#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 3.26 0.38 2.61 0.52 -1.26 -5.04 118.95 119.42 2kbz s ARG 40 Ca 0.00 -0.72 0.06 0.00 -0.52 0.00 0.00 55.73 54.55 2kbz s ARG 40 Cb 0.00 -2.69 0.75 0.00 0.52 0.00 0.00 34.95 33.53 2kbz s ARG 40 CO 0.00 0.00 1.98 -0.39 0.02 0.00 0.00 175.30 176.91 2kbz h VAL 41 N 5.64 1.15 0.00 3.52 -1.51 -2.08 -2.33 116.25 120.64 2kbz h VAL 41 Ca -0.34 -0.47 -0.07 0.00 -1.23 0.00 0.00 66.70 64.59 2kbz h VAL 41 Cb 1.19 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 2kbz h VAL 41 CO 0.58 0.18 -0.33 0.11 -1.23 0.00 0.00 177.57 176.88 2kbz h LYS 42 N 0.51 0.00 -0.08 5.19 1.79 -2.00 -3.31 116.57 118.67 2kbz h LYS 42 Ca 0.13 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.62 2kbz h LYS 42 Cb 0.13 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2kbz h LYS 42 CO -0.01 0.33 0.08 -0.09 -1.08 0.00 0.00 179.45 178.67 2kbz h ARG 43 N 0.00 0.00 -0.01 3.15 2.43 -1.82 0.40 114.38 118.54 2kbz h ARG 43 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2kbz h ARG 43 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2kbz h ARG 43 CO 0.04 0.00 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.42 2kbz h LEU 44 N 0.00 0.02 0.00 3.80 3.38 -1.73 -3.22 115.31 117.56 2kbz h LEU 44 Ca 0.04 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2kbz h LEU 44 Cb 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2kbz h LEU 44 CO -0.00 0.61 -0.72 0.17 0.09 0.00 0.00 178.44 178.60 2kbz h LEU 45 N -0.57 0.00 -1.55 1.67 -0.00 -1.66 0.27 115.31 113.47 2kbz h LEU 45 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2kbz h LEU 45 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 2kbz h LEU 45 CO 0.00 0.04 0.00 -1.28 -0.00 0.00 0.00 178.44 177.20 2kbz h SER 46 N 0.00 0.00 0.00 0.17 0.87 -0.30 -2.01 113.55 112.28 2kbz h SER 46 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kbz h SER 46 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2kbz h SER 46 CO 0.00 0.00 -0.54 -0.38 -0.53 0.00 0.00 176.83 175.38 2kbz n ILE 47 N -3.09 0.35 -3.36 2.23 5.41 -1.22 -4.66 119.36 115.03 2kbz n ILE 47 Ca 0.00 0.12 -0.45 0.00 1.00 0.00 0.00 62.75 63.42 2kbz n ILE 47 Cb 0.29 -1.36 -0.02 0.00 -0.71 0.00 0.00 39.64 37.85 2kbz n ILE 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2kbz s THR 48 N -2.00 5.64 0.00 1.39 2.01 0.95 -1.71 115.64 121.92 2kbz s THR 48 Ca 0.00 -2.92 0.00 0.00 0.31 0.00 0.00 61.69 59.08 2kbz s THR 48 Cb 0.00 -4.45 0.00 0.00 0.01 0.00 0.00 72.50 68.06 2kbz s THR 48 CO 0.00 -1.09 0.00 0.59 -0.69 0.00 0.00 174.62 173.43 2kbz n ASN 49 N 3.38 0.00 -4.71 3.53 3.02 -1.25 -4.05 115.26 115.18 2kbz n ASN 49 Ca 0.18 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.41 2kbz n ASN 49 Cb 0.43 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.73 2kbz n ASN 49 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2kbz s ASP 50 N 0.00 3.61 0.58 6.41 1.01 -0.76 -4.87 116.67 122.65 2kbz s ASP 50 Ca 0.00 2.13 0.39 0.00 0.71 0.00 0.00 52.55 55.78 2kbz s ASP 50 Cb 0.00 -2.56 1.43 0.00 1.01 0.00 0.00 42.92 42.80 2kbz s ASP 50 CO 0.00 -2.65 1.54 0.07 0.21 0.00 0.00 175.17 174.34 2kbz h LYS 51 N -1.34 0.00 -0.00 8.23 2.10 -1.90 -1.90 116.57 121.75 2kbz h LYS 51 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2kbz h LYS 51 Cb 1.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2kbz h LYS 51 CO 0.46 0.00 0.01 0.45 -2.00 0.00 0.00 179.45 178.37 2kbz h HIS 52 N 0.00 0.00 -0.85 0.07 3.86 -1.89 -3.00 115.15 113.34 2kbz h HIS 52 Ca 0.69 0.00 0.18 0.00 -1.16 0.00 0.00 60.37 60.08 2kbz h HIS 52 Cb 3.12 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 31.53 2kbz h HIS 52 CO 0.00 0.00 0.56 0.38 0.86 0.00 0.00 177.93 179.73 2kbz h ASP 53 N 0.00 0.41 0.31 2.45 2.03 -0.48 0.49 116.42 121.63 2kbz h ASP 53 Ca 0.00 0.03 -0.17 0.00 -0.73 0.00 0.00 57.03 56.17 2kbz h ASP 53 Cb 0.03 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.48 2kbz h ASP 53 CO -0.00 0.19 -0.67 1.05 -1.03 0.00 0.00 179.24 178.77 2kbz h GLU 54 N 0.42 0.33 0.03 4.15 -0.00 -1.80 -0.26 114.58 117.45 2kbz h GLU 54 Ca 0.43 -0.25 -0.27 0.00 -0.00 0.00 0.00 59.36 59.27 2kbz h GLU 54 Cb 1.03 0.05 0.02 0.00 -0.00 0.00 0.00 28.75 29.85 2kbz h GLU 54 CO -0.16 0.88 -1.08 -0.92 -0.00 0.00 0.00 179.01 177.74 2kbz h TYR 55 N 0.24 1.00 -0.01 2.06 3.20 -1.32 -3.05 116.97 119.09 2kbz h TYR 55 Ca -0.02 -0.56 -0.00 0.00 3.14 0.00 0.00 58.73 61.29 2kbz h TYR 55 Cb 1.22 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 2kbz h TYR 55 CO 0.03 1.40 -0.01 1.25 -1.64 0.00 0.00 178.16 179.20 2kbz h LEU 56 N 0.36 0.02 -1.59 2.82 6.46 -0.16 -3.29 115.31 119.93 2kbz h LEU 56 Ca -0.14 -0.45 0.05 0.00 -0.12 0.00 0.00 57.88 57.22 2kbz h LEU 56 Cb 1.74 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 41.63 2kbz h LEU 56 CO 0.21 0.46 0.34 0.71 -0.62 0.00 0.00 178.44 179.55 2kbz h THR 57 N -0.43 1.01 -0.09 1.05 1.35 -1.18 -3.08 112.91 111.56 2kbz h THR 57 Ca 0.00 -0.18 -0.06 0.00 -0.55 0.00 0.00 66.41 65.62 2kbz h THR 57 Cb 0.46 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.32 2kbz h THR 57 CO 0.00 0.09 -0.22 -0.33 -0.25 0.00 0.00 175.52 174.82 2kbz h GLU 58 N 0.52 0.15 -0.75 4.72 4.39 -1.60 -3.17 114.58 118.83 2kbz h GLU 58 Ca 0.22 -0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.00 2kbz h GLU 58 Cb 0.21 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.76 2kbz h GLU 58 CO -0.06 0.37 0.33 0.52 -1.16 0.00 0.00 179.01 179.01 2kbz h MET 59 N 0.14 0.49 0.06 2.33 2.86 -1.60 -2.86 114.93 116.35 2kbz h MET 59 Ca 0.02 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2kbz h MET 59 Cb 0.47 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2kbz h MET 59 CO 0.03 0.33 -0.03 0.28 1.06 0.00 0.00 176.91 178.58 2kbz h VAL 60 N 0.51 1.27 0.00 -2.22 2.07 -1.66 -2.85 116.25 113.37 2kbz h VAL 60 Ca 0.40 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2kbz h VAL 60 Cb 0.56 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2kbz h VAL 60 CO -0.36 0.30 0.27 -0.65 0.02 0.00 0.00 177.57 177.15 2kbz h PRO 61 N -0.63 0.00 -0.87 1.57 0.11 -1.65 0.30 132.00 130.82 2kbz h PRO 61 Ca -0.01 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.11 2kbz h PRO 61 Cb 0.55 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.61 2kbz h PRO 61 CO 0.01 0.00 0.58 -0.07 -0.21 0.00 0.00 178.00 178.31 2kbz h LEU 62 N 0.00 1.01 0.09 2.35 3.38 -1.28 0.37 115.31 121.23 2kbz h LEU 62 Ca 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kbz h LEU 62 Cb 0.55 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2kbz h LEU 62 CO 0.00 0.73 -0.04 0.25 0.09 0.00 0.00 178.44 179.47 2kbz h LEU 63 N 1.19 -0.10 -1.38 1.67 5.85 -0.59 -2.88 115.31 119.07 2kbz h LEU 63 Ca 0.32 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 2kbz h LEU 63 Cb -0.13 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2kbz h LEU 63 CO -0.07 0.55 -0.10 0.58 -0.34 0.00 0.00 178.44 179.06 2kbz h VAL 64 N -0.90 1.18 0.01 1.05 2.07 -0.62 0.36 116.25 119.39 2kbz h VAL 64 Ca -0.01 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 2kbz h VAL 64 Cb 0.55 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2kbz h VAL 64 CO 0.02 0.24 -0.12 -0.08 0.02 0.00 0.00 177.57 177.65 2kbz h GLU 65 N 0.28 0.07 -0.11 1.57 4.81 -1.11 -1.27 114.58 118.82 2kbz h GLU 65 Ca 0.06 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2kbz h GLU 65 Cb 0.35 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 2kbz h GLU 65 CO 0.02 0.91 -0.21 0.35 -0.73 0.00 0.00 179.01 179.35 2kbz h PHE 66 N -0.74 -0.56 0.41 0.92 3.57 -1.34 -1.60 116.94 117.60 2kbz h PHE 66 Ca -0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2kbz h PHE 66 Cb 0.96 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.96 2kbz h PHE 66 CO 0.22 -0.29 -0.20 0.00 -2.23 0.00 0.00 178.31 175.81 2kbz h ALA 67 N 0.69 -0.55 0.00 2.41 0.00 -1.08 -3.37 119.26 117.36 2kbz h ALA 67 Ca 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2kbz h ALA 67 Cb 0.42 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kbz h ALA 67 CO -0.27 -0.56 -0.19 -0.22 0.00 0.00 0.00 179.25 178.00 2kbz h LYS 68 N -1.04 0.00 -0.14 0.00 1.63 -1.34 -3.29 116.57 112.40 2kbz h LYS 68 Ca -0.06 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.78 2kbz h LYS 68 Cb 0.53 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 2kbz h LYS 68 CO 0.09 0.19 0.29 0.22 -3.45 0.00 0.00 179.45 176.80 2kbz h ASP 69 N 0.00 0.00 -0.79 4.20 3.58 -1.42 -2.02 116.42 119.98 2kbz h ASP 69 Ca -0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 2kbz h ASP 69 Cb 0.98 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.98 2kbz h ASP 69 CO 0.03 0.00 0.50 1.05 -2.88 0.00 0.00 179.24 177.94 2kbz h GLU 70 N 0.00 0.94 -0.11 0.28 -0.00 -1.74 -3.16 114.58 110.79 2kbz h GLU 70 Ca 0.07 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 2kbz h GLU 70 Cb 0.65 -0.21 0.00 0.00 -0.00 0.00 0.00 28.75 29.18 2kbz h GLU 70 CO -0.00 0.62 0.00 0.00 -0.00 0.00 0.00 179.01 179.63 2kbz n HIS 72 N 1.16 -2.35 -1.11 0.00 8.25 -1.19 -4.99 115.22 115.01 2kbz n HIS 72 Ca 0.13 0.92 -0.29 0.00 -0.26 0.00 0.00 57.72 58.22 2kbz n HIS 72 Cb 0.51 -4.42 0.21 0.00 1.12 0.00 0.00 29.99 27.42 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 -3.64 1.65 -0.88 0.41 2.20 -1.25 -4.93 114.94 108.51 2kbz s ASN 73 Ca 0.44 0.90 -0.03 0.00 -0.94 0.00 0.00 52.86 53.23 2kbz s ASN 73 Cb -0.21 -1.35 0.21 0.00 -2.00 0.00 0.00 41.25 37.90 2kbz s ASN 73 CO 0.79 -3.70 2.28 -0.81 -2.94 0.00 0.00 177.10 172.72 2kbz n PRO 74 N -4.51 3.66 -0.36 3.55 -0.04 -1.26 -4.44 135.00 131.59 2kbz n PRO 74 Ca 0.09 -3.43 0.04 0.00 -0.04 0.00 0.00 63.50 60.16 2kbz n PRO 74 Cb 0.58 -2.36 0.18 0.00 -0.04 0.00 0.00 33.50 31.86 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 0.46 0.85 -4.25 0.54 -1.74 -1.26 -4.84 117.46 107.22 2kbz n PHE 75 Ca 0.53 -0.31 -0.27 0.00 -0.56 0.00 0.00 57.45 56.84 2kbz n PHE 75 Cb 0.33 -0.23 -0.09 0.00 1.52 0.00 0.00 39.48 41.01 2kbz n PHE 75 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 2kbz s ILE 76 N -1.75 3.45 0.32 1.97 1.01 -1.26 -0.54 121.20 124.40 2kbz s ILE 76 Ca 0.24 -1.53 0.09 0.00 0.00 0.00 0.00 60.65 59.45 2kbz s ILE 76 Cb 0.17 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 2kbz s ILE 76 CO 0.09 -0.10 0.00 -0.62 0.00 0.00 0.00 174.94 174.31 2kbz s ASP 77 N -2.85 4.23 0.12 3.58 2.15 0.53 -4.47 116.67 119.96 2kbz s ASP 77 Ca 0.26 -0.92 0.07 0.00 0.43 0.00 0.00 52.55 52.39 2kbz s ASP 77 Cb -0.09 -0.58 0.37 0.00 -0.30 0.00 0.00 42.92 42.32 2kbz s ASP 77 CO 0.17 -0.18 1.15 1.17 -0.17 0.00 0.00 175.17 177.31 2kbz n LYS 78 N -0.93 0.04 0.00 4.34 4.81 -1.26 -0.71 118.16 124.45 2kbz n LYS 78 Ca -0.05 0.50 0.11 0.00 -0.87 0.00 0.00 58.31 58.00 2kbz n LYS 78 Cb 0.61 -1.73 -0.02 0.00 0.02 0.00 0.00 35.03 33.92 2kbz n LYS 78 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2kbz n ASP 79 N -1.71 1.12 -0.02 3.14 8.00 -1.26 -4.95 116.55 120.87 2kbz n ASP 79 Ca -0.00 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.52 2kbz n ASP 79 Cb 0.09 0.74 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 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 1.48 0.61 0.74 0.44 0.00 0.11 -5.09 105.19 103.49 2kbz n GLY 80 Ca 0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 2kbz n GLY 80 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kbz n ASN 81 N 1.71 0.37 -4.91 1.61 2.85 -1.23 -4.83 115.26 110.84 2kbz n ASN 81 Ca 0.00 -1.28 -0.29 0.00 -0.11 0.00 0.00 54.58 52.90 2kbz n ASN 81 Cb 0.43 -0.09 -0.04 0.00 1.24 0.00 0.00 39.78 41.33 2kbz n ASN 81 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2kbz s GLU 82 N -2.58 3.61 0.08 1.20 8.01 -1.26 -0.35 118.70 127.42 2kbz s GLU 82 Ca 0.12 -0.09 -0.21 0.00 0.01 0.00 0.00 54.97 54.80 2kbz s GLU 82 Cb -0.01 -2.74 0.05 0.00 -4.31 0.00 0.00 34.13 27.12 2kbz s GLU 82 CO 0.08 0.33 0.49 0.45 0.01 0.00 0.00 175.26 176.62 2kbz s SER 83 N -2.95 -0.39 -0.03 -0.19 0.15 0.30 -4.48 113.70 106.11 2kbz s SER 83 Ca 0.42 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 57.07 2kbz s SER 83 Cb -0.11 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.72 2kbz s SER 83 CO 0.28 -0.78 0.07 0.27 1.20 0.00 0.00 173.24 174.28 2kbz s ILE 84 N -2.95 -0.04 0.96 6.45 -0.00 -1.26 -4.17 121.20 120.19 2kbz s ILE 84 Ca -0.02 0.15 -0.12 0.00 -0.00 0.00 0.00 60.65 60.65 2kbz s ILE 84 Cb -0.00 -0.13 0.17 0.00 -0.00 0.00 0.00 42.46 42.49 2kbz s ILE 84 CO -0.06 0.06 1.10 -2.16 -0.00 0.00 0.00 174.94 173.89 2kbz s PRO 85 N 0.84 0.73 0.41 0.37 0.04 -1.26 -4.68 135.00 131.44 2kbz s PRO 85 Ca -0.07 0.49 0.21 0.00 0.04 0.00 0.00 61.00 61.67 2kbz s PRO 85 Cb -0.09 -1.77 1.17 0.00 0.04 0.00 0.00 34.50 33.84 2kbz s PRO 85 CO -0.03 -2.52 1.76 0.77 0.04 0.00 0.00 177.00 177.01 2kbz h SER 86 N -1.74 0.39 -0.01 6.66 0.02 -2.02 -1.07 113.55 115.79 2kbz h SER 86 Ca -0.53 0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 60.35 2kbz h SER 86 Cb 1.32 0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.90 2kbz h SER 86 CO 0.58 0.05 -0.59 1.23 -1.14 0.00 0.00 176.83 176.96 2kbz h GLY 87 N 0.33 0.46 2.00 -3.77 0.00 -1.96 -2.63 103.07 97.50 2kbz h GLY 87 Ca 0.62 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 2kbz h GLY 87 CO -0.29 0.70 -0.18 -0.39 0.00 0.00 0.00 176.54 176.38 2kbz h VAL 88 N -0.09 0.36 -0.31 4.60 -1.51 -1.75 -2.69 116.25 114.85 2kbz h VAL 88 Ca -0.07 -1.21 -0.15 0.00 -1.23 0.00 0.00 66.70 64.04 2kbz h VAL 88 Cb 1.30 1.93 -0.00 0.00 -2.13 0.00 0.00 31.29 32.38 2kbz h VAL 88 CO 0.12 0.18 -0.38 0.25 -1.23 0.00 0.00 177.57 176.51 2kbz h LEU 89 N 0.00 0.87 -1.34 4.19 6.46 -1.28 -0.62 115.31 123.59 2kbz h LEU 89 Ca -0.00 -0.49 -0.07 0.00 -0.12 0.00 0.00 57.88 57.20 2kbz h LEU 89 Cb 0.91 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 2kbz h LEU 89 CO 0.02 1.18 -0.32 0.16 -0.62 0.00 0.00 178.44 178.86 2kbz h ILE 90 N 0.57 1.11 0.01 4.05 3.07 -1.37 -2.67 117.51 122.29 2kbz h ILE 90 Ca 0.04 -1.16 -0.00 0.00 1.55 0.00 0.00 64.86 65.29 2kbz h ILE 90 Cb 0.97 1.64 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 2kbz h ILE 90 CO 0.09 0.32 -0.00 0.15 -1.05 0.00 0.00 178.15 177.65 2kbz h PHE 91 N 0.00 -0.01 -0.11 0.16 3.57 -1.42 -2.14 116.94 116.99 2kbz h PHE 91 Ca -0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2kbz h PHE 91 Cb 0.62 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 2kbz h PHE 91 CO 0.00 0.21 -0.37 -0.39 -2.23 0.00 0.00 178.31 175.54 2kbz h VAL 92 N -0.24 0.22 0.00 1.41 -1.51 -0.77 -0.15 116.25 115.21 2kbz h VAL 92 Ca -0.00 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.50 2kbz h VAL 92 Cb 0.23 0.22 -0.06 0.00 -2.13 0.00 0.00 31.29 29.55 2kbz h VAL 92 CO 0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 177.57 175.89 2kbz h ALA 93 N 0.25 -0.75 -0.00 5.19 0.00 -1.61 -2.85 119.26 119.49 2kbz h ALA 93 Ca 0.08 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 2kbz h ALA 93 Cb 0.59 0.80 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2kbz h ALA 93 CO -0.36 -1.00 -0.83 0.87 0.00 0.00 0.00 179.25 177.93 2kbz h LYS 94 N -0.61 0.10 0.31 0.00 1.79 -1.27 -2.32 116.57 114.57 2kbz h LYS 94 Ca 0.04 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 2kbz h LYS 94 Cb 0.68 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2kbz h LYS 94 CO -0.33 0.87 -0.15 0.00 -1.08 0.00 0.00 179.45 178.76 2kbz h ALA 95 N 1.09 -0.41 0.07 3.86 0.00 -1.10 -2.75 119.26 120.03 2kbz h ALA 95 Ca -0.02 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.48 2kbz h ALA 95 Cb 1.44 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2kbz h ALA 95 CO 0.12 -0.64 -1.11 0.00 0.00 0.00 0.00 179.25 177.63 2kbz h ALA 96 N 0.03 0.22 -0.08 0.00 0.00 -1.65 -2.55 119.26 115.23 2kbz h ALA 96 Ca -0.04 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 2kbz h ALA 96 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kbz h ALA 96 CO 0.07 0.89 -0.03 -0.56 0.00 0.00 0.00 179.25 179.62 2kbz h GLN 97 N 0.15 0.12 0.02 0.00 -0.00 -1.49 0.99 115.11 114.89 2kbz h GLN 97 Ca -0.11 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.52 2kbz h GLN 97 Cb 1.79 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 29.25 2kbz h GLN 97 CO 0.19 0.16 -0.01 0.35 -0.00 0.00 0.00 178.83 179.52 2kbz h PHE 98 N 0.12 -0.03 -0.14 0.06 3.04 -1.54 -3.38 116.94 115.07 2kbz h PHE 98 Ca 0.03 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.89 2kbz h PHE 98 Cb 0.13 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.65 2kbz h PHE 98 CO 0.00 0.58 -0.24 -0.92 -2.02 0.00 0.00 178.31 175.71 2kbz h TYR 99 N -0.67 0.52 0.00 0.41 3.20 -1.31 -3.38 116.97 115.73 2kbz h TYR 99 Ca -0.00 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.69 2kbz h TYR 99 Cb 0.62 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 2kbz h TYR 99 CO 0.14 0.86 -0.00 1.98 -1.64 0.00 0.00 178.16 179.50 2kbz h MET 100 N 0.02 0.00 -0.14 1.82 4.05 -1.00 -2.40 114.93 117.28 2kbz h MET 100 Ca 0.01 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.26 2kbz h MET 100 Cb 0.82 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.62 2kbz h MET 100 CO 0.06 0.00 -0.61 0.00 0.23 0.00 0.00 176.91 176.59 2kbz h THR 101 N 0.00 1.34 0.00 -0.77 1.03 -1.75 -3.45 112.91 109.31 2kbz h THR 101 Ca -0.00 -1.91 0.00 0.00 -0.01 0.00 0.00 66.41 64.49 2kbz h THR 101 Cb 0.01 1.89 0.00 0.00 -1.07 0.00 0.00 68.15 68.98 2kbz h THR 101 CO 0.00 0.59 0.00 -3.20 -0.01 0.00 0.00 175.52 172.90 2kbz n ASN 102 N -3.92 0.00 -1.69 0.00 2.85 -1.23 -5.04 115.26 106.23 2kbz n ASN 102 Ca -0.04 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.35 2kbz n ASN 102 Cb 0.64 0.00 0.24 0.00 1.24 0.00 0.00 39.78 41.90 2kbz n ASN 102 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kbz n ALA 103 N 0.00 4.56 0.00 5.20 0.00 -0.91 -4.88 120.51 124.49 2kbz n ALA 103 Ca 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.75 2kbz n ALA 103 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.70 1.15 0.07 0.00 0.00 -1.26 -5.04 105.19 99.40 2kbz n GLY 104 Ca 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.38 2kbz n GLY 104 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2kbz h LEU 105 N 0.00 0.00 -0.86 0.99 -0.00 -1.89 -3.31 115.31 110.24 2kbz h LEU 105 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2kbz h LEU 105 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2kbz h LEU 105 CO 0.00 0.76 0.00 0.41 -0.00 0.00 0.00 178.44 179.61 2kbz n THR 106 N -4.63 0.25 0.95 0.15 -1.04 -1.26 -0.90 114.28 107.80 2kbz n THR 106 Ca -0.08 -0.30 0.10 0.00 -2.04 0.00 0.00 64.05 61.74 2kbz n THR 106 Cb 0.25 0.17 -0.03 0.00 -1.82 0.00 0.00 70.33 68.91 2kbz n THR 106 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kbz n GLY 107 N 0.95 -0.15 0.00 3.41 0.00 -1.26 -4.88 105.19 103.27 2kbz n GLY 107 Ca 0.11 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2kbz n GLY 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kbz n ARG 108 N -0.31 0.00 -3.19 1.61 0.63 -1.13 -4.97 116.66 109.30 2kbz n ARG 108 Ca 0.08 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.83 2kbz n ARG 108 Cb 0.42 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.32 2kbz n ARG 108 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2kbz n SER 109 N -1.06 2.33 0.00 6.15 7.64 -0.08 -5.07 113.62 123.52 2kbz n SER 109 Ca 0.00 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.60 2kbz n SER 109 Cb 0.00 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2kbz n SER 109 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2kbz n MET 110 N -1.21 0.00 -3.80 1.43 1.56 -1.26 -4.36 117.12 109.48 2kbz n MET 110 Ca -0.04 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.08 2kbz n MET 110 Cb 0.41 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.68 2kbz n MET 110 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 2kbz n ASP 111 N 0.00 3.50 -1.54 6.12 5.68 -1.26 -4.76 116.55 124.29 2kbz n ASP 111 Ca 0.00 -3.19 -0.02 0.00 -0.50 0.00 0.00 54.79 51.08 2kbz n ASP 111 Cb 0.00 -0.87 0.01 0.00 -1.14 0.00 0.00 41.12 39.12 2kbz n ASP 111 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2kbz n THR 112 N 2.07 -1.47 -3.17 2.12 -2.24 -1.26 -5.02 114.28 105.31 2kbz n THR 112 Ca 0.21 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.57 2kbz n THR 112 Cb 0.36 -3.17 -0.05 0.00 -2.10 0.00 0.00 70.33 65.37 2kbz n THR 112 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2kbz n VAL 113 N -1.57 3.21 0.00 2.28 0.31 -1.26 -4.90 118.33 116.39 2kbz n VAL 113 Ca -0.02 -5.48 0.00 0.00 -0.01 0.00 0.00 64.34 58.83 2kbz n VAL 113 Cb 0.52 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 2kbz n VAL 113 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2kbz n SER 114 N 0.50 0.00 0.00 4.52 7.64 -1.26 -4.86 113.62 120.15 2kbz n SER 114 Ca 0.31 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2kbz n SER 114 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.00 0.00 -0.94 1.43 4.02 -1.26 -3.97 117.16 116.44 2kbz n TYR 115 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2kbz n TYR 115 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2kbz n TYR 115 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2kbz n ASN 116 N 5.66 0.00 0.00 7.72 2.04 -1.26 -5.03 115.26 124.39 2kbz n ASN 116 Ca 0.00 -0.33 0.09 0.00 -0.44 0.00 0.00 54.58 53.90 2kbz n ASN 116 Cb 0.00 0.00 0.46 0.00 -2.53 0.00 0.00 39.78 37.71 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 0.00 0.00 0.46 -2.53 3.72 -1.25 0.40 117.46 118.26 2kbz n PHE 117 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 2kbz n PHE 117 Cb 0.17 -0.35 0.12 0.00 -0.94 0.00 0.00 39.48 38.48 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 2.83 0.55 0.00 4.37 0.00 -1.90 -3.27 119.26 121.84 2kbz h ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kbz h ALA 118 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kbz h ALA 118 CO 0.00 0.00 -0.17 -2.37 0.00 0.00 0.00 179.25 176.71 2kbz n THR 119 N -2.25 0.00 -0.99 0.00 5.66 0.10 -5.06 114.28 111.74 2kbz n THR 119 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 2kbz n THR 119 Cb 0.47 0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 2kbz n THR 119 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kbz n GLU 120 N -0.36 3.54 -0.41 1.09 -0.58 0.16 -5.11 120.64 118.97 2kbz n GLU 120 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2kbz n GLU 120 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 2kbz n GLU 120 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2kbz n ILE 121 N 0.00 -2.25 -1.68 -3.67 2.08 -1.26 -4.86 119.36 107.71 2kbz n ILE 121 Ca 0.00 0.48 -0.50 0.00 0.56 0.00 0.00 62.75 63.29 2kbz n ILE 121 Cb 0.00 -1.66 -0.05 0.00 -0.75 0.00 0.00 39.64 37.18 2kbz n ILE 121 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2kbz n PRO 122 N -0.20 1.91 -0.07 0.38 -0.04 -1.26 -4.58 135.00 131.14 2kbz n PRO 122 Ca 0.00 0.70 0.01 0.00 -0.04 0.00 0.00 63.50 64.17 2kbz n PRO 122 Cb 0.00 -2.49 0.03 0.00 -0.04 0.00 0.00 33.50 30.99 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 5.83 -0.07 -0.04 3.54 7.64 -1.26 -1.14 113.62 128.13 2kbz n SER 123 Ca 0.23 0.33 -0.05 0.00 1.01 0.00 0.00 58.87 60.38 2kbz n SER 123 Cb 0.25 -0.10 0.15 0.00 -1.01 0.00 0.00 64.21 63.50 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 1.27 0.00 0.44 1.03 -2.03 -3.06 112.91 110.56 2kbz h THR 124 Ca 0.09 -1.28 -0.08 0.00 -0.01 0.00 0.00 66.41 65.14 2kbz h THR 124 Cb 0.14 1.24 -0.01 0.00 -1.07 0.00 0.00 68.15 68.45 2kbz h THR 124 CO -0.20 0.42 -0.39 0.16 -0.01 0.00 0.00 175.52 175.50 2kbz h ILE 125 N 0.57 0.97 -0.18 0.00 -2.65 -1.47 -3.26 117.51 111.48 2kbz h ILE 125 Ca 0.08 -1.51 0.05 0.00 1.03 0.00 0.00 64.86 64.52 2kbz h ILE 125 Cb 0.68 1.90 -0.01 0.00 -2.05 0.00 0.00 36.82 37.34 2kbz h ILE 125 CO 0.05 0.38 0.17 0.25 0.03 0.00 0.00 178.15 179.03 2kbz h LEU 126 N 0.00 0.00 -0.05 0.16 7.12 -1.48 0.23 115.31 121.30 2kbz h LEU 126 Ca -0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 2kbz h LEU 126 Cb 0.87 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.00 2kbz h LEU 126 CO 0.05 0.00 -0.00 0.11 -0.13 0.00 0.00 178.44 178.47 2kbz h LYS 127 N 0.00 0.00 0.00 1.25 1.57 -1.69 -3.00 116.57 114.70 2kbz h LYS 127 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2kbz h LYS 127 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2kbz h LYS 127 CO -0.00 0.00 -0.17 1.17 -0.57 0.00 0.00 179.45 179.88 2kbz n LYS 128 N -3.10 0.21 0.23 3.15 4.81 0.73 -2.79 118.16 121.41 2kbz n LYS 128 Ca 0.04 0.14 0.07 0.00 -0.87 0.00 0.00 58.31 57.68 2kbz n LYS 128 Cb 0.52 -1.71 0.55 0.00 0.02 0.00 0.00 35.03 34.42 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 0.00 -0.19 3.14 7.12 -1.20 -3.38 115.31 120.81 2kbz h LEU 129 Ca 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.96 2kbz h LEU 129 Cb 0.69 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.81 2kbz h LEU 129 CO 0.00 0.15 -0.24 0.78 -0.13 0.00 0.00 178.44 178.99 2kbz h ASN 130 N 0.00 0.00 0.25 1.25 -0.26 -1.67 -3.40 115.58 111.74 2kbz h ASN 130 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2kbz h ASN 130 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 2kbz h ASN 130 CO 0.02 0.24 0.00 -2.65 -1.06 0.00 0.00 177.43 173.98 2kbz n PRO 131 N -3.18 0.10 0.00 0.81 -0.02 -1.26 -4.87 135.00 126.57 2kbz n PRO 131 Ca 0.03 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2kbz n PRO 131 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.35 0.00 -4.02 6.00 0.18 -1.26 -5.03 117.16 111.68 2kbz n TYR 132 Ca 0.04 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.57 2kbz n TYR 132 Cb 0.10 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.01 2kbz n TYR 132 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 2kbz s ARG 133 N 0.00 3.17 -0.34 -3.48 3.52 -1.26 -4.65 118.95 115.91 2kbz s ARG 133 Ca 0.00 -0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 54.84 2kbz s ARG 133 Cb 0.00 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.60 2kbz s ARG 133 CO 0.00 0.49 0.07 1.63 -0.81 0.00 0.00 175.30 176.68 2kbz n LYS 134 N -0.57 -0.71 0.24 5.12 4.76 -1.26 -4.82 118.16 120.91 2kbz n LYS 134 Ca -0.08 0.19 0.14 0.00 -2.87 0.00 0.00 58.31 55.70 2kbz n LYS 134 Cb 0.55 -3.72 0.37 0.00 -1.84 0.00 0.00 35.03 30.39 2kbz n LYS 134 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2kbz h MET 135 N -0.16 0.00 0.00 1.97 2.86 -1.90 -3.34 114.93 114.37 2kbz h MET 135 Ca -0.10 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.16 2kbz h MET 135 Cb 1.07 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.67 2kbz h MET 135 CO 0.12 0.00 -2.41 0.00 1.06 0.00 0.00 176.91 175.67 2kbz n ALA 136 N -2.09 1.45 0.47 6.32 0.00 -1.26 -5.20 120.51 120.19 2kbz n ALA 136 Ca 0.03 -1.17 0.06 0.00 0.00 0.00 0.00 53.44 52.35 2kbz n ALA 136 Cb 0.44 -0.16 0.05 0.00 0.00 0.00 0.00 19.45 19.77 2kbz n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04