#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjz h ILE 17 N 0.00 1.19 -0.71 -0.61 2.04 -2.05 -1.00 117.51 116.36 2jjz h ILE 17 Ca 0.00 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.49 2jjz h ILE 17 Cb 0.00 -0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 35.85 2jjz h ILE 17 CO 0.00 0.23 0.41 0.25 0.00 0.00 0.00 178.15 179.03 2jjz h LEU 18 N 1.26 0.61 -0.48 1.44 5.85 -2.05 -2.33 115.31 119.61 2jjz h LEU 18 Ca 0.38 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.96 2jjz h LEU 18 Cb -0.03 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2jjz h LEU 18 CO -0.11 0.39 -0.73 0.11 -0.34 0.00 0.00 178.44 177.76 2jjz h LYS 19 N 0.74 0.24 -0.21 1.25 1.79 -1.84 -0.58 116.57 117.96 2jjz h LYS 19 Ca 0.32 -0.20 -0.15 0.00 -2.18 0.00 0.00 60.65 58.43 2jjz h LYS 19 Cb 0.20 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2jjz h LYS 19 CO -0.19 0.86 -0.50 0.00 -1.08 0.00 0.00 179.45 178.55 2jjz h ALA 20 N 1.08 0.74 0.07 3.86 0.00 -0.99 -1.73 119.26 122.28 2jjz h ALA 20 Ca -0.02 -0.49 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 2jjz h ALA 20 Cb 1.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2jjz h ALA 20 CO 0.11 0.67 -1.21 0.00 0.00 0.00 0.00 179.25 178.83 2jjz h ARG 21 N 0.46 0.14 -0.76 0.00 3.08 -1.45 -2.67 114.38 113.18 2jjz h ARG 21 Ca 0.02 -0.25 0.13 0.00 0.07 0.00 0.00 59.98 59.95 2jjz h ARG 21 Cb 1.03 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 31.08 2jjz h ARG 21 CO 0.10 1.08 0.34 1.96 -1.07 0.00 0.00 179.97 182.37 2jjz h GLN 22 N 0.04 0.51 0.10 0.04 4.20 -1.02 -2.27 115.11 116.71 2jjz h GLN 22 Ca -0.11 -0.03 -0.27 0.00 0.06 0.00 0.00 58.65 58.30 2jjz h GLN 22 Cb 1.90 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.56 2jjz h GLN 22 CO 0.16 0.33 -1.26 1.05 -0.67 0.00 0.00 178.83 178.44 2jjz h GLU 23 N 0.52 0.22 -0.35 1.46 -0.00 -1.03 -2.15 114.58 113.25 2jjz h GLU 23 Ca 0.41 -0.37 -0.02 0.00 -0.00 0.00 0.00 59.36 59.38 2jjz h GLU 23 Cb 0.57 0.14 -0.02 0.00 -0.00 0.00 0.00 28.75 29.44 2jjz h GLU 23 CO -0.36 1.15 0.15 0.00 -0.00 0.00 0.00 179.01 179.95 2jjz h ARG 24 N 0.06 0.49 -0.53 1.06 2.47 -1.53 0.44 114.38 116.83 2jjz h ARG 24 Ca -0.14 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.47 2jjz h ARG 24 Cb 1.95 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 30.15 2jjz h ARG 24 CO 0.18 0.40 0.09 0.00 0.56 0.00 0.00 179.97 181.20 2jjz h ARG 25 N 0.49 0.84 -0.15 0.04 3.08 -1.04 -1.36 114.38 116.28 2jjz h ARG 25 Ca 0.12 -0.19 -0.20 0.00 0.07 0.00 0.00 59.98 59.78 2jjz h ARG 25 Cb 0.08 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.03 2jjz h ARG 25 CO -0.01 0.78 -0.70 -0.07 -1.07 0.00 0.00 179.97 178.89 2jjz h LEU 26 N 0.80 0.87 -0.94 3.04 3.38 -0.75 -2.93 115.31 118.78 2jjz h LEU 26 Ca 0.17 -0.63 0.13 0.00 0.09 0.00 0.00 57.88 57.64 2jjz h LEU 26 Cb 0.35 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 2jjz h LEU 26 CO 0.00 1.36 0.56 0.00 0.09 0.00 0.00 178.44 180.45 2jjz h ALA 27 N 0.53 1.42 -0.87 1.53 0.00 -0.04 0.48 119.26 122.32 2jjz h ALA 27 Ca -0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jjz h ALA 27 Cb 1.33 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2jjz h ALA 27 CO 0.15 0.12 0.54 0.93 0.00 0.00 0.00 179.25 180.98 2jjz h GLU 28 N 0.86 1.16 -0.10 0.00 4.39 -1.19 0.46 114.58 120.18 2jjz h GLU 28 Ca 0.48 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 60.03 2jjz h GLU 28 Cb 0.53 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2jjz h GLU 28 CO -0.29 0.80 -0.14 0.82 -1.16 0.00 0.00 179.01 179.04 2jjz h ILE 29 N 1.19 1.38 -0.49 3.13 2.04 -1.13 -2.07 117.51 121.57 2jjz h ILE 29 Ca 0.31 -1.37 0.09 0.00 1.00 0.00 0.00 64.86 64.89 2jjz h ILE 29 Cb -0.08 2.07 -0.08 0.00 -0.74 0.00 0.00 36.82 37.99 2jjz h ILE 29 CO -0.06 0.39 0.02 0.78 0.00 0.00 0.00 178.15 179.28 2jjz h ASN 30 N -0.17 -0.17 -0.36 1.72 2.35 -0.76 0.23 115.58 118.42 2jjz h ASN 30 Ca 0.01 0.11 0.05 0.00 -0.55 0.00 0.00 56.30 55.92 2jjz h ASN 30 Cb 0.70 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 2jjz h ASN 30 CO 0.03 -0.05 0.25 -0.09 -1.65 0.00 0.00 177.43 175.92 2jjz h ARG 31 N 0.13 0.26 -0.26 0.81 2.43 -0.78 0.15 114.38 117.13 2jjz h ARG 31 Ca 0.24 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.27 2jjz h ARG 31 Cb 0.36 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2jjz h ARG 31 CO -0.39 0.17 -0.35 1.49 -1.51 0.00 0.00 179.97 179.38 2jjz h GLU 32 N 0.27 0.69 -0.83 0.20 4.81 -0.46 -3.13 114.58 116.12 2jjz h GLU 32 Ca 0.16 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 2jjz h GLU 32 Cb 0.29 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 2jjz h GLU 32 CO -0.03 1.02 0.43 0.74 -0.73 0.00 0.00 179.01 180.44 2jjz h PHE 33 N 0.42 1.17 -0.02 0.92 0.04 0.09 -2.63 116.94 116.92 2jjz h PHE 33 Ca 0.03 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2jjz h PHE 33 Cb 0.93 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 38.71 2jjz h PHE 33 CO 0.08 0.83 0.21 -0.07 -0.60 0.00 0.00 178.31 178.76 2jjz h LEU 34 N 1.17 0.00 -1.72 1.54 3.38 -0.69 -1.85 115.31 117.13 2jjz h LEU 34 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2jjz h LEU 34 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2jjz h LEU 34 CO -0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.49 2jjz s ASP 36 N -0.74 6.89 0.51 0.00 -1.08 -0.70 -4.93 116.67 116.62 2jjz s ASP 36 Ca 0.11 1.05 0.21 0.00 -0.52 0.00 0.00 52.55 53.40 2jjz s ASP 36 Cb 0.07 -2.48 1.29 0.00 -1.46 0.00 0.00 42.92 40.34 2jjz s ASP 36 CO 0.10 -0.66 2.03 -0.61 0.52 0.00 0.00 175.17 176.55 2jjz h GLN 37 N 7.80 0.08 -0.89 4.34 -0.00 -1.92 -1.07 115.11 123.45 2jjz h GLN 37 Ca -0.22 -0.00 0.20 0.00 -0.00 0.00 0.00 58.65 58.63 2jjz h GLN 37 Cb 1.08 -0.02 -0.12 0.00 0.00 0.00 0.00 27.48 28.42 2jjz h GLN 37 CO 0.94 0.05 0.42 -0.22 0.00 0.00 0.00 178.83 180.03 2jjz h LYS 38 N 0.08 0.47 -0.59 1.69 3.64 -1.95 -2.20 116.57 117.72 2jjz h LYS 38 Ca 0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2jjz h LYS 38 Cb 0.67 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2jjz h LYS 38 CO -0.02 0.31 0.00 0.66 -2.27 0.00 0.00 179.45 178.13 2jjz n TYR 39 N -4.98 1.95 0.26 1.91 4.01 -0.41 -4.43 117.16 115.48 2jjz n TYR 39 Ca 0.21 -0.71 0.13 0.00 -0.16 0.00 0.00 57.90 57.37 2jjz n TYR 39 Cb 0.60 -0.46 0.72 0.00 -0.31 0.00 0.00 39.34 39.89 2jjz n TYR 39 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2jjz h SER 40 N 3.98 0.00 0.12 7.72 0.02 -1.38 -2.05 113.55 121.97 2jjz h SER 40 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2jjz h SER 40 Cb 1.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.42 2jjz h SER 40 CO 0.44 0.12 -0.06 0.44 -1.14 0.00 0.00 176.83 176.63 2jjz h ASP 41 N 0.00 -0.14 -1.65 3.07 5.19 -1.80 -3.47 116.42 117.61 2jjz h ASP 41 Ca -0.00 -0.29 -0.69 0.00 -0.62 0.00 0.00 57.03 55.43 2jjz h ASP 41 Cb 0.35 0.04 0.04 0.00 0.18 0.00 0.00 39.33 39.94 2jjz h ASP 41 CO 0.02 0.23 0.59 1.21 -3.12 0.00 0.00 179.24 178.16 2jjz n GLU 42 N -5.00 1.17 -3.32 3.56 4.07 -0.77 -4.96 120.64 115.39 2jjz n GLU 42 Ca -0.09 0.43 -0.33 0.00 -0.06 0.00 0.00 57.16 57.11 2jjz n GLU 42 Cb 0.22 -2.08 -0.06 0.00 -0.06 0.00 0.00 31.44 29.46 2jjz n GLU 42 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2jjz s GLU 43 N 1.37 3.91 -1.65 5.31 0.41 -1.26 -4.03 118.70 122.76 2jjz s GLU 43 Ca 0.88 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 55.89 2jjz s GLU 43 Cb -0.98 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 28.69 2jjz s GLU 43 CO 0.52 0.33 0.00 0.09 -0.49 0.00 0.00 175.26 175.71 2jjz n ASN 44 N 0.09 -5.48 0.06 -0.19 5.03 -1.26 -4.93 115.26 108.58 2jjz n ASN 44 Ca -0.00 0.01 -0.12 0.00 0.87 0.00 0.00 54.58 55.33 2jjz n ASN 44 Cb 0.52 -4.54 -0.07 0.00 -1.02 0.00 0.00 39.78 34.68 2jjz n ASN 44 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2jjz h LEU 45 N 0.00 -0.10 -0.92 3.41 5.85 -1.96 -0.40 115.31 121.19 2jjz h LEU 45 Ca -0.45 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.40 2jjz h LEU 45 Cb 1.33 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.31 2jjz h LEU 45 CO 0.54 -0.06 0.55 -0.65 -0.34 0.00 0.00 178.44 178.47 2jjz h PRO 46 N -0.09 0.83 -0.52 5.25 0.11 -1.93 -1.59 132.00 134.06 2jjz h PRO 46 Ca 0.00 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 2jjz h PRO 46 Cb 0.09 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 2jjz h PRO 46 CO -0.01 0.55 -0.00 0.93 -0.21 0.00 0.00 178.00 179.25 2jjz h GLU 47 N 0.86 0.93 -0.15 1.05 3.07 -1.86 -2.24 114.58 116.23 2jjz h GLU 47 Ca 0.46 -0.30 -0.04 0.00 -0.50 0.00 0.00 59.36 58.99 2jjz h GLU 47 Cb 0.49 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 2jjz h GLU 47 CO -0.28 0.95 -0.05 0.87 -1.40 0.00 0.00 179.01 179.11 2jjz h LYS 48 N 0.80 0.29 -0.96 2.33 1.57 -0.63 -2.25 116.57 117.73 2jjz h LYS 48 Ca 0.15 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2jjz h LYS 48 Cb 0.53 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 2jjz h LYS 48 CO 0.03 0.59 0.62 -0.07 -0.57 0.00 0.00 179.45 180.05 2jjz h LEU 49 N -0.02 0.99 -0.34 2.94 3.38 -1.34 0.25 115.31 121.17 2jjz h LEU 49 Ca 0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2jjz h LEU 49 Cb 0.49 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2jjz h LEU 49 CO 0.02 0.64 0.17 0.74 0.09 0.00 0.00 178.44 180.10 2jjz h THR 50 N 1.12 1.15 -0.67 0.22 2.02 -1.34 -1.23 112.91 114.17 2jjz h THR 50 Ca 0.41 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2jjz h THR 50 Cb 0.16 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2jjz h THR 50 CO -0.15 0.16 0.28 0.00 0.37 0.00 0.00 175.52 176.17 2jjz h ALA 51 N 1.03 0.87 -0.35 6.16 0.00 -0.96 -1.91 119.26 124.11 2jjz h ALA 51 Ca 0.12 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2jjz h ALA 51 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2jjz h ALA 51 CO -0.02 0.49 -0.17 0.74 0.00 0.00 0.00 179.25 180.29 2jjz h PHE 52 N 0.95 0.71 -0.19 0.00 0.04 -0.89 -1.72 116.94 115.83 2jjz h PHE 52 Ca 0.23 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2jjz h PHE 52 Cb 0.19 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2jjz h PHE 52 CO 0.01 0.77 0.06 -0.22 -0.60 0.00 0.00 178.31 178.33 2jjz h LYS 53 N 0.58 0.30 -0.78 1.51 3.64 -0.99 -0.43 116.57 120.39 2jjz h LYS 53 Ca 0.09 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2jjz h LYS 53 Cb 0.62 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 2jjz h LYS 53 CO 0.04 0.40 0.47 0.93 -2.27 0.00 0.00 179.45 179.02 2jjz h GLU 54 N 0.14 0.86 -0.01 1.90 5.08 -1.28 -0.34 114.58 120.93 2jjz h GLU 54 Ca 0.06 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2jjz h GLU 54 Cb 0.22 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2jjz h GLU 54 CO -0.00 0.57 0.00 0.87 -1.00 0.00 0.00 179.01 179.45 2jjz h LYS 55 N 0.89 0.01 -0.66 2.33 1.57 -1.24 -2.82 116.57 116.64 2jjz h LYS 55 Ca 0.33 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.15 2jjz h LYS 55 Cb 0.12 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 2jjz h LYS 55 CO -0.16 0.26 0.44 -0.92 -0.57 0.00 0.00 179.45 178.51 2jjz h TYR 56 N -0.24 0.75 0.00 -1.35 3.20 -0.91 -0.71 116.97 117.71 2jjz h TYR 56 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jjz h TYR 56 Cb 0.26 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2jjz h TYR 56 CO 0.01 0.43 0.00 0.52 -1.64 0.00 0.00 178.16 177.48 2jjz h MET 57 N 0.77 0.00 0.00 1.82 2.86 -0.89 -2.67 114.93 116.82 2jjz h MET 57 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2jjz h MET 57 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2jjz h MET 57 CO -0.08 0.00 0.00 0.93 1.06 0.00 0.00 176.91 178.82 2jjz h GLU 58 N 0.00 0.00 -7.07 1.72 5.08 -0.87 -3.45 114.58 109.99 2jjz h GLU 58 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 2jjz h GLU 58 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2jjz h GLU 58 CO 0.00 0.00 0.35 -0.06 -1.00 0.00 0.00 179.01 178.30 2jjz s PHE 59 N -3.36 3.27 -0.75 4.33 0.40 -1.01 -4.99 117.98 115.86 2jjz s PHE 59 Ca 0.05 1.60 -0.22 0.00 -0.60 0.00 0.00 56.93 57.76 2jjz s PHE 59 Cb 0.09 -2.88 0.07 0.00 0.51 0.00 0.00 43.02 40.82 2jjz s PHE 59 CO 0.51 -0.22 1.08 -0.51 0.70 0.00 0.00 175.22 176.77 2jjz s ASP 60 N -2.18 6.29 0.70 1.36 1.01 -1.26 -5.01 116.67 117.57 2jjz s ASP 60 Ca 0.63 -1.16 -0.11 0.00 0.71 0.00 0.00 52.55 52.62 2jjz s ASP 60 Cb -0.10 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.39 2jjz s ASP 60 CO 0.15 -1.43 1.06 -0.76 0.21 0.00 0.00 175.17 174.40 2jjz s LEU 61 N 4.11 3.12 0.00 1.23 1.43 -1.26 -4.18 118.68 123.13 2jjz s LEU 61 Ca 0.28 1.61 -0.06 0.00 -1.03 0.00 0.00 54.13 54.93 2jjz s LEU 61 Cb -0.12 -4.48 0.09 0.00 0.03 0.00 0.00 46.19 41.71 2jjz s LEU 61 CO 0.05 -1.46 0.52 -0.46 0.23 0.00 0.00 176.35 175.23 2jjz n ASN 62 N -3.14 0.07 0.34 2.29 0.23 0.26 -4.82 115.26 110.49 2jjz n ASN 62 Ca 0.07 -1.21 0.21 0.00 -0.53 0.00 0.00 54.58 53.12 2jjz n ASN 62 Cb 0.54 -0.40 1.10 0.00 -2.08 0.00 0.00 39.78 38.94 2jjz n ASN 62 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2jjz h ASN 63 N -0.67 0.00 -0.21 0.53 2.35 -1.97 0.90 115.58 116.51 2jjz h ASN 63 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2jjz h ASN 63 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2jjz h ASN 63 CO 0.12 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.28 2jjz n GLU 64 N -3.01 2.21 -1.12 0.81 4.71 -1.26 -4.95 120.64 118.03 2jjz n GLU 64 Ca -0.03 -1.80 -0.04 0.00 -0.01 0.00 0.00 57.16 55.28 2jjz n GLU 64 Cb 0.16 -1.47 -0.02 0.00 -1.01 0.00 0.00 31.44 29.10 2jjz n GLU 64 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jjz n GLY 65 N 1.35 0.70 3.56 0.62 0.00 0.31 -5.04 105.19 106.70 2jjz n GLY 65 Ca 0.17 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 2jjz n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jjz s GLU 66 N -2.34 2.00 -0.47 1.61 2.02 -1.26 -4.77 118.70 115.48 2jjz s GLU 66 Ca 0.00 -1.57 -0.26 0.00 0.02 0.00 0.00 54.97 53.16 2jjz s GLU 66 Cb 0.00 -1.98 0.03 0.00 0.10 0.00 0.00 34.13 32.28 2jjz s GLU 66 CO 0.00 0.35 0.98 0.42 0.02 0.00 0.00 175.26 177.03 2jjz s ILE 67 N -2.38 4.40 0.00 -1.63 1.01 -0.05 -0.57 121.20 121.98 2jjz s ILE 67 Ca 0.30 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.77 2jjz s ILE 67 Cb -0.06 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.93 2jjz s ILE 67 CO 0.17 -0.90 0.00 -0.90 0.00 0.00 0.00 174.94 173.31 2jjz n ASP 68 N 7.36 0.33 -0.25 3.58 5.68 -1.26 -0.41 116.55 131.59 2jjz n ASP 68 Ca 0.07 -0.65 -0.04 0.00 -0.50 0.00 0.00 54.79 53.68 2jjz n ASP 68 Cb 0.49 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.60 2jjz n ASP 68 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2jjz h LEU 69 N 0.00 0.98 -0.47 -2.12 4.07 -1.96 -1.13 115.31 114.68 2jjz h LEU 69 Ca 0.00 -0.12 -0.04 0.00 0.08 0.00 0.00 57.88 57.80 2jjz h LEU 69 Cb 0.00 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 2jjz h LEU 69 CO 0.00 0.85 0.15 -0.03 -1.08 0.00 0.00 178.44 178.33 2jjz h MET 70 N 1.07 0.72 -0.48 1.13 1.85 -1.95 0.93 114.93 118.20 2jjz h MET 70 Ca 0.25 -0.15 -0.05 0.00 -0.61 0.00 0.00 59.70 59.14 2jjz h MET 70 Cb 0.14 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 2jjz h MET 70 CO -0.03 0.68 0.10 0.77 -0.40 0.00 0.00 176.91 178.03 2jjz h SER 71 N 0.62 0.74 0.29 1.39 0.02 -1.62 -0.15 113.55 114.85 2jjz h SER 71 Ca 0.15 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2jjz h SER 71 Cb 0.25 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2jjz h SER 71 CO -0.01 0.80 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.27 2jjz h LEU 72 N 0.66 -0.33 -0.34 5.07 3.38 -1.07 -1.98 115.31 120.70 2jjz h LEU 72 Ca 0.15 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.08 2jjz h LEU 72 Cb 0.36 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2jjz h LEU 72 CO 0.01 -0.12 -0.53 0.50 0.09 0.00 0.00 178.44 178.39 2jjz h LYS 73 N -0.54 -0.42 -0.84 1.13 3.64 -0.58 -0.01 116.57 118.95 2jjz h LYS 73 Ca -0.04 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.47 2jjz h LYS 73 Cb 0.40 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.24 2jjz h LYS 73 CO 0.07 -0.28 0.48 0.00 -2.27 0.00 0.00 179.45 177.44 2jjz h ARG 74 N -0.43 0.75 -0.14 1.90 3.08 -0.99 -1.99 114.38 116.55 2jjz h ARG 74 Ca 0.07 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2jjz h ARG 74 Cb 0.62 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2jjz h ARG 74 CO -0.55 0.50 0.05 1.98 -1.07 0.00 0.00 179.97 180.87 2jjz h MET 75 N 0.77 0.22 -0.71 0.04 4.05 -0.39 -1.23 114.93 117.69 2jjz h MET 75 Ca 0.42 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.84 2jjz h MET 75 Cb 0.43 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.16 2jjz h MET 75 CO -0.27 0.34 0.47 0.52 0.23 0.00 0.00 176.91 178.19 2jjz h MET 76 N 0.05 0.76 -0.32 0.39 2.86 -0.80 -0.95 114.93 116.94 2jjz h MET 76 Ca 0.05 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 2jjz h MET 76 Cb 0.21 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2jjz h MET 76 CO -0.00 0.51 -0.50 0.93 1.06 0.00 0.00 176.91 178.90 2jjz h GLU 77 N 0.79 0.89 -0.40 1.72 5.08 -1.26 0.28 114.58 121.68 2jjz h GLU 77 Ca 0.29 -0.54 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 2jjz h GLU 77 Cb 0.17 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2jjz h GLU 77 CO -0.09 1.18 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.76 2jjz h LYS 78 N 0.70 0.72 -0.00 2.33 3.64 -0.93 -3.05 116.57 119.98 2jjz h LYS 78 Ca 0.03 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2jjz h LYS 78 Cb 1.11 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2jjz h LYS 78 CO 0.11 0.82 -0.07 1.28 -2.27 0.00 0.00 179.45 179.33 2jjz n LEU 79 N -4.17 0.13 -0.40 5.20 4.77 -0.39 -4.94 117.00 117.20 2jjz n LEU 79 Ca 0.01 0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 56.24 2jjz n LEU 79 Cb 0.36 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2jjz n LEU 79 CO 0.43 0.03 -0.05 0.61 -1.33 0.00 0.00 177.39 177.07 2jjz n GLY 80 N 1.39 0.79 3.44 -0.72 0.00 -0.72 -5.03 105.19 104.34 2jjz n GLY 80 Ca 0.11 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 2jjz n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jjz s VAL 81 N -2.19 4.46 -0.18 1.61 1.01 0.92 -5.01 120.40 121.01 2jjz s VAL 81 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 2jjz s VAL 81 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 2jjz s VAL 81 CO 0.00 0.21 1.17 -2.84 0.00 0.00 0.00 175.10 173.64 2jjz s PRO 82 N 1.61 4.25 -0.02 2.72 0.02 -1.26 -4.32 135.00 138.00 2jjz s PRO 82 Ca 0.05 1.54 0.08 0.00 0.02 0.00 0.00 61.00 62.69 2jjz s PRO 82 Cb -0.16 -3.70 -0.02 0.00 0.02 0.00 0.00 34.50 30.64 2jjz s PRO 82 CO 0.05 -0.66 -0.25 0.15 -0.33 0.00 0.00 177.00 175.97 2jjz s LYS 83 N 3.30 2.00 0.58 5.54 -0.14 -1.26 -5.12 119.74 124.64 2jjz s LYS 83 Ca 0.50 -0.88 -0.13 0.00 -1.36 0.00 0.00 55.97 54.10 2jjz s LYS 83 Cb -0.19 -1.93 -0.05 0.00 -1.68 0.00 0.00 37.83 33.98 2jjz s LYS 83 CO 0.12 0.53 1.02 0.95 -0.76 0.00 0.00 175.35 177.20 2jjz s THR 84 N -0.58 4.61 0.12 2.17 -4.23 -1.26 -4.88 115.64 111.59 2jjz s THR 84 Ca 0.09 1.00 -0.22 0.00 -1.18 0.00 0.00 61.69 61.38 2jjz s THR 84 Cb -0.09 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.90 2jjz s THR 84 CO -0.01 -0.96 1.16 1.57 -0.54 0.00 0.00 174.62 175.84 2jjz n HIS 85 N -2.32 -0.32 -0.29 3.99 -0.00 -1.26 -1.49 115.22 113.54 2jjz n HIS 85 Ca 0.06 0.90 -0.05 0.00 -0.00 0.00 0.00 57.72 58.63 2jjz n HIS 85 Cb 0.54 -0.55 0.07 0.00 -0.00 0.00 0.00 29.99 30.04 2jjz n HIS 85 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2jjz h LEU 86 N 0.00 1.03 -1.12 0.27 5.85 -1.99 -0.81 115.31 118.54 2jjz h LEU 86 Ca 0.12 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2jjz h LEU 86 Cb 0.30 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2jjz h LEU 86 CO -0.68 0.88 0.60 -0.33 -0.34 0.00 0.00 178.44 178.57 2jjz h GLU 87 N 1.12 1.18 -0.16 1.25 5.08 -1.68 0.12 114.58 121.47 2jjz h GLU 87 Ca 0.27 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2jjz h GLU 87 Cb 0.12 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2jjz h GLU 87 CO -0.03 0.78 -0.07 0.52 -1.00 0.00 0.00 179.01 179.20 2jjz h MET 88 N 1.21 0.34 -0.67 2.33 2.86 -0.62 -0.30 114.93 120.08 2jjz h MET 88 Ca 0.33 -0.14 0.14 0.00 -2.06 0.00 0.00 59.70 57.97 2jjz h MET 88 Cb -0.13 -0.01 -0.12 0.00 0.06 0.00 0.00 31.60 31.40 2jjz h MET 88 CO -0.08 0.64 -0.06 -0.22 1.06 0.00 0.00 176.91 178.26 2jjz h LYS 89 N 0.01 0.07 -0.11 1.72 3.64 -0.68 -1.75 116.57 119.47 2jjz h LYS 89 Ca 0.04 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 2jjz h LYS 89 Cb 0.54 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2jjz h LYS 89 CO 0.02 0.04 -0.51 0.87 -2.27 0.00 0.00 179.45 177.61 2jjz h LYS 90 N 0.07 0.29 -0.74 1.90 1.57 -0.51 -1.99 116.57 117.16 2jjz h LYS 90 Ca 0.35 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2jjz h LYS 90 Cb 0.57 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 2jjz h LYS 90 CO -0.62 0.73 0.39 0.52 -0.57 0.00 0.00 179.45 179.89 2jjz h MET 91 N 0.23 1.03 -0.01 3.15 2.86 -0.19 -1.36 114.93 120.64 2jjz h MET 91 Ca 0.01 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 2jjz h MET 91 Cb 0.97 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2jjz h MET 91 CO 0.08 0.77 -0.14 0.82 1.06 0.00 0.00 176.91 179.51 2jjz h ILE 92 N 1.04 1.54 -0.16 -1.22 2.04 -1.26 -3.19 117.51 116.29 2jjz h ILE 92 Ca 0.26 -1.77 -0.07 0.00 1.00 0.00 0.00 64.86 64.28 2jjz h ILE 92 Cb 0.05 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2jjz h ILE 92 CO -0.04 0.48 -0.21 0.77 0.00 0.00 0.00 178.15 179.14 2jjz h SER 93 N -0.54 0.27 -0.92 1.72 4.64 -1.25 -1.40 113.55 116.07 2jjz h SER 93 Ca -0.01 -0.07 0.10 0.00 -0.47 0.00 0.00 61.79 61.33 2jjz h SER 93 Cb 0.85 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.80 2jjz h SER 93 CO 0.03 0.50 0.59 -0.08 -0.87 0.00 0.00 176.83 177.00 2jjz h GLU 94 N 0.26 0.89 0.00 4.77 4.81 -1.36 0.29 114.58 124.24 2jjz h GLU 94 Ca 0.04 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2jjz h GLU 94 Cb 0.53 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2jjz h GLU 94 CO 0.04 0.59 -0.92 0.28 -0.73 0.00 0.00 179.01 178.27 2jjz h VAL 95 N 0.92 0.50 -0.34 0.32 2.07 -1.38 -3.32 116.25 115.01 2jjz h VAL 95 Ca 0.43 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2jjz h VAL 95 Cb 0.41 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2jjz h VAL 95 CO -0.19 0.29 0.00 0.35 0.02 0.00 0.00 177.57 178.04 2jjz n THR 96 N -2.99 0.52 -1.36 2.57 -2.24 -0.59 -4.89 114.28 105.31 2jjz n THR 96 Ca -0.03 -0.76 -0.14 0.00 -2.27 0.00 0.00 64.05 60.85 2jjz n THR 96 Cb 0.73 0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 69.84 2jjz n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jjz n GLY 97 N 1.24 1.30 1.49 3.38 0.00 0.66 -2.36 105.19 110.90 2jjz n GLY 97 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2jjz n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jjz n GLY 98 N -0.13 0.60 0.01 -0.02 0.00 0.70 -4.95 105.19 101.41 2jjz n GLY 98 Ca -0.14 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.76 2jjz n GLY 98 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jjz n VAL 99 N -2.74 0.05 -3.97 1.61 0.24 -1.00 -4.92 118.33 107.61 2jjz n VAL 99 Ca 0.00 -0.16 -0.09 0.00 -2.04 0.00 0.00 64.34 62.05 2jjz n VAL 99 Cb 0.00 0.51 -0.11 0.00 -1.47 0.00 0.00 33.84 32.77 2jjz n VAL 99 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2jjz s SER 100 N -3.55 0.22 0.00 -1.34 0.15 -1.26 -5.05 113.70 102.87 2jjz s SER 100 Ca 0.04 -0.48 0.13 0.00 0.70 0.00 0.00 55.95 56.34 2jjz s SER 100 Cb 0.15 0.12 0.36 0.00 -1.71 0.00 0.00 66.02 64.94 2jjz s SER 100 CO 0.84 -0.32 1.30 -0.90 1.20 0.00 0.00 173.24 175.36 2jjz n ASP 101 N 1.53 2.11 -4.10 5.45 5.68 -1.26 -4.68 116.55 121.29 2jjz n ASP 101 Ca -0.24 -1.99 -0.13 0.00 -0.50 0.00 0.00 54.79 51.93 2jjz n ASP 101 Cb 0.55 -0.26 -0.11 0.00 -1.14 0.00 0.00 41.12 40.16 2jjz n ASP 101 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2jjz s THR 102 N -1.48 0.65 -0.33 2.12 -4.23 -1.26 -4.63 115.64 106.48 2jjz s THR 102 Ca 0.27 -1.27 -0.16 0.00 -1.18 0.00 0.00 61.69 59.34 2jjz s THR 102 Cb 0.14 -0.87 -0.02 0.00 1.34 0.00 0.00 72.50 73.09 2jjz s THR 102 CO 0.18 -0.45 0.42 -0.63 -0.54 0.00 0.00 174.62 173.60 2jjz s ILE 103 N -1.79 5.11 0.69 2.99 1.01 0.45 -4.91 121.20 124.76 2jjz s ILE 103 Ca -0.05 0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.80 2jjz s ILE 103 Cb -0.07 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.58 2jjz s ILE 103 CO -0.00 -0.07 1.05 -0.94 0.00 0.00 0.00 174.94 174.97 2jjz s SER 104 N 1.71 5.25 0.22 3.58 1.04 -1.26 -0.87 113.70 123.38 2jjz s SER 104 Ca 0.15 0.87 -0.06 0.00 0.48 0.00 0.00 55.95 57.40 2jjz s SER 104 Cb -0.16 -1.66 0.20 0.00 0.10 0.00 0.00 66.02 64.51 2jjz s SER 104 CO 0.12 -1.39 1.71 0.22 0.98 0.00 0.00 173.24 174.88 2jjz h TYR 105 N -0.58 1.03 -0.13 5.02 3.20 -1.98 0.16 116.97 123.69 2jjz h TYR 105 Ca -0.45 -0.15 0.03 0.00 3.14 0.00 0.00 58.73 61.30 2jjz h TYR 105 Cb 1.27 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 2jjz h TYR 105 CO 0.44 0.90 -0.06 0.00 -1.64 0.00 0.00 178.16 177.81 2jjz h ARG 106 N 0.89 -0.04 -0.67 1.82 3.08 -1.99 0.35 114.38 117.81 2jjz h ARG 106 Ca 0.17 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.26 2jjz h ARG 106 Cb 0.47 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 2jjz h ARG 106 CO 0.02 -0.03 0.41 -0.44 -1.07 0.00 0.00 179.97 178.86 2jjz h ASP 107 N -0.05 0.67 -0.43 7.04 3.32 -1.84 0.55 116.42 125.69 2jjz h ASP 107 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2jjz h ASP 107 Cb 0.15 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2jjz h ASP 107 CO -0.16 0.46 0.28 0.15 -1.72 0.00 0.00 179.24 178.25 2jjz h PHE 108 N 0.80 0.54 -0.05 4.55 3.57 -0.06 0.73 116.94 127.03 2jjz h PHE 108 Ca 0.28 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2jjz h PHE 108 Cb 0.04 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 2jjz h PHE 108 CO -0.05 0.35 -0.00 0.28 -2.23 0.00 0.00 178.31 176.66 2jjz h VAL 109 N 0.58 1.25 -0.56 1.41 2.07 0.08 -0.89 116.25 120.19 2jjz h VAL 109 Ca 0.16 -0.77 0.05 0.00 0.82 0.00 0.00 66.70 66.95 2jjz h VAL 109 Cb -0.06 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2jjz h VAL 109 CO -0.03 0.21 0.37 0.78 0.02 0.00 0.00 177.57 178.92 2jjz h ASN 110 N -0.22 0.50 0.05 0.57 2.35 -0.81 0.49 115.58 118.51 2jjz h ASN 110 Ca 0.01 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2jjz h ASN 110 Cb 0.34 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 2jjz h ASN 110 CO 0.00 0.33 -0.10 -0.03 -1.65 0.00 0.00 177.43 175.98 2jjz h MET 111 N 0.57 -0.19 -0.19 0.81 4.05 -0.63 0.14 114.93 119.49 2jjz h MET 111 Ca 0.24 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.60 2jjz h MET 111 Cb 0.22 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 2jjz h MET 111 CO -0.07 -0.13 -0.18 0.52 0.23 0.00 0.00 176.91 177.29 2jjz h MET 112 N -0.20 0.32 0.10 0.39 2.86 0.39 -3.11 114.93 115.68 2jjz h MET 112 Ca 0.02 -0.09 -0.32 0.00 -2.06 0.00 0.00 59.70 57.25 2jjz h MET 112 Cb 0.22 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2jjz h MET 112 CO -0.07 0.50 -1.71 -0.07 1.06 0.00 0.00 176.91 176.62 2jjz h LEU 113 N 0.30 0.31-10.01 1.22 3.38 -0.98 -3.48 115.31 106.05 2jjz h LEU 113 Ca 0.05 -0.55 -0.54 0.00 0.09 0.00 0.00 57.88 56.93 2jjz h LEU 113 Cb 0.49 -0.10 0.19 0.00 0.09 0.00 0.00 40.66 41.33 2jjz h LEU 113 CO 0.03 1.48 0.00 0.61 0.09 0.00 0.00 178.44 180.66 2jjz n GLY 114 N 1.74 -0.72 0.12 0.83 0.00 0.48 -4.94 105.19 102.70 2jjz n GLY 114 Ca -0.21 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.40 2jjz n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jjz h LYS 115 N -0.96 0.00 -6.91 1.61 1.57 -1.87 -3.46 116.57 106.55 2jjz h LYS 115 Ca -0.45 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.78 2jjz h LYS 115 Cb 1.31 0.00 0.11 0.00 0.08 0.00 0.00 32.23 33.72 2jjz h LYS 115 CO 0.43 0.00 0.76 0.54 -0.57 0.00 0.00 179.45 180.61 2jjz n ARG 116 N -2.62 2.64 -3.03 3.15 1.74 -1.26 -5.00 116.66 112.28 2jjz n ARG 116 Ca 0.01 0.93 -0.31 0.00 -0.77 0.00 0.00 57.85 57.70 2jjz n ARG 116 Cb 0.53 -2.65 -0.05 0.00 -1.02 0.00 0.00 32.46 29.27 2jjz n ARG 116 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jjz s SER 117 N -0.09 6.64 -0.13 0.55 0.15 -1.26 -5.01 113.70 114.54 2jjz s SER 117 Ca 0.54 1.18 -0.12 0.00 0.70 0.00 0.00 55.95 58.25 2jjz s SER 117 Cb -0.48 -2.34 0.03 0.00 -1.71 0.00 0.00 66.02 61.53 2jjz s SER 117 CO 0.63 -0.29 0.35 0.00 1.20 0.00 0.00 173.24 175.13 2jjz s ALA 118 N -2.16 -0.86 0.18 5.45 0.00 -1.26 -5.04 121.76 118.07 2jjz s ALA 118 Ca 0.52 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 53.34 2jjz s ALA 118 Cb -0.10 -0.58 0.17 0.00 0.00 0.00 0.00 23.12 22.61 2jjz s ALA 118 CO 0.24 -0.17 1.71 0.28 0.00 0.00 0.00 175.76 177.83 2jjz h VAL 119 N 4.62 0.73 -0.67 0.00 2.07 -1.97 0.01 116.25 121.04 2jjz h VAL 119 Ca -0.27 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2jjz h VAL 119 Cb 1.19 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2jjz h VAL 119 CO 0.29 0.04 0.45 0.25 0.02 0.00 0.00 177.57 178.61 2jjz h LEU 120 N 0.21 0.76 -0.33 2.57 5.85 -1.97 0.25 115.31 122.64 2jjz h LEU 120 Ca 0.23 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 2jjz h LEU 120 Cb 0.31 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2jjz h LEU 120 CO -0.31 0.54 0.04 0.50 -0.34 0.00 0.00 178.44 178.86 2jjz h LYS 121 N 0.89 0.56 0.00 1.25 3.64 -1.48 -1.49 116.57 119.94 2jjz h LYS 121 Ca 0.25 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2jjz h LYS 121 Cb -0.07 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2jjz h LYS 121 CO -0.06 0.66 -0.16 1.25 -2.27 0.00 0.00 179.45 178.87 2jjz h LEU 122 N 0.38 0.00 0.06 5.20 5.85 -0.75 -3.04 115.31 123.00 2jjz h LEU 122 Ca 0.10 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.53 2jjz h LEU 122 Cb 0.38 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.44 2jjz h LEU 122 CO 0.01 0.16 -1.15 0.58 -0.34 0.00 0.00 178.44 177.71 2jjz h VAL 123 N 0.00 1.28 -0.26 1.05 2.07 -0.22 -3.29 116.25 116.89 2jjz h VAL 123 Ca -0.00 -2.35 0.04 0.00 0.82 0.00 0.00 66.70 65.21 2jjz h VAL 123 Cb 0.70 2.53 -0.07 0.00 -1.52 0.00 0.00 31.29 32.93 2jjz h VAL 123 CO 0.02 0.72 -0.54 0.24 0.02 0.00 0.00 177.57 178.03 2jjz h MET 124 N 0.34 -0.48 -0.02 1.57 2.86 -1.16 -3.51 114.93 114.53 2jjz h MET 124 Ca -0.16 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2jjz h MET 124 Cb 1.81 0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.58 2jjz h MET 124 CO 0.22 -0.32 0.00 -0.12 1.06 0.00 0.00 176.91 177.75