#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjz n ARG 21 N 0.00 0.01 -0.04 0.00 1.85 -1.26 -1.48 116.66 115.74 2jjz n ARG 21 Ca 0.00 0.11 0.09 0.00 -1.00 0.00 0.00 57.85 57.05 2jjz n ARG 21 Cb 0.00 -1.50 0.48 0.00 -1.05 0.00 0.00 32.46 30.39 2jjz n ARG 21 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 2jjz h GLN 22 N 0.00 0.43 -0.35 2.89 5.75 -2.04 -2.77 115.11 119.02 2jjz h GLN 22 Ca 0.00 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 2jjz h GLN 22 Cb 0.38 -0.10 -0.09 0.00 1.07 0.00 0.00 27.48 28.74 2jjz h GLN 22 CO 0.00 0.29 -0.41 0.93 -2.65 0.00 0.00 178.83 176.99 2jjz h GLU 23 N 0.44 -0.33 -0.55 1.69 4.39 -1.69 -1.29 114.58 117.24 2jjz h GLU 23 Ca 0.22 0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.03 2jjz h GLU 23 Cb 0.30 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.95 2jjz h GLU 23 CO -0.06 -0.22 0.14 0.00 -1.16 0.00 0.00 179.01 177.71 2jjz h ARG 24 N -0.35 0.28 -0.05 2.33 -0.00 -1.67 0.35 114.38 115.27 2jjz h ARG 24 Ca 0.13 -0.02 -0.17 0.00 -0.50 0.00 0.00 59.98 59.43 2jjz h ARG 24 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.48 2jjz h ARG 24 CO -0.53 0.19 -0.71 -0.09 0.00 0.00 0.00 179.97 178.83 2jjz h ARG 25 N 0.29 0.27 -0.00 0.04 2.43 -1.59 -0.78 114.38 115.04 2jjz h ARG 25 Ca 0.28 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2jjz h ARG 25 Cb 0.37 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2jjz h ARG 25 CO -0.33 0.87 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.92 2jjz h LEU 26 N 0.18 0.00 -0.88 3.80 3.38 -0.58 -1.34 115.31 119.88 2jjz h LEU 26 Ca -0.02 -0.35 0.16 0.00 0.09 0.00 0.00 57.88 57.76 2jjz h LEU 26 Cb 1.26 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.91 2jjz h LEU 26 CO 0.11 0.36 0.46 0.00 0.09 0.00 0.00 178.44 179.46 2jjz h ALA 27 N 0.65 1.36 -0.39 1.53 0.00 -0.37 0.34 119.26 122.38 2jjz h ALA 27 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2jjz h ALA 27 Cb 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jjz h ALA 27 CO 0.00 -0.11 0.23 1.49 0.00 0.00 0.00 179.25 180.85 2jjz h GLU 28 N 0.62 0.54 -0.75 0.00 4.57 -0.98 -1.31 114.58 117.27 2jjz h GLU 28 Ca 0.49 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.60 2jjz h GLU 28 Cb 0.74 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 2jjz h GLU 28 CO -0.39 0.42 0.42 0.82 -1.18 0.00 0.00 179.01 179.11 2jjz h ILE 29 N 0.51 1.22 -0.32 2.32 2.04 -0.41 -2.20 117.51 120.68 2jjz h ILE 29 Ca 0.14 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.49 2jjz h ILE 29 Cb 0.03 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 2jjz h ILE 29 CO -0.02 0.25 0.09 0.78 0.00 0.00 0.00 178.15 179.25 2jjz h ASN 30 N 1.04 0.08 -0.77 1.72 2.35 -0.63 -1.56 115.58 117.81 2jjz h ASN 30 Ca 0.27 0.04 0.10 0.00 -0.55 0.00 0.00 56.30 56.16 2jjz h ASN 30 Cb 0.02 0.04 -0.08 0.00 0.05 0.00 0.00 38.32 38.35 2jjz h ASN 30 CO -0.04 0.08 0.41 -0.09 -1.65 0.00 0.00 177.43 176.13 2jjz h ARG 31 N 0.23 0.64 -0.08 0.81 9.65 -0.79 -1.52 114.38 123.32 2jjz h ARG 31 Ca 0.15 -0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.86 2jjz h ARG 31 Cb 0.13 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 2jjz h ARG 31 CO -0.17 0.43 -0.54 1.05 2.80 0.00 0.00 179.97 183.54 2jjz h GLU 32 N 0.66 0.23 -0.30 0.20 4.11 -0.72 -1.31 114.58 117.44 2jjz h GLU 32 Ca 0.39 -0.14 0.01 0.00 0.07 0.00 0.00 59.36 59.69 2jjz h GLU 32 Cb 0.42 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2jjz h GLU 32 CO -0.28 0.71 0.19 0.74 0.07 0.00 0.00 179.01 180.43 2jjz h PHE 33 N 0.18 0.35 -0.99 2.06 0.04 -1.00 -2.00 116.94 115.57 2jjz h PHE 33 Ca 0.00 0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.88 2jjz h PHE 33 Cb 1.01 -0.12 -0.08 0.00 2.20 0.00 0.00 35.95 38.96 2jjz h PHE 33 CO 0.02 0.22 0.63 1.25 -0.60 0.00 0.00 178.31 179.83 2jjz h LEU 34 N 0.38 0.96 -2.42 1.54 5.85 -0.84 -2.90 115.31 117.89 2jjz h LEU 34 Ca 0.11 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2jjz h LEU 34 Cb -0.03 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2jjz h LEU 34 CO -0.04 0.56 0.00 0.00 -0.34 0.00 0.00 178.44 178.62 2jjz s ASP 36 N -1.40 6.82 0.55 0.00 -1.08 -0.78 -4.93 116.67 115.84 2jjz s ASP 36 Ca 0.41 0.95 0.43 0.00 -0.52 0.00 0.00 52.55 53.83 2jjz s ASP 36 Cb 0.24 -2.45 1.64 0.00 -1.46 0.00 0.00 42.92 40.89 2jjz s ASP 36 CO 0.32 -0.61 1.68 -0.61 0.52 0.00 0.00 175.17 176.47 2jjz h GLN 37 N 7.85 0.01 0.00 4.34 5.75 -1.89 -1.42 115.11 129.75 2jjz h GLN 37 Ca -0.23 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.27 2jjz h GLN 37 Cb 1.09 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.63 2jjz h GLN 37 CO 0.91 0.01 -0.03 -0.22 -2.65 0.00 0.00 178.83 176.84 2jjz h LYS 38 N 0.01 0.00 -0.29 1.69 3.64 -1.92 -2.47 116.57 117.23 2jjz h LYS 38 Ca 0.77 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.15 2jjz h LYS 38 Cb 3.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.87 2jjz h LYS 38 CO -0.03 0.03 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 2jjz n TYR 39 N -4.07 0.79 0.31 1.91 4.01 -0.53 -4.68 117.16 114.89 2jjz n TYR 39 Ca -0.03 -0.75 0.17 0.00 -0.16 0.00 0.00 57.90 57.13 2jjz n TYR 39 Cb 0.11 -0.22 0.75 0.00 -0.31 0.00 0.00 39.34 39.68 2jjz n TYR 39 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2jjz h SER 40 N 1.89 0.00 -0.01 7.72 4.64 -1.52 -0.15 113.55 126.12 2jjz h SER 40 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jjz h SER 40 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2jjz h SER 40 CO 0.15 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.21 2jjz n ASP 41 N -2.88 0.20 -4.65 4.97 5.75 -1.26 -4.86 116.55 113.81 2jjz n ASP 41 Ca 0.00 -1.13 -0.41 0.00 -0.01 0.00 0.00 54.79 53.24 2jjz n ASP 41 Cb 0.23 -0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.27 2jjz n ASP 41 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2jjz s GLU 42 N -2.00 4.22 0.33 0.11 0.41 -0.07 -5.06 118.70 116.65 2jjz s GLU 42 Ca 0.44 0.94 -0.22 0.00 -0.41 0.00 0.00 54.97 55.71 2jjz s GLU 42 Cb 0.20 -3.62 -0.10 0.00 -1.78 0.00 0.00 34.13 28.84 2jjz s GLU 42 CO 0.34 -0.43 0.88 -2.00 -0.49 0.00 0.00 175.26 173.56 2jjz s GLU 43 N 2.53 4.35 -1.62 1.61 2.56 -1.26 -4.10 118.70 122.77 2jjz s GLU 43 Ca 0.35 1.10 -0.15 0.00 0.00 0.00 0.00 54.97 56.27 2jjz s GLU 43 Cb -0.16 -2.59 0.12 0.00 2.00 0.00 0.00 34.13 33.50 2jjz s GLU 43 CO 0.09 0.20 0.82 0.09 -0.56 0.00 0.00 175.26 175.90 2jjz n ASN 44 N 0.14 -3.51 -0.08 -1.70 3.02 -1.26 -4.87 115.26 107.00 2jjz n ASN 44 Ca 0.03 -0.93 -0.10 0.00 -0.03 0.00 0.00 54.58 53.54 2jjz n ASN 44 Cb 0.52 -3.16 0.03 0.00 -0.61 0.00 0.00 39.78 36.56 2jjz n ASN 44 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2jjz h LEU 45 N -1.72 0.84 -0.79 3.41 5.85 -1.97 -2.42 115.31 118.50 2jjz h LEU 45 Ca -0.59 -0.37 0.12 0.00 0.84 0.00 0.00 57.88 57.88 2jjz h LEU 45 Cb 1.38 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 42.09 2jjz h LEU 45 CO 0.73 1.12 0.40 -0.65 -0.34 0.00 0.00 178.44 179.70 2jjz h PRO 46 N 0.66 0.61 -0.15 5.25 0.11 -1.93 0.40 132.00 136.95 2jjz h PRO 46 Ca 0.06 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.98 2jjz h PRO 46 Cb 0.92 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 2jjz h PRO 46 CO 0.08 0.40 -0.56 0.93 -0.21 0.00 0.00 178.00 178.65 2jjz h GLU 47 N 0.62 0.44 -0.57 1.05 3.07 -1.87 -2.03 114.58 115.30 2jjz h GLU 47 Ca 0.41 -0.28 -0.08 0.00 -0.50 0.00 0.00 59.36 58.91 2jjz h GLU 47 Cb 0.51 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 2jjz h GLU 47 CO -0.32 0.88 0.04 0.87 -1.40 0.00 0.00 179.01 179.08 2jjz h LYS 48 N 0.34 0.98 -0.05 2.33 1.57 -0.86 -2.33 116.57 118.55 2jjz h LYS 48 Ca 0.00 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.39 2jjz h LYS 48 Cb 1.08 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2jjz h LYS 48 CO 0.10 0.96 -0.46 -0.07 -0.57 0.00 0.00 179.45 179.41 2jjz h LEU 49 N 0.86 0.12 -0.49 2.94 3.38 -0.78 -1.73 115.31 119.62 2jjz h LEU 49 Ca 0.17 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2jjz h LEU 49 Cb 0.49 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2jjz h LEU 49 CO 0.02 0.56 -0.43 0.74 0.09 0.00 0.00 178.44 179.43 2jjz h THR 50 N 0.10 1.29 -0.18 0.22 2.02 -1.26 -2.40 112.91 112.69 2jjz h THR 50 Ca 0.00 -1.61 -0.13 0.00 0.77 0.00 0.00 66.41 65.45 2jjz h THR 50 Cb 0.84 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2jjz h THR 50 CO 0.06 0.52 -0.43 0.00 0.37 0.00 0.00 175.52 176.04 2jjz h ALA 51 N 0.90 0.93 -0.42 6.16 0.00 -1.12 -2.45 119.26 123.26 2jjz h ALA 51 Ca 0.04 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2jjz h ALA 51 Cb 0.99 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2jjz h ALA 51 CO 0.09 0.64 -0.12 0.74 0.00 0.00 0.00 179.25 180.60 2jjz h PHE 52 N 0.35 0.83 0.11 0.00 0.04 -1.29 -2.54 116.94 114.43 2jjz h PHE 52 Ca 0.03 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 2jjz h PHE 52 Cb 0.90 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.84 2jjz h PHE 52 CO 0.03 0.83 -0.05 -0.22 -0.60 0.00 0.00 178.31 178.30 2jjz h LYS 53 N 0.68 -0.14 -0.13 1.51 3.64 -1.25 -0.32 116.57 120.56 2jjz h LYS 53 Ca 0.11 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.36 2jjz h LYS 53 Cb 0.60 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2jjz h LYS 53 CO 0.04 -0.07 -0.55 0.93 -2.27 0.00 0.00 179.45 177.53 2jjz h GLU 54 N -0.17 0.38 -0.24 1.90 5.08 -1.44 -2.49 114.58 117.60 2jjz h GLU 54 Ca -0.01 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 57.95 2jjz h GLU 54 Cb 0.13 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2jjz h GLU 54 CO 0.02 0.83 -0.45 -0.22 -1.00 0.00 0.00 179.01 178.19 2jjz h LYS 55 N 0.29 0.73 -0.80 2.33 3.11 -1.42 -3.10 116.57 117.71 2jjz h LYS 55 Ca 0.00 -0.47 0.04 0.00 -2.81 0.00 0.00 60.65 57.42 2jjz h LYS 55 Cb 1.06 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 32.30 2jjz h LYS 55 CO 0.09 1.09 0.53 -0.92 -2.81 0.00 0.00 179.45 177.43 2jjz h TYR 56 N 0.46 0.94 0.00 1.91 3.20 -0.94 -2.91 116.97 119.63 2jjz h TYR 56 Ca 0.01 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2jjz h TYR 56 Cb 1.06 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 2jjz h TYR 56 CO 0.08 0.53 -0.15 0.52 -1.64 0.00 0.00 178.16 177.51 2jjz h MET 57 N 0.96 0.00 0.00 1.82 2.86 -1.38 -2.97 114.93 116.22 2jjz h MET 57 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 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 -0.10 0.15 0.00 -0.85 1.06 0.00 0.00 176.91 177.16 2jjz n GLU 58 N -3.30 0.79 -2.95 1.72 0.28 -1.10 -4.66 120.64 111.42 2jjz n GLU 58 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 2jjz n GLU 58 Cb 0.39 -1.40 -0.06 0.00 1.43 0.00 0.00 31.44 31.79 2jjz n GLU 58 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2jjz s PHE 59 N -2.00 3.46 -0.76 -1.84 0.40 -1.12 -5.02 117.98 111.10 2jjz s PHE 59 Ca 0.30 1.50 -0.24 0.00 -0.60 0.00 0.00 56.93 57.89 2jjz s PHE 59 Cb 0.14 -2.74 0.06 0.00 0.51 0.00 0.00 43.02 40.99 2jjz s PHE 59 CO 0.23 0.09 1.16 -0.51 0.70 0.00 0.00 175.22 176.90 2jjz s ASP 60 N -2.00 6.25 0.62 1.36 1.11 -1.26 -5.01 116.67 117.74 2jjz s ASP 60 Ca 0.54 -0.93 -0.15 0.00 0.18 0.00 0.00 52.55 52.19 2jjz s ASP 60 Cb -0.13 -2.49 -0.02 0.00 1.07 0.00 0.00 42.92 41.35 2jjz s ASP 60 CO 0.18 -1.57 1.06 -0.76 1.18 0.00 0.00 175.17 175.25 2jjz s LEU 61 N 4.71 3.41 0.00 1.23 1.43 -1.26 -4.29 118.68 123.91 2jjz s LEU 61 Ca 0.31 1.78 -0.06 0.00 -1.03 0.00 0.00 54.13 55.13 2jjz s LEU 61 Cb -0.10 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.68 2jjz s LEU 61 CO 0.08 -1.26 0.28 -0.46 0.23 0.00 0.00 176.35 175.22 2jjz n ASN 62 N -2.30 -1.50 0.16 2.29 0.23 0.27 -4.81 115.26 109.61 2jjz n ASN 62 Ca 0.09 -0.60 0.19 0.00 -0.53 0.00 0.00 54.58 53.72 2jjz n ASN 62 Cb 0.53 -0.27 0.79 0.00 -2.08 0.00 0.00 39.78 38.76 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 -1.62 0.00 -0.35 0.53 4.21 -1.97 -2.37 115.58 114.01 2jjz h ASN 63 Ca -0.11 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.14 2jjz h ASN 63 Cb 0.34 0.00 -0.21 0.00 -1.12 0.00 0.00 38.32 37.33 2jjz h ASN 63 CO 0.07 0.00 -0.67 -0.62 -1.29 0.00 0.00 177.43 174.92 2jjz n GLU 64 N -3.68 2.50 -2.83 0.81 1.02 -1.26 -4.96 120.64 112.24 2jjz n GLU 64 Ca 0.04 -3.69 -0.20 0.00 -0.02 0.00 0.00 57.16 53.29 2jjz n GLU 64 Cb 0.46 -1.90 0.01 0.00 -0.02 0.00 0.00 31.44 30.00 2jjz n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jjz n GLY 65 N -0.90 -0.51 3.44 0.62 0.00 -0.89 -4.99 105.19 101.97 2jjz n GLY 65 Ca 0.30 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 46.12 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 -5.48 1.59 -0.33 1.61 2.02 -1.26 -4.73 118.70 112.12 2jjz s GLU 66 Ca 0.19 -1.50 -0.29 0.00 0.02 0.00 0.00 54.97 53.39 2jjz s GLU 66 Cb -0.09 -1.88 -0.00 0.00 0.10 0.00 0.00 34.13 32.25 2jjz s GLU 66 CO 0.24 0.40 1.43 0.42 0.02 0.00 0.00 175.26 177.77 2jjz s ILE 67 N -1.70 3.94 0.09 -1.63 1.01 -0.63 -0.56 121.20 121.72 2jjz s ILE 67 Ca 0.22 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.89 2jjz s ILE 67 Cb -0.08 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.34 2jjz s ILE 67 CO 0.11 -0.55 0.12 -0.90 0.00 0.00 0.00 174.94 173.72 2jjz n ASP 68 N 8.37 0.58 0.26 3.58 5.75 -1.26 -1.29 116.55 132.55 2jjz n ASP 68 Ca 0.17 -1.27 -0.16 0.00 -0.01 0.00 0.00 54.79 53.52 2jjz n ASP 68 Cb 0.47 -0.05 -0.08 0.00 -1.03 0.00 0.00 41.12 40.42 2jjz n ASP 68 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2jjz h LEU 69 N 0.00 -0.72 -1.00 -2.12 5.85 -1.95 -2.55 115.31 112.83 2jjz h LEU 69 Ca -0.05 0.04 0.36 0.00 0.84 0.00 0.00 57.88 59.07 2jjz h LEU 69 Cb 0.21 0.22 -0.18 0.00 0.37 0.00 0.00 40.66 41.27 2jjz h LEU 69 CO 0.07 -0.44 0.32 -0.03 -0.34 0.00 0.00 178.44 178.01 2jjz h MET 70 N -0.70 0.00 0.00 1.25 4.05 -1.96 0.97 114.93 118.54 2jjz h MET 70 Ca -0.05 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2jjz h MET 70 Cb 0.58 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 2jjz h MET 70 CO 0.04 0.00 0.00 0.43 0.23 0.00 0.00 176.91 177.61 2jjz n SER 71 N -5.36 0.00 0.00 1.39 7.64 -0.96 -5.01 113.62 111.31 2jjz n SER 71 Ca 0.32 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2jjz n SER 71 Cb 1.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 2jjz n SER 71 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jjz n LEU 72 N -0.90 0.00 0.00 -3.43 4.77 0.34 -4.77 117.00 113.01 2jjz n LEU 72 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2jjz n LEU 72 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2jjz n LEU 72 CO 0.01 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.59 2jjz n VAL 95 N 0.00 0.00 0.05 4.08 0.31 -1.26 -5.12 118.33 116.39 2jjz n VAL 95 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2jjz n VAL 95 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 2jjz n VAL 95 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2jjz n THR 96 N -0.10 0.00 -3.53 2.52 -1.04 -1.26 -4.89 114.28 105.97 2jjz n THR 96 Ca 0.00 -0.37 -0.25 0.00 -2.04 0.00 0.00 64.05 61.39 2jjz n THR 96 Cb 0.00 0.88 -0.02 0.00 -1.82 0.00 0.00 70.33 69.38 2jjz n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jjz n GLY 97 N 1.34 -0.47 0.06 3.41 0.00 -1.26 -3.35 105.19 104.92 2jjz n GLY 97 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.11 0.86 0.12 -0.02 0.00 -1.26 -5.03 105.19 98.76 2jjz n GLY 98 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2jjz n GLY 98 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jjz n VAL 99 N -0.09 0.00 -4.01 1.61 0.31 -1.21 -5.06 118.33 109.87 2jjz n VAL 99 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2jjz n VAL 99 Cb 0.02 -0.59 -0.12 0.00 -0.91 0.00 0.00 33.84 32.24 2jjz n VAL 99 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2jjz s SER 100 N -4.07 0.42 -0.08 4.52 0.15 -1.26 -5.06 113.70 108.32 2jjz s SER 100 Ca 0.00 -0.36 0.08 0.00 0.70 0.00 0.00 55.95 56.37 2jjz s SER 100 Cb 0.00 0.04 0.36 0.00 -1.71 0.00 0.00 66.02 64.71 2jjz s SER 100 CO 0.00 -0.16 1.14 -0.90 1.20 0.00 0.00 173.24 174.52 2jjz n ASP 101 N 2.05 2.79 -4.52 5.45 3.85 -1.26 -4.82 116.55 120.10 2jjz n ASP 101 Ca -0.20 -2.30 -0.25 0.00 -0.71 0.00 0.00 54.79 51.34 2jjz n ASP 101 Cb 0.56 -0.47 -0.11 0.00 -1.35 0.00 0.00 41.12 39.76 2jjz n ASP 101 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2jjz s THR 102 N -1.73 1.48 -0.30 2.12 -4.23 -1.26 -4.59 115.64 107.12 2jjz s THR 102 Ca 0.25 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.78 2jjz s THR 102 Cb 0.17 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 71.26 2jjz s THR 102 CO 0.10 0.00 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.53 2jjz s ILE 103 N -3.05 2.41 1.18 2.99 1.01 -0.41 -4.87 121.20 120.46 2jjz s ILE 103 Ca 0.34 -1.84 -0.17 0.00 0.00 0.00 0.00 60.65 58.98 2jjz s ILE 103 Cb 0.09 -2.54 0.28 0.00 0.01 0.00 0.00 42.46 40.29 2jjz s ILE 103 CO 0.16 -0.26 1.07 -0.94 0.00 0.00 0.00 174.94 174.97 2jjz s SER 104 N 1.12 1.03 0.24 3.58 1.04 -1.26 -1.60 113.70 117.84 2jjz s SER 104 Ca -0.01 0.91 0.01 0.00 0.48 0.00 0.00 55.95 57.34 2jjz s SER 104 Cb -0.20 -1.35 0.28 0.00 0.10 0.00 0.00 66.02 64.84 2jjz s SER 104 CO -0.05 -4.09 1.61 0.22 0.98 0.00 0.00 173.24 171.91 2jjz h TYR 105 N -2.55 0.54 -0.39 5.02 3.20 -1.98 -2.63 116.97 118.18 2jjz h TYR 105 Ca -0.50 -0.16 -0.09 0.00 3.14 0.00 0.00 58.73 61.12 2jjz h TYR 105 Cb 1.32 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 2jjz h TYR 105 CO -1.36 0.81 -0.11 0.00 -1.64 0.00 0.00 178.16 175.86 2jjz h ARG 106 N 0.37 0.77 -0.65 1.82 3.08 -1.99 0.13 114.38 117.91 2jjz h ARG 106 Ca 0.03 -0.30 0.06 0.00 0.07 0.00 0.00 59.98 59.83 2jjz h ARG 106 Cb 0.91 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.86 2jjz h ARG 106 CO 0.08 0.91 0.36 -0.44 -1.07 0.00 0.00 179.97 179.81 2jjz h ASP 107 N 0.58 0.54 -0.18 7.04 3.32 -1.93 -0.79 116.42 125.00 2jjz h ASP 107 Ca 0.10 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2jjz h ASP 107 Cb 0.64 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2jjz h ASP 107 CO 0.04 0.36 0.09 0.15 -1.72 0.00 0.00 179.24 178.16 2jjz h PHE 108 N 0.68 0.25 -0.21 4.55 3.57 -1.15 0.13 116.94 124.76 2jjz h PHE 108 Ca 0.29 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 2jjz h PHE 108 Cb 0.17 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2jjz h PHE 108 CO -0.08 0.27 0.09 0.28 -2.23 0.00 0.00 178.31 176.63 2jjz h VAL 109 N 0.17 1.16 -0.80 1.41 2.07 -0.57 -0.97 116.25 118.73 2jjz h VAL 109 Ca 0.06 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2jjz h VAL 109 Cb 0.11 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2jjz h VAL 109 CO -0.01 0.16 0.52 0.78 0.02 0.00 0.00 177.57 179.05 2jjz h ASN 110 N 0.19 0.92 0.00 0.57 2.35 -0.95 0.98 115.58 119.64 2jjz h ASN 110 Ca 0.07 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2jjz h ASN 110 Cb 0.17 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2jjz h ASN 110 CO -0.01 0.67 -0.12 -0.03 -1.65 0.00 0.00 177.43 176.30 2jjz h MET 111 N 1.08 -0.19 -0.76 0.81 1.85 -0.59 0.25 114.93 117.38 2jjz h MET 111 Ca 0.29 0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 59.35 2jjz h MET 111 Cb -0.12 0.04 -0.03 0.00 0.43 0.00 0.00 31.60 31.92 2jjz h MET 111 CO -0.06 -0.13 0.28 0.52 -0.40 0.00 0.00 176.91 177.12 2jjz h MET 112 N -0.20 1.15 -0.03 0.39 2.86 -0.73 -2.74 114.93 115.64 2jjz h MET 112 Ca 0.04 -0.22 -0.15 0.00 -2.06 0.00 0.00 59.70 57.31 2jjz h MET 112 Cb 0.25 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2jjz h MET 112 CO -0.11 0.95 -0.67 -0.07 1.06 0.00 0.00 176.91 178.07 2jjz h LEU 113 N 1.11 0.14-10.53 1.22 3.38 -0.78 -3.45 115.31 106.40 2jjz h LEU 113 Ca 0.25 -0.09 -0.44 0.00 0.09 0.00 0.00 57.88 57.69 2jjz h LEU 113 Cb 0.24 -0.04 0.16 0.00 0.09 0.00 0.00 40.66 41.11 2jjz h LEU 113 CO -0.02 0.77 0.26 -0.83 0.09 0.00 0.00 178.44 178.71 2jjz s GLY 114 N -4.43 1.63 0.09 0.83 0.00 0.88 -4.99 107.32 101.32 2jjz s GLY 114 Ca -0.02 -0.82 0.17 0.00 0.00 0.00 0.00 44.72 44.04 2jjz s GLY 114 CO 0.79 -0.09 0.91 0.50 0.00 0.00 0.00 173.10 175.20 2jjz h LYS 115 N -1.94 0.00 -6.49 2.90 1.57 -1.88 -3.48 116.57 107.26 2jjz h LYS 115 Ca -0.47 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.70 2jjz h LYS 115 Cb 1.30 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.70 2jjz h LYS 115 CO 0.46 0.31 0.31 0.54 -0.57 0.00 0.00 179.45 180.51 2jjz n ARG 116 N -2.93 1.53 -2.59 3.15 1.74 -1.26 -4.87 116.66 111.43 2jjz n ARG 116 Ca -0.08 0.54 -0.42 0.00 -0.77 0.00 0.00 57.85 57.13 2jjz n ARG 116 Cb 0.82 -2.03 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 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 -0.20 6.23 -0.11 0.55 0.15 -1.26 -4.97 113.70 114.09 2jjz s SER 117 Ca 0.64 -0.37 -0.03 0.00 0.70 0.00 0.00 55.95 56.89 2jjz s SER 117 Cb -0.72 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.02 2jjz s SER 117 CO 0.56 -1.71 0.01 0.00 1.20 0.00 0.00 173.24 173.31 2jjz s ALA 118 N 5.36 3.31 0.56 5.45 0.00 -1.26 -4.97 121.76 130.20 2jjz s ALA 118 Ca 0.36 -0.79 0.40 0.00 0.00 0.00 0.00 51.96 51.92 2jjz s ALA 118 Cb -0.09 -1.57 1.55 0.00 0.00 0.00 0.00 23.12 23.01 2jjz s ALA 118 CO 0.17 0.50 1.69 -0.39 0.00 0.00 0.00 175.76 177.73 2jjz h VAL 119 N 4.33 0.23 0.00 0.00 -1.51 -2.01 0.63 116.25 117.92 2jjz h VAL 119 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2jjz h VAL 119 Cb 1.19 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 2jjz h VAL 119 CO 0.57 0.00 -0.27 -0.11 -1.23 0.00 0.00 177.57 176.53 2jjz n LEU 120 N -3.97 0.33 -0.30 4.19 7.94 -1.26 -3.68 117.00 120.24 2jjz n LEU 120 Ca 0.30 0.26 0.02 0.00 -1.11 0.00 0.00 56.01 55.49 2jjz n LEU 120 Cb 1.49 -0.35 0.10 0.00 0.53 0.00 0.00 43.42 45.18 2jjz n LEU 120 CO 0.39 0.04 0.67 0.50 -1.11 0.00 0.00 177.39 177.89 2jjz h LYS 121 N 0.00 -0.01 0.00 1.96 1.63 -0.10 -3.53 116.57 116.52 2jjz h LYS 121 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2jjz h LYS 121 Cb 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2jjz h LYS 121 CO 0.00 -0.01 0.00 1.28 -3.45 0.00 0.00 179.45 177.27