#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbz h ARG 40 N 0.00 0.09 -0.55 -1.09 3.08 -2.09 -3.40 114.38 110.43 2kbz h ARG 40 Ca 0.00 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 59.93 2kbz h ARG 40 Cb 0.00 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2kbz h ARG 40 CO 0.00 1.08 0.36 0.28 -1.07 0.00 0.00 179.97 180.62 2kbz h VAL 41 N -0.76 1.06 0.00 2.04 2.07 -2.08 -2.60 116.25 115.98 2kbz h VAL 41 Ca -0.19 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 2kbz h VAL 41 Cb 1.35 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2kbz h VAL 41 CO -0.03 0.11 -0.31 0.07 0.02 0.00 0.00 177.57 177.43 2kbz h LYS 42 N 0.62 0.00 0.00 1.57 2.10 -2.01 -3.24 116.57 115.61 2kbz h LYS 42 Ca 0.22 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.84 2kbz h LYS 42 Cb 0.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2kbz h LYS 42 CO -0.06 0.31 -0.15 0.00 -2.00 0.00 0.00 179.45 177.55 2kbz h ARG 43 N 0.00 0.00 -0.23 0.07 2.47 -1.67 0.68 114.38 115.70 2kbz h ARG 43 Ca -0.00 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.63 2kbz h ARG 43 Cb 0.65 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 2kbz h ARG 43 CO 0.04 0.15 -0.21 -0.07 0.56 0.00 0.00 179.97 180.44 2kbz h LEU 44 N 0.00 0.42 0.00 3.04 3.38 -1.71 -3.27 115.31 117.17 2kbz h LEU 44 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2kbz h LEU 44 Cb 0.44 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kbz h LEU 44 CO 0.02 0.64 -1.28 0.00 0.09 0.00 0.00 178.44 177.91 2kbz n LEU 45 N -4.16 0.00 0.19 1.67 -0.00 -1.05 -4.10 117.00 109.56 2kbz n LEU 45 Ca -0.00 -0.01 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 2kbz n LEU 45 Cb 0.37 0.00 0.41 0.00 -0.00 0.00 0.00 43.42 44.20 2kbz n LEU 45 CO 0.41 0.00 0.88 0.28 -0.00 0.00 0.00 177.39 178.96 2kbz h SER 46 N 0.00 0.00 0.00 1.45 0.02 0.24 -2.16 113.55 113.10 2kbz h SER 46 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kbz h SER 46 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2kbz h SER 46 CO 0.00 0.00 0.00 -0.38 -1.14 0.00 0.00 176.83 175.31 2kbz n ILE 47 N -2.71 0.00 -2.38 3.27 5.41 -1.23 -4.67 119.36 117.04 2kbz n ILE 47 Ca 0.03 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.36 2kbz n ILE 47 Cb 0.40 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 2kbz n ILE 47 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2kbz n THR 48 N -2.13 4.23 0.00 1.39 5.66 -1.26 -1.70 114.28 120.46 2kbz n THR 48 Ca 0.00 -4.30 0.00 0.00 -3.05 0.00 0.00 64.05 56.70 2kbz n THR 48 Cb 0.00 -2.40 0.00 0.00 -1.55 0.00 0.00 70.33 66.38 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 4.54 0.00 -3.06 1.09 3.02 -1.26 -4.46 115.26 115.14 2kbz n ASN 49 Ca 0.41 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.92 2kbz n ASN 49 Cb 0.38 0.00 0.04 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 -1.91 0.13 6.41 2.03 -0.81 -4.89 116.55 117.51 2kbz n ASP 50 Ca 0.00 -0.11 0.01 0.00 0.52 0.00 0.00 54.79 55.20 2kbz n ASP 50 Cb 0.00 -0.15 0.06 0.00 -0.72 0.00 0.00 41.12 40.31 2kbz n ASP 50 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2kbz h LYS 51 N 0.00 0.00 0.00 -0.67 1.79 -1.85 -3.13 116.57 112.71 2kbz h LYS 51 Ca -0.05 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2kbz h LYS 51 Cb 0.17 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2kbz h LYS 51 CO 0.03 0.60 -0.00 0.45 -1.08 0.00 0.00 179.45 179.45 2kbz h HIS 52 N 0.00 0.00 -0.42 -1.35 3.86 -1.86 -2.30 115.15 113.08 2kbz h HIS 52 Ca -0.01 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 2kbz h HIS 52 Cb 1.37 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.82 2kbz h HIS 52 CO 0.00 0.00 0.29 0.22 0.86 0.00 0.00 177.93 179.30 2kbz h ASP 53 N 0.00 0.26 0.11 2.45 3.58 -1.27 0.18 116.42 121.73 2kbz h ASP 53 Ca -0.00 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 2kbz h ASP 53 Cb 0.00 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 2kbz h ASP 53 CO 0.00 0.17 -0.69 1.05 -2.88 0.00 0.00 179.24 176.88 2kbz h GLU 54 N 0.29 0.53 -0.06 0.28 4.11 -1.65 0.55 114.58 118.64 2kbz h GLU 54 Ca 0.19 -0.41 -0.18 0.00 0.07 0.00 0.00 59.36 59.04 2kbz h GLU 54 Cb 0.37 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.70 2kbz h GLU 54 CO -0.04 1.03 -0.65 -0.92 0.07 0.00 0.00 179.01 178.50 2kbz h TYR 55 N 0.37 0.77 0.10 2.06 3.20 -1.55 -3.28 116.97 118.65 2kbz h TYR 55 Ca -0.03 -0.38 -0.01 0.00 3.14 0.00 0.00 58.73 61.46 2kbz h TYR 55 Cb 1.27 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2kbz h TYR 55 CO 0.05 1.18 -0.05 1.25 -1.64 0.00 0.00 178.16 178.96 2kbz h LEU 56 N 0.13 -0.12 -1.58 2.82 6.46 -0.72 -3.35 115.31 118.96 2kbz h LEU 56 Ca -0.06 -0.43 0.09 0.00 -0.12 0.00 0.00 57.88 57.35 2kbz h LEU 56 Cb 1.32 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 41.24 2kbz h LEU 56 CO 0.13 0.42 0.41 0.71 -0.62 0.00 0.00 178.44 179.49 2kbz h THR 57 N -0.71 0.93 -0.27 1.05 1.35 -1.05 -3.17 112.91 111.03 2kbz h THR 57 Ca -0.01 -0.17 -0.08 0.00 -0.55 0.00 0.00 66.41 65.60 2kbz h THR 57 Cb 0.54 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.34 2kbz h THR 57 CO 0.02 0.09 -0.17 -0.33 -0.25 0.00 0.00 175.52 174.88 2kbz h GLU 58 N 0.49 0.47 -0.69 4.72 4.39 -1.69 -3.20 114.58 119.08 2kbz h GLU 58 Ca 0.28 -0.15 0.13 0.00 0.34 0.00 0.00 59.36 59.96 2kbz h GLU 58 Cb 0.47 -0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.98 2kbz h GLU 58 CO -0.08 0.63 0.22 0.52 -1.16 0.00 0.00 179.01 179.14 2kbz h MET 59 N 0.43 0.34 0.55 2.33 2.86 -1.68 -2.98 114.93 116.79 2kbz h MET 59 Ca 0.07 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2kbz h MET 59 Cb 0.55 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.14 2kbz h MET 59 CO 0.04 0.23 -0.26 0.28 1.06 0.00 0.00 176.91 178.25 2kbz h VAL 60 N 0.35 0.20 0.00 -2.22 2.07 -1.67 -2.95 116.25 112.04 2kbz h VAL 60 Ca 0.37 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2kbz h VAL 60 Cb 0.57 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2kbz h VAL 60 CO -0.41 0.03 0.34 -0.65 0.02 0.00 0.00 177.57 176.90 2kbz h PRO 61 N -1.10 0.00 -0.43 1.57 0.11 -1.62 0.43 132.00 130.96 2kbz h PRO 61 Ca -0.08 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 2kbz h PRO 61 Cb 0.62 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 2kbz h PRO 61 CO 0.12 0.00 0.01 -0.07 -0.21 0.00 0.00 178.00 177.85 2kbz h LEU 62 N 0.00 0.74 -0.09 2.35 4.07 -1.39 0.44 115.31 121.43 2kbz h LEU 62 Ca 0.00 -0.30 -0.04 0.00 0.08 0.00 0.00 57.88 57.62 2kbz h LEU 62 Cb 0.68 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 2kbz h LEU 62 CO 0.00 0.86 -0.11 0.25 -1.08 0.00 0.00 178.44 178.37 2kbz h LEU 63 N 0.60 0.25 -0.89 1.67 5.85 -0.29 -2.90 115.31 119.60 2kbz h LEU 63 Ca 0.12 -0.50 -0.10 0.00 0.84 0.00 0.00 57.88 58.24 2kbz h LEU 63 Cb 0.47 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2kbz h LEU 63 CO 0.02 0.70 -0.32 0.58 -0.34 0.00 0.00 178.44 179.08 2kbz h VAL 64 N -0.20 1.28 0.04 1.05 2.07 -0.46 0.15 116.25 120.18 2kbz h VAL 64 Ca 0.01 -1.38 -0.28 0.00 0.82 0.00 0.00 66.70 65.87 2kbz h VAL 64 Cb 0.64 1.47 0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2kbz h VAL 64 CO 0.03 0.43 -1.11 -0.08 0.02 0.00 0.00 177.57 176.85 2kbz h GLU 65 N 0.38 0.66 0.41 1.57 4.81 -1.04 0.22 114.58 121.58 2kbz h GLU 65 Ca 0.05 -0.77 -0.01 0.00 -0.13 0.00 0.00 59.36 58.50 2kbz h GLU 65 Cb 0.75 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 2kbz h GLU 65 CO 0.06 1.34 -0.25 0.35 -0.73 0.00 0.00 179.01 179.77 2kbz h PHE 66 N 0.34 -0.65 -0.24 0.92 3.04 -1.47 -2.86 116.94 116.03 2kbz h PHE 66 Ca -0.15 -0.01 -0.20 0.00 3.98 0.00 0.00 57.97 61.60 2kbz h PHE 66 Cb 1.77 0.23 0.00 0.00 2.56 0.00 0.00 35.95 40.52 2kbz h PHE 66 CO 0.10 -0.39 -0.63 0.00 -2.02 0.00 0.00 178.31 175.38 2kbz h ALA 67 N -0.07 0.43 -0.02 2.41 0.00 -1.06 -3.35 119.26 117.59 2kbz h ALA 67 Ca -0.04 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 2kbz h ALA 67 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2kbz h ALA 67 CO 0.05 0.68 -0.79 -0.22 0.00 0.00 0.00 179.25 178.97 2kbz h LYS 68 N 0.62 0.19 -0.14 0.00 1.63 -0.68 -3.30 116.57 114.88 2kbz h LYS 68 Ca -0.01 -0.18 0.04 0.00 -0.85 0.00 0.00 60.65 59.65 2kbz h LYS 68 Cb 1.24 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.91 2kbz h LYS 68 CO 0.13 0.89 0.22 0.22 -3.45 0.00 0.00 179.45 177.46 2kbz h ASP 69 N 0.11 0.00 -0.20 4.20 3.58 -1.64 -2.02 116.42 120.46 2kbz h ASP 69 Ca -0.03 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.48 2kbz h ASP 69 Cb 1.39 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 2kbz h ASP 69 CO 0.12 0.00 0.25 -0.08 -2.88 0.00 0.00 179.24 176.65 2kbz h GLU 70 N 0.00 0.00 -0.41 0.28 4.22 -1.75 -3.26 114.58 113.66 2kbz h GLU 70 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.50 2kbz h GLU 70 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kbz h GLU 70 CO -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 179.01 176.83 2kbz n HIS 72 N -0.02 0.00 -3.10 0.00 8.25 -1.23 -4.77 115.22 114.35 2kbz n HIS 72 Ca 0.25 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.31 2kbz n HIS 72 Cb 1.04 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.10 2kbz n HIS 72 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2kbz s ASN 73 N 0.56 6.98 0.00 0.41 6.03 -1.26 -4.99 114.94 122.66 2kbz s ASN 73 Ca 0.00 1.17 0.27 0.00 -1.03 0.00 0.00 52.86 53.27 2kbz s ASN 73 Cb 0.00 -2.40 0.80 0.00 -3.03 0.00 0.00 41.25 36.62 2kbz s ASN 73 CO 0.00 -0.05 1.59 -0.81 -2.03 0.00 0.00 177.10 175.80 2kbz n PRO 74 N 3.46 1.10 -4.08 3.55 -0.04 -1.26 -4.31 135.00 133.42 2kbz n PRO 74 Ca -0.03 -0.67 -0.46 0.00 -0.04 0.00 0.00 63.50 62.30 2kbz n PRO 74 Cb 0.51 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.37 -1.31 -3.96 0.54 -1.74 -1.26 -4.89 117.46 104.47 2kbz n PHE 75 Ca 0.14 0.04 -0.30 0.00 -0.56 0.00 0.00 57.45 56.78 2kbz n PHE 75 Cb 0.36 -2.65 -0.04 0.00 1.52 0.00 0.00 39.48 38.67 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 -3.58 5.18 0.41 1.97 -1.09 -1.26 -0.60 121.20 122.23 2kbz s ILE 76 Ca 0.48 -0.55 0.08 0.00 -2.23 0.00 0.00 60.65 58.43 2kbz s ILE 76 Cb -0.27 -3.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.06 2kbz s ILE 76 CO 0.94 0.08 0.56 -1.81 -1.23 0.00 0.00 174.94 173.49 2kbz s ASP 77 N -2.66 5.69 0.10 3.58 1.01 0.43 -4.86 116.67 119.96 2kbz s ASP 77 Ca 0.34 -0.39 0.15 0.00 0.71 0.00 0.00 52.55 53.36 2kbz s ASP 77 Cb -0.12 -0.72 0.66 0.00 1.01 0.00 0.00 42.92 43.74 2kbz s ASP 77 CO 0.27 -0.73 1.47 1.17 0.21 0.00 0.00 175.17 177.55 2kbz n LYS 78 N -1.84 0.07 0.00 8.23 4.81 -1.26 -1.34 118.16 126.83 2kbz n LYS 78 Ca 0.07 0.38 0.10 0.00 -0.87 0.00 0.00 58.31 57.99 2kbz n LYS 78 Cb 0.59 -1.64 -0.05 0.00 0.02 0.00 0.00 35.03 33.95 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 -1.77 1.62 0.00 3.14 8.00 -1.26 -4.97 116.55 121.31 2kbz n ASP 79 Ca 0.02 -1.31 0.00 0.00 0.71 0.00 0.00 54.79 54.21 2kbz n ASP 79 Cb 0.14 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 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 1.44 0.45 3.92 0.44 0.00 -0.45 -5.09 105.19 105.91 2kbz n GLY 80 Ca 0.07 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.93 5.40 0.05 1.61 -0.87 -1.26 -4.79 114.94 112.15 2kbz s ASN 81 Ca 0.00 0.60 -0.24 0.00 -1.57 0.00 0.00 52.86 51.65 2kbz s ASN 81 Cb 0.00 -1.52 -0.06 0.00 -0.02 0.00 0.00 41.25 39.66 2kbz s ASN 81 CO 0.00 -1.18 0.74 -1.83 -2.57 0.00 0.00 177.10 172.26 2kbz s GLU 82 N -5.02 4.48 0.12 -0.60 -1.05 -1.26 -0.43 118.70 114.94 2kbz s GLU 82 Ca 0.55 1.03 0.09 0.00 -0.15 0.00 0.00 54.97 56.50 2kbz s GLU 82 Cb -0.11 -3.35 -0.04 0.00 -0.44 0.00 0.00 34.13 30.20 2kbz s GLU 82 CO 0.44 0.33 -0.19 0.45 0.95 0.00 0.00 175.26 177.24 2kbz s SER 83 N -0.20 3.79 -0.13 0.83 0.15 0.23 -4.86 113.70 113.50 2kbz s SER 83 Ca 0.37 -0.60 0.01 0.00 0.70 0.00 0.00 55.95 56.43 2kbz s SER 83 Cb -0.20 -0.49 0.02 0.00 -1.71 0.00 0.00 66.02 63.64 2kbz s SER 83 CO 0.23 0.17 -0.16 -0.63 1.20 0.00 0.00 173.24 174.05 2kbz s ILE 84 N -1.16 1.65 0.65 6.45 1.09 -1.26 -4.85 121.20 123.76 2kbz s ILE 84 Ca 0.18 -0.71 -0.13 0.00 -1.10 0.00 0.00 60.65 58.89 2kbz s ILE 84 Cb -0.10 -1.51 -0.01 0.00 -1.06 0.00 0.00 42.46 39.77 2kbz s ILE 84 CO 0.10 0.47 1.05 -2.16 -0.10 0.00 0.00 174.94 174.30 2kbz s PRO 85 N 1.18 3.15 0.20 2.79 0.04 -1.26 -4.82 135.00 136.27 2kbz s PRO 85 Ca -0.01 1.03 -0.16 0.00 0.04 0.00 0.00 61.00 61.90 2kbz s PRO 85 Cb -0.14 -2.02 0.19 0.00 0.04 0.00 0.00 34.50 32.57 2kbz s PRO 85 CO -0.06 -0.93 1.63 1.03 0.04 0.00 0.00 177.00 178.70 2kbz h SER 86 N -0.21 -0.66 -0.06 6.66 0.87 -2.01 0.04 113.55 118.18 2kbz h SER 86 Ca -0.45 0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.19 2kbz h SER 86 Cb 1.21 0.40 0.01 0.00 -0.44 0.00 0.00 62.40 63.57 2kbz h SER 86 CO 0.57 -0.22 -0.36 1.23 -0.53 0.00 0.00 176.83 177.52 2kbz h GLY 87 N -0.05 0.39 1.71 5.77 0.00 -1.96 -2.97 103.07 105.97 2kbz h GLY 87 Ca 0.27 -0.57 0.04 0.00 0.00 0.00 0.00 47.33 47.07 2kbz h GLY 87 CO -0.60 0.51 0.11 -2.08 0.00 0.00 0.00 176.54 174.47 2kbz h VAL 88 N -0.14 0.80 -0.20 4.60 2.07 -1.72 -1.67 116.25 119.99 2kbz h VAL 88 Ca -0.03 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 2kbz h VAL 88 Cb 1.03 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2kbz h VAL 88 CO 0.07 0.00 -0.22 0.25 0.02 0.00 0.00 177.57 177.69 2kbz h LEU 89 N 0.00 0.54 -1.56 2.57 6.46 -1.01 -1.99 115.31 120.32 2kbz h LEU 89 Ca 0.06 -0.49 0.03 0.00 -0.12 0.00 0.00 57.88 57.37 2kbz h LEU 89 Cb 0.28 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 2kbz h LEU 89 CO -0.00 0.92 0.34 0.16 -0.62 0.00 0.00 178.44 179.24 2kbz h ILE 90 N 0.18 1.05 -0.02 4.05 3.07 -1.14 -1.58 117.51 123.11 2kbz h ILE 90 Ca 0.03 -0.19 -0.00 0.00 1.55 0.00 0.00 64.86 66.24 2kbz h ILE 90 Cb 0.78 0.43 -0.00 0.00 -0.27 0.00 0.00 36.82 37.76 2kbz h ILE 90 CO 0.05 0.10 0.01 0.15 -1.05 0.00 0.00 178.15 177.42 2kbz h PHE 91 N 0.57 0.04 -0.05 0.16 3.57 -1.49 -2.18 116.94 117.56 2kbz h PHE 91 Ca 0.21 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.74 2kbz h PHE 91 Cb 0.12 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 2kbz h PHE 91 CO -0.00 0.22 -0.43 -0.39 -2.23 0.00 0.00 178.31 175.48 2kbz h VAL 92 N -0.15 0.14 0.10 1.41 -1.51 -0.50 0.38 116.25 116.13 2kbz h VAL 92 Ca 0.01 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.50 2kbz h VAL 92 Cb 0.20 0.14 -0.05 0.00 -2.13 0.00 0.00 31.29 29.45 2kbz h VAL 92 CO -0.00 0.00 -0.49 0.00 -1.23 0.00 0.00 177.57 175.85 2kbz h ALA 93 N -0.00 -0.90 -0.00 5.19 0.00 -1.62 -2.89 119.26 119.04 2kbz h ALA 93 Ca 0.06 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2kbz h ALA 93 Cb 0.65 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 2kbz h ALA 93 CO -0.35 -1.08 -0.76 1.57 0.00 0.00 0.00 179.25 178.64 2kbz h LYS 94 N -0.71 0.02 0.29 0.00 2.10 -1.27 -2.35 116.57 114.65 2kbz h LYS 94 Ca 0.01 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 2kbz h LYS 94 Cb 0.73 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2kbz h LYS 94 CO -0.29 0.77 -0.14 0.00 -2.00 0.00 0.00 179.45 177.79 2kbz h ALA 95 N 1.23 -0.39 0.00 0.07 0.00 -1.00 -2.37 119.26 116.79 2kbz h ALA 95 Ca -0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2kbz h ALA 95 Cb 1.34 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 2kbz h ALA 95 CO 0.10 -0.64 -0.83 0.00 0.00 0.00 0.00 179.25 177.89 2kbz h ALA 96 N 0.09 0.59 -0.17 0.00 0.00 -1.64 -2.58 119.26 115.55 2kbz h ALA 96 Ca -0.04 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 2kbz h ALA 96 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2kbz h ALA 96 CO 0.07 1.03 0.00 0.37 0.00 0.00 0.00 179.25 180.72 2kbz h GLN 97 N 0.00 0.25 0.24 0.00 4.15 -1.44 0.55 115.11 118.86 2kbz h GLN 97 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2kbz h GLN 97 Cb 1.50 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.15 2kbz h GLN 97 CO 0.11 0.27 -0.12 0.35 -1.93 0.00 0.00 178.83 177.51 2kbz h PHE 98 N 0.25 -0.30 -0.34 3.99 3.04 -1.34 -2.72 116.94 119.51 2kbz h PHE 98 Ca 0.06 -0.01 -0.16 0.00 3.98 0.00 0.00 57.97 61.84 2kbz h PHE 98 Cb 0.17 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 2kbz h PHE 98 CO 0.00 0.08 -0.41 -0.92 -2.02 0.00 0.00 178.31 175.04 2kbz h TYR 99 N -0.82 1.02 0.00 0.41 3.20 -1.38 -3.08 116.97 116.31 2kbz h TYR 99 Ca -0.03 -0.31 -0.19 0.00 3.14 0.00 0.00 58.73 61.34 2kbz h TYR 99 Cb 0.51 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 2kbz h TYR 99 CO 0.05 1.11 -1.06 1.98 -1.64 0.00 0.00 178.16 178.61 2kbz h MET 100 N 0.69 0.00 0.04 1.82 4.05 -1.05 -2.35 114.93 118.12 2kbz h MET 100 Ca 0.05 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2kbz h MET 100 Cb 0.99 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 2kbz h MET 100 CO 0.10 0.64 -0.02 1.15 0.23 0.00 0.00 176.91 179.01 2kbz h THR 101 N 0.00 1.38 -0.29 -0.77 2.02 -1.58 -3.30 112.91 110.36 2kbz h THR 101 Ca -0.08 -1.56 0.05 0.00 0.77 0.00 0.00 66.41 65.59 2kbz h THR 101 Cb 1.67 2.38 -0.16 0.00 -1.74 0.00 0.00 68.15 70.30 2kbz h THR 101 CO 0.09 0.38 -0.16 0.21 0.37 0.00 0.00 175.52 176.41 2kbz s ASN 102 N -5.82 -0.44 0.23 4.18 3.04 -1.17 -4.73 114.94 110.22 2kbz s ASN 102 Ca -0.16 -0.36 -0.08 0.00 0.04 0.00 0.00 52.86 52.29 2kbz s ASN 102 Cb -0.00 0.57 0.37 0.00 -1.54 0.00 0.00 41.25 40.65 2kbz s ASN 102 CO 0.62 -0.03 1.66 0.00 -3.04 0.00 0.00 177.10 176.31 2kbz h ALA 103 N 4.97 0.74 0.00 1.71 0.00 -1.40 -3.46 119.26 121.82 2kbz h ALA 103 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2kbz h ALA 103 Cb 1.20 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2kbz h ALA 103 CO -0.07 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.20 2kbz n GLY 104 N -1.37 -0.12 0.39 0.00 0.00 -1.26 -5.00 105.19 97.83 2kbz n GLY 104 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.72 0.00 -0.75 0.99 -0.00 -1.26 -4.93 117.00 109.32 2kbz n LEU 105 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.09 2kbz n LEU 105 Cb 0.00 -0.02 0.22 0.00 -0.00 0.00 0.00 43.42 43.62 2kbz n LEU 105 CO 0.00 -0.22 0.68 0.35 -0.00 0.00 0.00 177.39 178.20 2kbz n THR 106 N -1.68 1.98 -1.99 1.47 -2.24 -1.26 -4.99 114.28 105.58 2kbz n THR 106 Ca 0.00 -1.73 -0.25 0.00 -2.27 0.00 0.00 64.05 59.80 2kbz n THR 106 Cb 0.00 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 2kbz n THR 106 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kbz s GLY 107 N -1.82 0.00 0.00 3.38 0.00 -1.26 -3.78 107.32 103.85 2kbz s GLY 107 Ca 0.37 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.36 2kbz s GLY 107 CO 0.09 3.63 0.00 0.54 0.00 0.00 0.00 173.10 177.37 2kbz n ARG 108 N 8.56 0.00 -2.40 2.90 5.12 -1.25 -3.55 116.66 126.04 2kbz n ARG 108 Ca 0.43 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 56.10 2kbz n ARG 108 Cb 0.46 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.81 2kbz n ARG 108 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2kbz s SER 109 N 0.00 5.13 -0.67 0.55 0.01 -1.25 -5.04 113.70 112.43 2kbz s SER 109 Ca 0.00 0.36 -0.21 0.00 1.31 0.00 0.00 55.95 57.41 2kbz s SER 109 Cb 0.00 -1.17 0.09 0.00 0.21 0.00 0.00 66.02 65.15 2kbz s SER 109 CO 0.00 -1.33 0.89 -0.04 0.41 0.00 0.00 173.24 173.17 2kbz s MET 110 N -5.03 3.16 -0.27 12.44 -1.94 -1.26 -4.87 119.30 121.53 2kbz s MET 110 Ca 0.58 -1.16 0.12 0.00 -1.71 0.00 0.00 55.69 53.51 2kbz s MET 110 Cb -0.11 -4.33 0.60 0.00 2.01 0.00 0.00 34.83 33.00 2kbz s MET 110 CO 0.43 -1.70 1.58 -0.25 -0.01 0.00 0.00 175.02 175.06 2kbz n ASP 111 N 7.00 3.72 0.00 3.03 9.92 -1.26 -4.92 116.55 134.04 2kbz n ASP 111 Ca -0.02 -3.35 0.00 0.00 -0.53 0.00 0.00 54.79 50.89 2kbz n ASP 111 Cb 0.45 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 2kbz n ASP 111 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2kbz n THR 112 N -0.64 0.00 0.00 -3.53 5.66 -1.26 -5.08 114.28 109.42 2kbz n THR 112 Ca 0.33 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.33 2kbz n THR 112 Cb 1.13 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.91 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 3.33 0.00 -1.08 1.08 3.14 -1.26 -5.01 118.33 118.54 2kbz n VAL 113 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 2kbz n VAL 113 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 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 0.00 7.00 -3.62 6.55 2.88 -1.26 -4.93 113.62 120.24 2kbz n SER 114 Ca 0.00 -2.46 -0.34 0.00 -1.33 0.00 0.00 58.87 54.74 2kbz n SER 114 Cb 0.00 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.09 2kbz n SER 114 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2kbz n TYR 115 N 3.56 -2.14 1.01 0.66 4.01 -1.26 -5.03 117.16 117.96 2kbz n TYR 115 Ca 0.62 0.45 0.11 0.00 -0.16 0.00 0.00 57.90 58.93 2kbz n TYR 115 Cb 0.31 -1.47 0.09 0.00 -0.31 0.00 0.00 39.34 37.96 2kbz n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2kbz n ASN 116 N 2.06 0.77 -0.31 7.72 2.04 -1.26 -4.81 115.26 121.47 2kbz n ASN 116 Ca 0.08 -0.63 0.27 0.00 -0.44 0.00 0.00 54.58 53.86 2kbz n ASN 116 Cb 0.37 0.58 0.50 0.00 -2.53 0.00 0.00 39.78 38.70 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 -1.43 1.00 1.09 -2.53 3.72 -1.26 0.13 117.46 118.17 2kbz n PHE 117 Ca 0.05 1.13 0.14 0.00 -0.05 0.00 0.00 57.45 58.72 2kbz n PHE 117 Cb 0.34 -1.46 0.65 0.00 -0.94 0.00 0.00 39.48 38.07 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 -2.50 2.35 -1.79 4.37 0.00 -1.26 -3.76 120.51 117.91 2kbz n ALA 118 Ca 0.33 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.68 2kbz n ALA 118 Cb 1.11 -1.47 0.02 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.44 0.33 -1.45 0.00 5.66 0.12 -5.08 114.28 112.42 2kbz n THR 119 Ca 0.09 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 2kbz n THR 119 Cb 0.31 0.39 0.00 0.00 -1.55 0.00 0.00 70.33 69.48 2kbz n THR 119 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2kbz n GLU 120 N -0.25 0.00 -0.03 1.09 4.07 -0.62 -5.09 120.64 119.81 2kbz n GLU 120 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2kbz n GLU 120 Cb 0.68 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 32.06 2kbz n GLU 120 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2kbz n ILE 121 N 0.00 0.00 -2.84 6.31 2.08 -1.26 -4.81 119.36 118.83 2kbz n ILE 121 Ca 0.00 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.90 2kbz n ILE 121 Cb 0.00 -0.01 -0.04 0.00 -0.75 0.00 0.00 39.64 38.84 2kbz n ILE 121 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2kbz s PRO 122 N -0.23 4.43 0.54 0.38 0.04 -1.26 -4.95 135.00 133.95 2kbz s PRO 122 Ca 0.00 1.17 0.26 0.00 0.04 0.00 0.00 61.00 62.46 2kbz s PRO 122 Cb 0.00 -3.50 1.42 0.00 0.04 0.00 0.00 34.50 32.46 2kbz s PRO 122 CO 0.00 -0.14 2.00 0.77 0.04 0.00 0.00 177.00 179.67 2kbz h SER 123 N 6.98 0.00 0.48 6.66 0.02 -2.00 -3.03 113.55 122.65 2kbz h SER 123 Ca -0.36 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.29 2kbz h SER 123 Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2kbz h SER 123 CO 0.79 0.00 -1.52 0.00 -1.14 0.00 0.00 176.83 174.96 2kbz h THR 124 N 0.00 1.16 0.00 -2.27 1.03 -2.01 -3.35 112.91 107.47 2kbz h THR 124 Ca 0.23 -2.82 -0.08 0.00 -0.01 0.00 0.00 66.41 63.73 2kbz h THR 124 Cb 0.96 2.74 -0.01 0.00 -1.07 0.00 0.00 68.15 70.76 2kbz h THR 124 CO -0.00 0.81 -0.40 0.40 -0.01 0.00 0.00 175.52 176.32 2kbz h ILE 125 N 0.06 1.02 -0.54 0.00 1.08 -1.96 -3.26 117.51 113.91 2kbz h ILE 125 Ca -0.23 -1.51 0.16 0.00 -0.39 0.00 0.00 64.86 62.88 2kbz h ILE 125 Cb 2.00 1.88 -0.02 0.00 -3.07 0.00 0.00 36.82 37.61 2kbz h ILE 125 CO 0.15 0.39 0.48 0.25 -0.69 0.00 0.00 178.15 178.73 2kbz h LEU 126 N 0.00 0.00 -0.40 1.44 5.85 -1.68 0.20 115.31 120.73 2kbz h LEU 126 Ca -0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2kbz h LEU 126 Cb 0.85 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2kbz h LEU 126 CO 0.05 0.00 -0.66 0.50 -0.34 0.00 0.00 178.44 177.99 2kbz h LYS 127 N 0.00 0.00 0.00 1.25 3.64 -1.77 -3.13 116.57 116.56 2kbz h LYS 127 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2kbz h LYS 127 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2kbz h LYS 127 CO -0.00 0.66 0.00 1.63 -2.27 0.00 0.00 179.45 179.47 2kbz n LYS 128 N -3.47 0.21 0.28 1.90 4.76 0.66 -2.74 118.16 119.76 2kbz n LYS 128 Ca 0.00 0.30 0.15 0.00 -2.87 0.00 0.00 58.31 55.90 2kbz n LYS 128 Cb 0.72 -1.81 0.79 0.00 -1.84 0.00 0.00 35.03 32.89 2kbz n LYS 128 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2kbz h LEU 129 N 0.00 0.00 0.00 -0.35 7.12 -1.39 -3.38 115.31 117.31 2kbz h LEU 129 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2kbz h LEU 129 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 2kbz h LEU 129 CO 0.00 0.08 -1.54 0.59 -0.13 0.00 0.00 178.44 177.44 2kbz n ASN 130 N -3.40 0.38 0.00 1.25 3.02 -1.11 -4.59 115.26 110.81 2kbz n ASN 130 Ca -0.01 0.10 0.04 0.00 -0.03 0.00 0.00 54.58 54.67 2kbz n ASN 130 Cb 0.24 1.31 0.17 0.00 -0.61 0.00 0.00 39.78 40.89 2kbz n ASN 130 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2kbz n PRO 131 N -2.39 0.03 0.00 3.52 -0.02 -1.26 -2.45 135.00 132.43 2kbz n PRO 131 Ca -0.02 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2kbz n PRO 131 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 -1.44 0.00 0.00 6.00 9.36 -1.26 -4.90 117.16 124.91 2kbz n TYR 132 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 2kbz n TYR 132 Cb 0.08 -0.28 0.00 0.00 -0.63 0.00 0.00 39.34 38.51 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 -1.65 0.00 0.00 2.98 -4.01 -1.02 -0.48 116.66 112.48 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 -0.15 0.00 0.00 -3.04 0.00 0.00 32.46 29.27 2kbz n ARG 133 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 2kbz n LYS 134 N 0.00 0.00 0.00 2.89 4.76 -1.26 -4.72 118.16 119.83 2kbz n LYS 134 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2kbz n LYS 134 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2kbz n LYS 134 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 2kbz n MET 135 N -0.60 0.00 0.00 1.97 1.56 0.37 -2.23 117.12 118.20 2kbz n MET 135 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2kbz n MET 135 Cb 0.00 -0.06 0.00 0.00 2.15 0.00 0.00 33.22 35.31 2kbz n MET 135 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2kbz n ALA 136 N 0.00 0.00 0.80 -5.12 0.00 -1.26 -5.11 120.51 109.81 2kbz n ALA 136 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2kbz n ALA 136 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 2kbz n ALA 136 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39