.00 0.00 178.83 177.89 2kbz h PHE 98 N 0.97 -0.25 0.15 3.99 3.04 -1.51 -3.40 116.94 119.93 2kbz h PHE 98 Ca 0.29 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.23 2kbz h PHE 98 Cb -0.04 0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.56 2kbz h PHE 98 CO -0.00 0.13 -0.07 -0.92 -2.02 0.00 0.00 178.31 175.43 2kbz h TYR 99 N -0.92 -0.19 -0.33 0.41 3.20 -1.41 -3.37 116.97 114.36 2kbz h TYR 99 Ca -0.03 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.93 2kbz h TYR 99 Cb 0.49 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2kbz h TYR 99 CO 0.07 0.25 0.31 1.98 -1.64 0.00 0.00 178.16 179.13 2kbz h MET 100 N -0.78 0.00 0.00 1.82 4.05 -1.30 -1.99 114.93 116.73 2kbz h MET 100 Ca -0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2kbz h MET 100 Cb 0.53 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2kbz h MET 100 CO 0.03 0.00 0.00 2.41 0.23 0.00 0.00 176.91 179.58 2kbz n THR 101 N -3.99 0.86 1.04 -0.77 -1.04 -1.26 -3.96 114.28 105.17 2kbz n THR 101 Ca 0.05 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 2kbz n THR 101 Cb 0.47 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 2kbz n THR 101 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2kbz n ASN 102 N -2.02 0.27 -0.46 8.00 0.23 -0.75 -4.68 115.26 115.86 2kbz n ASN 102 Ca 0.03 -1.32 0.37 0.00 -0.53 0.00 0.00 54.58 53.13 2kbz n ASN 102 Cb 0.22 -0.14 0.61 0.00 -2.08 0.00 0.00 39.78 38.39 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 -0.22 1.28 -2.55 -2.53 0.00 -1.25 -2.50 120.51 112.74 2kbz n ALA 103 Ca 0.00 0.70 -0.01 0.00 0.00 0.00 0.00 53.44 54.13 2kbz n ALA 103 Cb 0.07 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.53 -0.68 0.23 0.00 0.00 -1.26 -4.85 105.19 97.10 2kbz n GLY 104 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2kbz n GLY 104 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kbz n LEU 105 N -0.25 0.00 0.10 0.99 -0.00 -1.21 -4.89 117.00 111.74 2kbz n LEU 105 Ca -0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.77 2kbz n LEU 105 Cb 0.56 -0.01 -0.13 0.00 -0.00 0.00 0.00 43.42 43.85 2kbz n LEU 105 CO -0.04 -0.13 -0.02 0.74 -0.00 0.00 0.00 177.39 177.94 2kbz h THR 106 N 0.00 1.48 -0.60 1.47 2.02 -1.90 -3.44 112.91 111.94 2kbz h THR 106 Ca 0.00 -2.96 -0.39 0.00 0.77 0.00 0.00 66.41 63.83 2kbz h THR 106 Cb 0.00 2.87 -0.05 0.00 -1.74 0.00 0.00 68.15 69.23 2kbz h THR 106 CO 0.00 0.87 1.19 -0.83 0.37 0.00 0.00 175.52 177.12 2kbz s GLY 107 N -4.62 0.43 -0.83 2.16 0.00 -1.04 -4.96 107.32 98.47 2kbz s GLY 107 Ca -0.04 -2.15 -0.21 0.00 0.00 0.00 0.00 44.72 42.32 2kbz s GLY 107 CO 0.88 3.38 2.04 -0.96 0.00 0.00 0.00 173.10 178.45 2kbz n ARG 108 N 8.44 0.20 -1.93 2.90 1.85 -1.26 -0.53 116.66 126.33 2kbz n ARG 108 Ca 0.44 -1.05 -0.06 0.00 -1.00 0.00 0.00 57.85 56.19 2kbz n ARG 108 Cb 0.47 -3.16 -0.01 0.00 -1.05 0.00 0.00 32.46 28.71 2kbz n ARG 108 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2kbz n SER 109 N 16.02 -2.60 -3.28 2.89 2.88 -1.26 -3.87 113.62 124.39 2kbz n SER 109 Ca 0.39 0.02 -0.23 0.00 -1.33 0.00 0.00 58.87 57.72 2kbz n SER 109 Cb 0.43 -1.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 2kbz n SER 109 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2kbz n MET 110 N -1.79 -3.69 -1.22 -1.46 1.56 0.31 -2.00 117.12 108.83 2kbz n MET 110 Ca -0.07 0.56 -0.08 0.00 -0.27 0.00 0.00 57.70 57.85 2kbz n MET 110 Cb 0.48 -5.30 -0.03 0.00 2.15 0.00 0.00 33.22 30.52 2kbz n MET 110 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2kbz n ASP 111 N -2.33 -4.45 0.00 6.12 8.00 -1.25 -2.59 116.55 120.04 2kbz n ASP 111 Ca -0.04 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2kbz n ASP 111 Cb 0.56 -2.63 0.00 0.00 -0.02 0.00 0.00 41.12 39.02 2kbz n ASP 111 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2kbz n THR 112 N -2.60 0.00 0.00 -3.53 5.66 -0.85 -4.92 114.28 108.04 2kbz n THR 112 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2kbz n THR 112 Cb 0.34 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 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 0.00 -0.19 -1.98 1.08 3.14 -1.07 -4.97 118.33 114.34 2kbz n VAL 113 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 2kbz n VAL 113 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 2kbz n VAL 113 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2kbz n SER 114 N -0.77 -3.15 -4.09 6.55 2.88 -1.26 -5.03 113.62 108.76 2kbz n SER 114 Ca 0.00 0.03 -0.29 0.00 -1.33 0.00 0.00 58.87 57.28 2kbz n SER 114 Cb 0.00 -2.24 0.18 0.00 -0.75 0.00 0.00 64.21 61.39 2kbz n SER 114 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbz n TYR 115 N -3.77 -1.72 -3.71 0.66 0.18 -1.26 -5.11 117.16 102.43 2kbz n TYR 115 Ca -0.10 0.05 -0.11 0.00 1.88 0.00 0.00 57.90 59.62 2kbz n TYR 115 Cb 0.52 -1.51 -0.11 0.00 -0.38 0.00 0.00 39.34 37.85 2kbz n TYR 115 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 2kbz s ASN 116 N -1.94 -0.44 0.02 9.48 3.04 -1.26 -5.03 114.94 118.81 2kbz s ASN 116 Ca 0.53 0.78 0.25 0.00 0.04 0.00 0.00 52.86 54.46 2kbz s ASN 116 Cb -0.11 0.68 1.03 0.00 -1.54 0.00 0.00 41.25 41.31 2kbz s ASN 116 CO 0.59 -0.18 1.78 0.49 -3.04 0.00 0.00 177.10 176.74 2kbz n PHE 117 N 4.12 0.07 1.10 0.43 3.72 -1.26 -0.08 117.46 125.56 2kbz n PHE 117 Ca -0.23 0.02 0.13 0.00 -0.05 0.00 0.00 57.45 57.32 2kbz n PHE 117 Cb 0.55 -0.53 0.42 0.00 -0.94 0.00 0.00 39.48 38.98 2kbz n PHE 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kbz n ALA 118 N -1.52 3.05 0.00 4.37 0.00 -1.26 -4.20 120.51 120.95 2kbz n ALA 118 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2kbz n ALA 118 Cb 0.29 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2kbz n ALA 118 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kbz n THR 119 N -1.30 0.00 0.00 0.00 5.66 -0.94 -5.11 114.28 112.59 2kbz n THR 119 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 2kbz n THR 119 Cb 0.33 -0.58 0.00 0.00 -1.55 0.00 0.00 70.33 68.53 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 -2.21 1.09 -1.06 1.09 -0.58 0.88 -5.08 120.64 114.77 2kbz n GLU 120 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2kbz n GLU 120 Cb 0.44 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.25 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 -0.55 -1.69 -3.67 -5.35 -1.26 -4.84 119.36 102.00 2kbz n ILE 121 Ca 0.00 0.63 -0.42 0.00 -0.27 0.00 0.00 62.75 62.69 2kbz n ILE 121 Cb 0.00 -0.99 -0.03 0.00 -1.74 0.00 0.00 39.64 36.88 2kbz n ILE 121 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2kbz s PRO 122 N -3.74 4.14 0.00 6.28 0.04 -1.26 -4.92 135.00 135.54 2kbz s PRO 122 Ca 0.00 2.59 0.16 0.00 0.04 0.00 0.00 61.00 63.79 2kbz s PRO 122 Cb 0.00 -4.12 0.68 0.00 0.04 0.00 0.00 34.50 31.10 2kbz s PRO 122 CO 0.00 -0.94 1.51 0.45 0.04 0.00 0.00 177.00 178.05 2kbz n SER 123 N 7.42 0.00 0.03 6.66 2.88 -1.26 -2.68 113.62 126.66 2kbz n SER 123 Ca 0.20 0.48 -0.22 0.00 -1.33 0.00 0.00 58.87 58.00 2kbz n SER 123 Cb 0.41 -0.49 -0.14 0.00 -0.75 0.00 0.00 64.21 63.24 2kbz n SER 123 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbz h THR 124 N 0.00 1.04 0.00 2.46 1.03 -2.03 -3.37 112.91 112.05 2kbz h THR 124 Ca 0.00 -2.44 -0.11 0.00 -0.01 0.00 0.00 66.41 63.85 2kbz h THR 124 Cb 0.27 2.76 -0.02 0.00 -1.07 0.00 0.00 68.15 70.09 2kbz h THR 124 CO 0.00 0.74 -0.53 0.40 -0.01 0.00 0.00 175.52 176.12 2kbz h ILE 125 N -0.22 1.27 -0.51 0.00 1.08 -1.95 -3.31 117.51 113.88 2kbz h ILE 125 Ca -0.30 -1.88 0.15 0.00 -0.39 0.00 0.00 64.86 62.43 2kbz h ILE 125 Cb 1.83 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 37.61 2kbz h ILE 125 CO 0.09 0.52 0.49 0.25 -0.69 0.00 0.00 178.15 178.81 2kbz h LEU 126 N 0.00 0.00 0.00 1.44 7.12 -1.66 0.44 115.31 122.64 2kbz h LEU 126 Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2kbz h LEU 126 Cb 1.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 2kbz h LEU 126 CO 0.07 0.00 -0.34 0.11 -0.13 0.00 0.00 178.44 178.15 2kbz h LYS 127 N 0.00 0.00 0.00 1.25 6.56 -1.74 -3.25 116.57 119.40 2kbz h LYS 127 Ca 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.83 2kbz h LYS 127 Cb 1.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2kbz h LYS 127 CO -0.00 0.00 0.00 0.87 -2.06 0.00 0.00 179.45 178.26 2kbz h LYS 128 N 0.00 0.00 -0.75 3.15 1.57 -0.32 -3.29 116.57 116.92 2kbz h LYS 128 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2kbz h LYS 128 Cb 0.99 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.24 2kbz h LYS 128 CO 0.00 0.00 0.44 1.25 -0.57 0.00 0.00 179.45 180.57 2kbz h LEU 129 N 0.00 0.65 0.03 2.94 7.12 -1.54 -3.35 115.31 121.17 2kbz h LEU 129 Ca 0.00 0.03 -0.25 0.00 0.13 0.00 0.00 57.88 57.79 2kbz h LEU 129 Cb 0.74 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.74 2kbz h LEU 129 CO 0.00 0.41 -1.26 0.78 -0.13 0.00 0.00 178.44 178.25 2kbz h ASN 130 N 0.79 0.11 0.17 1.25 2.35 -1.76 -3.35 115.58 115.14 2kbz h ASN 130 Ca 0.34 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2kbz h ASN 130 Cb 0.22 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2kbz h ASN 130 CO -0.19 1.11 0.00 -0.81 -1.65 0.00 0.00 177.43 175.89 2kbz n PRO 131 N -3.32 0.03 0.00 0.81 -0.04 -1.26 -4.80 135.00 126.42 2kbz n PRO 131 Ca -0.07 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2kbz n PRO 131 Cb 0.99 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 -1.43 0.00 0.02 0.54 0.18 -1.26 -4.59 117.16 110.63 2kbz n TYR 132 Ca 0.02 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.83 2kbz n TYR 132 Cb 0.06 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.93 2kbz n TYR 132 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67 2kbz n ARG 133 N 0.00 0.64 0.18 -3.48 1.85 -1.26 -4.55 116.66 110.04 2kbz n ARG 133 Ca 0.00 0.08 0.03 0.00 -1.00 0.00 0.00 57.85 56.96 2kbz n ARG 133 Cb 0.00 -1.71 0.34 0.00 -1.05 0.00 0.00 32.46 30.04 2kbz n ARG 133 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 2kbz h LYS 134 N 0.00 0.00 -0.44 2.89 1.63 -1.88 -3.00 116.57 115.77 2kbz h LYS 134 Ca -0.15 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.54 2kbz h LYS 134 Cb 1.44 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 33.01 2kbz h LYS 134 CO 0.02 0.40 0.07 0.00 -3.45 0.00 0.00 179.45 176.50 2kbz n MET 135 N -3.97 2.98 -0.88 1.90 0.00 -1.26 -4.90 117.12 110.99 2kbz n MET 135 Ca -0.02 -3.01 -0.26 0.00 0.00 0.00 0.00 57.70 54.41 2kbz n MET 135 Cb 0.44 -1.97 -0.02 0.00 0.00 0.00 0.00 33.22 31.68 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 -0.51 5.10 -0.89 3.17 0.00 -1.14 -5.06 120.51 121.17 2kbz n ALA 136 Ca 0.30 -2.36 0.00 0.00 0.00 0.00 0.00 53.44 51.38 2kbz n ALA 136 Cb 1.09 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 17.43 2kbz n ALA 136 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37