#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jbx n ARG 4 N 0.00 0.00 -0.06 -1.46 0.63 -1.26 -4.90 116.66 109.61 2jbx n ARG 4 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 2jbx n ARG 4 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 2jbx n ARG 4 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2jbx h LEU 5 N 0.00 0.46 -0.49 6.15 5.85 -1.97 -2.11 115.31 123.20 2jbx h LEU 5 Ca 0.00 -0.49 -0.06 0.00 0.84 0.00 0.00 57.88 58.16 2jbx h LEU 5 Cb 0.00 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2jbx h LEU 5 CO 0.00 0.86 0.05 0.50 -0.34 0.00 0.00 178.44 179.51 2jbx h LYS 6 N 0.07 0.83 0.12 1.25 3.64 -1.94 0.31 116.57 120.85 2jbx h LYS 6 Ca 0.02 -0.24 0.02 0.00 -1.27 0.00 0.00 60.65 59.18 2jbx h LYS 6 Cb 0.74 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 2jbx h LYS 6 CO 0.05 0.84 -0.23 1.15 -2.27 0.00 0.00 179.45 178.99 2jbx h THR 7 N 0.69 0.49 -0.93 1.00 2.02 -1.92 -1.83 112.91 112.43 2jbx h THR 7 Ca 0.14 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.43 2jbx h THR 7 Cb 0.43 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 2jbx h THR 7 CO 0.01 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.50 2jbx h ALA 8 N 0.35 1.61 0.00 6.16 0.00 -0.48 -2.55 119.26 124.36 2jbx h ALA 8 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2jbx h ALA 8 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jbx h ALA 8 CO -0.13 0.18 -0.63 -0.39 0.00 0.00 0.00 179.25 178.28 2jbx h VAL 9 N 0.92 1.42 0.77 0.00 -1.51 -0.05 0.01 116.25 117.81 2jbx h VAL 9 Ca 0.44 -2.19 -0.04 0.00 -1.23 0.00 0.00 66.70 63.68 2jbx h VAL 9 Cb 0.45 2.19 0.01 0.00 -2.13 0.00 0.00 31.29 31.81 2jbx h VAL 9 CO -0.21 0.62 -0.37 1.88 -1.23 0.00 0.00 177.57 178.26 2jbx h TYR 10 N 0.00 -0.96 -0.97 5.19 0.05 -0.95 -0.33 116.97 118.99 2jbx h TYR 10 Ca -0.01 -0.02 0.11 0.00 0.05 0.00 0.00 58.73 58.86 2jbx h TYR 10 Cb 1.14 0.32 -0.08 0.00 1.01 0.00 0.00 36.73 39.13 2jbx h TYR 10 CO 0.00 -0.58 0.62 -0.44 -1.05 0.00 0.00 178.16 176.70 2jbx h ASP 11 N -1.21 0.90 0.09 3.88 3.32 -1.33 0.37 116.42 122.44 2jbx h ASP 11 Ca -0.11 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2jbx h ASP 11 Cb 0.81 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 2jbx h ASP 11 CO 0.17 0.50 -0.37 0.22 -1.72 0.00 0.00 179.24 178.05 2jbx h TYR 12 N 0.98 -1.02 -0.28 4.55 3.20 -0.91 0.77 116.97 124.26 2jbx h TYR 12 Ca 0.46 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.30 2jbx h TYR 12 Cb 0.44 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2jbx h TYR 12 CO -0.00 -0.47 -0.07 -0.07 -1.64 0.00 0.00 178.16 175.90 2jbx h LEU 13 N -0.58 0.55 0.00 2.82 3.38 0.11 -2.55 115.31 119.04 2jbx h LEU 13 Ca 0.03 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2jbx h LEU 13 Cb 0.62 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2jbx h LEU 13 CO -0.23 0.79 0.00 0.59 0.09 0.00 0.00 178.44 179.68 2jbx n ASN 14 N -4.50 0.00 -3.26 -0.43 5.03 0.10 -4.89 115.26 107.32 2jbx n ASN 14 Ca -0.03 -0.94 -0.11 0.00 0.87 0.00 0.00 54.58 54.37 2jbx n ASN 14 Cb 0.32 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.08 2jbx n ASN 14 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2jbx n ASP 15 N -0.90 -6.86 -4.71 6.41 2.03 0.20 -4.99 116.55 107.72 2jbx n ASP 15 Ca 0.15 -0.21 -0.35 0.00 0.52 0.00 0.00 54.79 54.89 2jbx n ASP 15 Cb 0.07 -4.06 -0.09 0.00 -0.72 0.00 0.00 41.12 36.32 2jbx n ASP 15 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2jbx s VAL 16 N -2.80 4.76 0.37 5.18 1.01 -0.78 -5.05 120.40 123.10 2jbx s VAL 16 Ca 0.08 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.73 2jbx s VAL 16 Cb -0.02 -3.07 -0.12 0.00 0.00 0.00 0.00 36.38 33.18 2jbx s VAL 16 CO 0.80 0.56 1.17 0.47 0.00 0.00 0.00 175.10 178.10 2jbx n ASP 17 N 2.59 2.08 -4.00 3.32 8.00 -1.26 -4.84 116.55 122.44 2jbx n ASP 17 Ca -0.18 1.14 -0.37 0.00 0.71 0.00 0.00 54.79 56.09 2jbx n ASP 17 Cb 0.53 -1.42 0.04 0.00 -0.02 0.00 0.00 41.12 40.25 2jbx n ASP 17 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2jbx n ILE 18 N 0.01 0.00 -2.16 0.53 5.41 -1.26 -2.13 119.36 119.77 2jbx n ILE 18 Ca 0.07 -0.29 -0.10 0.00 1.00 0.00 0.00 62.75 63.43 2jbx n ILE 18 Cb 0.37 -0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.28 2jbx n ILE 18 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2jbx n THR 19 N -2.92 -0.35 -0.11 1.39 -2.24 -1.26 -4.42 114.28 104.35 2jbx n THR 19 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2jbx n THR 19 Cb 0.64 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 2jbx n THR 19 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jbx n GLU 20 N -2.47 0.65 -2.45 -0.78 1.02 -0.90 -5.01 120.64 110.70 2jbx n GLU 20 Ca -0.11 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.60 2jbx n GLU 20 Cb 0.52 -0.05 -0.02 0.00 -0.02 0.00 0.00 31.44 31.87 2jbx n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jbx h THR 22 N 5.55 0.74 -3.17 0.00 1.35 -1.95 -3.47 112.91 111.97 2jbx h THR 22 Ca -0.26 -0.76 -0.67 0.00 -0.55 0.00 0.00 66.41 64.17 2jbx h THR 22 Cb 1.10 1.47 -0.34 0.00 -1.73 0.00 0.00 68.15 68.65 2jbx h THR 22 CO 0.98 0.18 -0.86 -1.61 -0.25 0.00 0.00 175.52 173.97 2jbx s GLU 23 N -4.15 3.04 0.00 4.72 0.41 -1.26 -5.07 118.70 116.39 2jbx s GLU 23 Ca -0.02 -0.83 0.00 0.00 -0.41 0.00 0.00 54.97 53.71 2jbx s GLU 23 Cb 0.13 -2.51 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 2jbx s GLU 23 CO 0.63 -0.08 0.00 -3.47 -0.49 0.00 0.00 175.26 171.85 2jbx n ASP 25 N 4.26 0.00 0.08 -0.19 -0.08 -1.26 -1.27 116.55 118.10 2jbx n ASP 25 Ca -0.20 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.10 2jbx n ASP 25 Cb 0.51 0.00 0.37 0.00 2.34 0.00 0.00 41.12 44.34 2jbx n ASP 25 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2jbx h LEU 26 N 0.00 0.30 0.61 -2.67 5.85 -1.97 -3.05 115.31 114.38 2jbx h LEU 26 Ca 0.00 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2jbx h LEU 26 Cb 0.00 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 40.96 2jbx h LEU 26 CO 0.00 0.42 -0.29 0.25 -0.34 0.00 0.00 178.44 178.48 2jbx h LEU 27 N 0.31 -0.69 -0.35 2.25 6.46 -1.53 -2.32 115.31 119.44 2jbx h LEU 27 Ca 0.07 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.88 2jbx h LEU 27 Cb 0.33 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.38 2jbx h LEU 27 CO 0.02 -0.49 -0.37 0.00 -0.62 0.00 0.00 178.44 176.98 2jbx h GLN 29 N -0.20 0.31 -0.33 0.00 4.20 -1.51 0.29 115.11 117.87 2jbx h GLN 29 Ca 0.06 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.82 2jbx h GLN 29 Cb 0.36 -0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.99 2jbx h GLN 29 CO -0.44 0.20 -0.30 -0.07 -0.67 0.00 0.00 178.83 177.55 2jbx h LEU 30 N 0.32 -0.99 -0.77 1.46 3.38 -0.63 0.47 115.31 118.54 2jbx h LEU 30 Ca 0.54 0.17 -0.09 0.00 0.09 0.00 0.00 57.88 58.59 2jbx h LEU 30 Cb 1.03 0.46 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 2jbx h LEU 30 CO -0.57 -0.31 -0.07 -1.28 0.09 0.00 0.00 178.44 176.30 2jbx h SER 31 N -0.27 0.84 0.00 -0.43 0.87 0.06 0.11 113.55 114.74 2jbx h SER 31 Ca 0.16 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2jbx h SER 31 Cb 0.52 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2jbx h SER 31 CO -0.48 0.95 0.00 0.59 -0.53 0.00 0.00 176.83 177.36 2jbx n ASN 32 N -4.17 0.00 -0.36 6.23 3.02 0.78 -0.33 115.26 120.42 2jbx n ASN 32 Ca 0.02 0.80 0.04 0.00 -0.03 0.00 0.00 54.58 55.42 2jbx n ASN 32 Cb 0.36 -0.30 0.12 0.00 -0.61 0.00 0.00 39.78 39.34 2jbx n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jbx h ASP 35 N -0.54 -1.24 -0.58 0.00 3.45 0.85 0.25 116.42 118.60 2jbx h ASP 35 Ca 0.01 0.23 0.11 0.00 0.43 0.00 0.00 57.03 57.81 2jbx h ASP 35 Cb 0.58 0.60 -0.11 0.00 -0.56 0.00 0.00 39.33 39.84 2jbx h ASP 35 CO -0.29 -0.31 -0.30 0.15 -1.57 0.00 0.00 179.24 176.91 2jbx h PHE 36 N -0.19 -0.82 0.07 4.55 3.04 -0.59 0.12 116.94 123.13 2jbx h PHE 36 Ca 0.21 0.07 0.01 0.00 3.98 0.00 0.00 57.97 62.24 2jbx h PHE 36 Cb 0.56 0.45 -0.04 0.00 2.56 0.00 0.00 35.95 39.47 2jbx h PHE 36 CO -0.65 -0.37 -0.43 0.82 -2.02 0.00 0.00 178.31 175.67 2jbx h ILE 37 N -0.14 0.00 -1.34 1.41 2.04 0.21 -1.87 117.51 117.82 2jbx h ILE 37 Ca 0.24 0.00 0.39 0.00 1.00 0.00 0.00 64.86 66.49 2jbx h ILE 37 Cb 0.54 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 2jbx h ILE 37 CO -0.67 0.00 0.95 -1.13 0.00 0.00 0.00 178.15 177.30 2jbx h ASN 38 N -0.59 0.06 0.29 1.72 -1.24 0.34 0.32 115.58 116.48 2jbx h ASN 38 Ca -0.00 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 2jbx h ASN 38 Cb 0.60 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.67 2jbx h ASN 38 CO -0.24 -0.00 -0.14 -0.33 -1.29 0.00 0.00 177.43 175.42 2jbx h GLU 39 N 0.04 -0.38 0.00 6.67 4.39 -0.28 -3.25 114.58 121.78 2jbx h GLU 39 Ca 0.66 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.38 2jbx h GLU 39 Cb 2.51 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 31.25 2jbx h GLU 39 CO -0.06 -0.25 0.00 0.25 -1.16 0.00 0.00 179.01 177.78 2jbx n THR 40 N -3.64 0.23 -1.91 1.13 -2.24 0.04 -2.72 114.28 105.17 2jbx n THR 40 Ca -0.05 0.06 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 2jbx n THR 40 Cb 0.15 -0.66 0.12 0.00 -2.10 0.00 0.00 70.33 67.84 2jbx n THR 40 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2jbx n TYR 41 N -1.27 0.00 -0.29 4.78 4.02 -0.86 -4.91 117.16 118.63 2jbx n TYR 41 Ca 0.12 -1.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.00 2jbx n TYR 41 Cb 0.18 -0.19 0.06 0.00 -0.02 0.00 0.00 39.34 39.37 2jbx n TYR 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jbx h ALA 42 N 0.85 0.26 -0.81 -0.72 0.00 -1.54 0.90 119.26 118.20 2jbx h ALA 42 Ca -0.08 0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.19 2jbx h ALA 42 Cb 1.35 0.79 -0.12 0.00 0.00 0.00 0.00 17.79 19.81 2jbx h ALA 42 CO 0.04 -0.55 -0.38 1.63 0.00 0.00 0.00 179.25 179.99 2jbx n LYS 43 N -5.49 -0.25 0.14 0.00 5.02 -1.26 -1.64 118.16 114.67 2jbx n LYS 43 Ca 0.09 1.23 0.04 0.00 -2.02 0.00 0.00 58.31 57.65 2jbx n LYS 43 Cb 0.40 -1.83 0.44 0.00 -0.02 0.00 0.00 35.03 34.02 2jbx n LYS 43 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2jbx h ASN 44 N 0.00 0.18 0.08 4.39 4.21 -1.23 -1.10 115.58 122.12 2jbx h ASN 44 Ca 0.22 -0.03 -0.13 0.00 1.21 0.00 0.00 56.30 57.58 2jbx h ASN 44 Cb 0.42 -0.05 0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2jbx h ASN 44 CO -0.79 0.30 -0.55 1.88 -1.29 0.00 0.00 177.43 176.98 2jbx h TYR 45 N 0.19 0.39 -0.60 1.19 -1.99 -1.26 -1.29 116.97 113.59 2jbx h TYR 45 Ca 0.04 -0.27 0.12 0.00 2.00 0.00 0.00 58.73 60.63 2jbx h TYR 45 Cb 0.28 -0.02 -0.11 0.00 2.00 0.00 0.00 36.73 38.88 2jbx h TYR 45 CO 0.00 1.19 -0.07 -0.44 -0.00 0.00 0.00 178.16 178.85 2jbx h ASP 46 N -0.52 -0.40 0.47 3.88 3.45 -1.03 0.58 116.42 122.85 2jbx h ASP 46 Ca -0.09 0.16 -0.24 0.00 0.43 0.00 0.00 57.03 57.29 2jbx h ASP 46 Cb 1.41 0.31 0.00 0.00 -0.56 0.00 0.00 39.33 40.49 2jbx h ASP 46 CO 0.10 -0.15 -1.03 0.71 -1.57 0.00 0.00 179.24 177.30 2jbx h THR 47 N 0.06 1.45 0.20 0.35 1.35 -1.26 -2.67 112.91 112.39 2jbx h THR 47 Ca 0.30 -2.68 -0.01 0.00 -0.55 0.00 0.00 66.41 63.48 2jbx h THR 47 Cb 0.48 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 2jbx h THR 47 CO -0.56 0.79 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.33 2jbx h LEU 48 N 0.16 -0.22 -0.38 3.87 -0.00 -0.55 -2.56 115.31 115.63 2jbx h LEU 48 Ca -0.09 -0.14 0.08 0.00 -0.00 0.00 0.00 57.88 57.72 2jbx h LEU 48 Cb 1.69 0.06 -0.09 0.00 -0.00 0.00 0.00 40.66 42.32 2jbx h LEU 48 CO 0.17 0.01 -0.30 0.22 -0.00 0.00 0.00 178.44 178.54 2jbx h TYR 49 N -0.46 -0.83 -0.97 1.13 5.03 0.19 -0.57 116.97 120.49 2jbx h TYR 49 Ca -0.03 0.05 0.08 0.00 2.58 0.00 0.00 58.73 61.42 2jbx h TYR 49 Cb 0.35 0.42 -0.07 0.00 1.55 0.00 0.00 36.73 38.99 2jbx h TYR 49 CO -0.01 -0.37 0.62 -0.44 -1.32 0.00 0.00 178.16 176.65 2jbx h ASP 50 N -0.25 0.95 0.00 -2.11 3.45 -1.51 -0.26 116.42 116.69 2jbx h ASP 50 Ca 0.17 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.65 2jbx h ASP 50 Cb 0.52 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 2jbx h ASP 50 CO -0.51 0.58 0.00 -0.38 -1.57 0.00 0.00 179.24 177.36 2jbx n ILE 51 N -4.53 0.00 0.00 0.35 2.08 -0.22 -4.51 119.36 112.53 2jbx n ILE 51 Ca 0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.47 2jbx n ILE 51 Cb 0.24 -0.24 0.00 0.00 -0.75 0.00 0.00 39.64 38.90 2jbx n ILE 51 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2jbx n GLU 53 N 0.02 0.00 -0.08 0.38 2.13 -0.11 -4.75 120.64 118.22 2jbx n GLU 53 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2jbx n GLU 53 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 2jbx n GLU 53 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jbx h ARG 54 N 0.00 0.30 -0.22 5.31 2.47 -1.85 -2.06 114.38 118.32 2jbx h ARG 54 Ca 0.00 -0.02 -0.17 0.00 -1.26 0.00 0.00 59.98 58.53 2jbx h ARG 54 Cb 0.00 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2jbx h ARG 54 CO 0.00 0.20 -0.55 -0.44 0.56 0.00 0.00 179.97 179.74 2jbx h ASP 55 N 0.31 0.75 0.07 7.04 3.32 -1.91 -3.31 116.42 122.69 2jbx h ASP 55 Ca 0.12 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 2jbx h ASP 55 Cb 0.04 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 2jbx h ASP 55 CO -0.09 1.15 -0.06 0.40 -1.72 0.00 0.00 179.24 178.92 2jbx h ILE 56 N 0.52 0.00 -2.95 0.35 2.04 -1.87 0.65 117.51 116.24 2jbx h ILE 56 Ca 0.01 0.00 -0.48 0.00 1.00 0.00 0.00 64.86 65.40 2jbx h ILE 56 Cb 1.11 0.00 0.22 0.00 -0.74 0.00 0.00 36.82 37.42 2jbx h ILE 56 CO 0.11 0.00 -0.60 0.18 0.00 0.00 0.00 178.15 177.84 2jbx n LEU 57 N -2.61 -1.13 0.00 1.44 4.77 -0.78 -1.61 117.00 117.08 2jbx n LEU 57 Ca -0.02 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2jbx n LEU 57 Cb 0.06 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 2jbx n LEU 57 CO 0.04 -3.18 0.00 -1.54 -1.33 0.00 0.00 177.39 171.37 2jbx n SER 58 N -2.61 0.00 -3.82 -1.43 3.41 -1.25 -4.11 113.62 103.81 2jbx n SER 58 Ca 0.04 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.39 2jbx n SER 58 Cb 0.57 -0.52 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 2jbx n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jbx n TYR 59 N -1.64 -2.01 -2.70 7.33 9.36 -0.64 -4.82 117.16 122.04 2jbx n TYR 59 Ca 0.00 0.85 -0.43 0.00 3.32 0.00 0.00 57.90 61.64 2jbx n TYR 59 Cb 0.00 -4.14 0.00 0.00 -0.63 0.00 0.00 39.34 34.57 2jbx n TYR 59 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2jbx n ASN 60 N -2.96 5.05 -0.32 2.98 2.85 0.22 -4.80 115.26 118.28 2jbx n ASN 60 Ca -0.17 -2.97 0.08 0.00 -0.11 0.00 0.00 54.58 51.40 2jbx n ASN 60 Cb 0.62 -1.61 0.24 0.00 1.24 0.00 0.00 39.78 40.28 2jbx n ASN 60 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2jbx h ILE 61 N 4.73 0.78 0.04 -1.44 1.08 -1.88 -2.00 117.51 118.82 2jbx h ILE 61 Ca 0.38 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 64.59 2jbx h ILE 61 Cb 0.83 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 2jbx h ILE 61 CO 1.39 0.14 -0.02 0.58 -0.69 0.00 0.00 178.15 179.55 2jbx h VAL 62 N 0.75 1.16 -0.38 1.67 2.07 -1.97 -1.07 116.25 118.48 2jbx h VAL 62 Ca 0.49 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 2jbx h VAL 62 Cb 0.65 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2jbx h VAL 62 CO -0.34 0.16 -0.00 0.78 0.02 0.00 0.00 177.57 178.19 2jbx h ASN 63 N -0.34 0.56 -0.09 0.57 2.35 -1.91 0.50 115.58 117.23 2jbx h ASN 63 Ca -0.01 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2jbx h ASN 63 Cb 0.31 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 2jbx h ASN 63 CO 0.01 0.63 0.00 0.40 -1.65 0.00 0.00 177.43 176.83 2jbx h ILE 64 N 0.57 1.24 -0.46 2.81 2.04 -1.21 0.15 117.51 122.65 2jbx h ILE 64 Ca 0.12 -0.76 0.09 0.00 1.00 0.00 0.00 64.86 65.31 2jbx h ILE 64 Cb 0.37 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 2jbx h ILE 64 CO 0.01 0.21 -0.08 0.11 0.00 0.00 0.00 178.15 178.41 2jbx h LYS 65 N -0.11 0.03 -0.28 2.37 1.57 -0.53 -1.62 116.57 118.01 2jbx h LYS 65 Ca 0.03 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2jbx h LYS 65 Cb 0.33 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2jbx h LYS 65 CO 0.00 0.02 -0.18 -0.91 -0.57 0.00 0.00 179.45 177.81 2jbx h ASN 66 N 0.03 0.49 -0.93 0.86 2.35 0.07 -1.28 115.58 117.16 2jbx h ASN 66 Ca 0.22 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2jbx h ASN 66 Cb 0.34 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 2jbx h ASN 66 CO -0.45 0.68 0.57 0.74 -1.65 0.00 0.00 177.43 177.32 2jbx h THR 67 N 0.45 1.25 0.00 2.81 2.02 0.08 -2.46 112.91 117.06 2jbx h THR 67 Ca 0.08 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2jbx h THR 67 Cb 0.57 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2jbx h THR 67 CO 0.04 0.26 -0.80 0.18 0.37 0.00 0.00 175.52 175.58 2jbx n LEU 68 N -4.37 0.70 0.03 2.58 4.77 -0.68 -3.20 117.00 116.82 2jbx n LEU 68 Ca 0.10 0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2jbx n LEU 68 Cb 0.05 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 2jbx n LEU 68 CO 0.38 -0.05 -0.30 0.41 -1.33 0.00 0.00 177.39 176.50 2jbx n THR 69 N -2.16 1.20 -0.11 -5.08 -1.04 -0.51 -3.84 114.28 102.74 2jbx n THR 69 Ca 0.02 -0.69 -0.05 0.00 -2.04 0.00 0.00 64.05 61.29 2jbx n THR 69 Cb 0.46 -0.75 0.02 0.00 -1.82 0.00 0.00 70.33 68.24 2jbx n THR 69 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2jbx h PHE 70 N 0.00 -0.07 0.07 -1.42 3.04 -1.40 -2.93 116.94 114.23 2jbx h PHE 70 Ca -0.17 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.81 2jbx h PHE 70 Cb 1.60 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 40.19 2jbx h PHE 70 CO 0.00 -0.10 -0.06 0.00 -2.02 0.00 0.00 178.31 176.13 2jbx h ALA 71 N 1.35 -0.83 -3.00 2.41 0.00 -1.70 -3.41 119.26 114.08 2jbx h ALA 71 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jbx h ALA 71 Cb 0.27 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jbx h ALA 71 CO -0.33 -0.83 0.00 1.28 0.00 0.00 0.00 179.25 179.37 2jbx n LEU 72 N -2.65 0.00 0.00 0.00 4.77 -1.10 -4.67 117.00 113.35 2jbx n LEU 72 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2jbx n LEU 72 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2jbx n LEU 72 CO 0.04 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.64 2jbx n ARG 73 N 0.00 0.00 -1.62 3.23 5.12 -1.25 -1.76 116.66 120.38 2jbx n ARG 73 Ca 0.00 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.52 2jbx n ARG 73 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 2jbx n ARG 73 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2jbx n ASP 74 N -0.34 7.00 -4.83 0.55 9.92 -1.26 -4.94 116.55 122.65 2jbx n ASP 74 Ca 0.00 -2.78 -0.30 0.00 -0.53 0.00 0.00 54.79 51.18 2jbx n ASP 74 Cb 0.00 -1.55 0.07 0.00 -0.64 0.00 0.00 41.12 39.00 2jbx n ASP 74 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jbx s ALA 75 N 1.76 2.51 0.27 2.24 0.00 -0.72 -5.05 121.76 122.77 2jbx s ALA 75 Ca 0.58 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.21 2jbx s ALA 75 Cb 0.16 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 20.12 2jbx s ALA 75 CO -0.07 -1.48 0.62 -1.54 0.00 0.00 0.00 175.76 173.29 2jbx s SER 76 N -4.06 6.64 0.57 0.00 1.04 -1.26 -4.95 113.70 111.68 2jbx s SER 76 Ca 0.60 1.01 0.39 0.00 0.48 0.00 0.00 55.95 58.42 2jbx s SER 76 Cb -0.13 -2.26 1.47 0.00 0.10 0.00 0.00 66.02 65.19 2jbx s SER 76 CO 0.53 -0.15 1.62 -0.65 0.98 0.00 0.00 173.24 175.57 2jbx h PRO 77 N 2.28 0.00 -0.03 4.02 0.11 -1.97 -2.35 132.00 134.06 2jbx h PRO 77 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2jbx h PRO 77 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2jbx h PRO 77 CO 0.67 0.00 -0.02 0.66 -0.21 0.00 0.00 178.00 179.10 2jbx h SER 78 N 0.00 0.07 0.10 -2.05 4.64 -1.98 -3.00 113.55 111.33 2jbx h SER 78 Ca 0.64 -0.44 -0.13 0.00 -0.47 0.00 0.00 61.79 61.39 2jbx h SER 78 Cb 2.85 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 64.91 2jbx h SER 78 CO -0.01 0.50 -0.47 1.62 -0.87 0.00 0.00 176.83 177.60 2jbx h VAL 79 N -0.36 1.32 -1.07 0.95 3.04 -1.85 -2.59 116.25 115.69 2jbx h VAL 79 Ca 0.01 -1.67 0.29 0.00 -1.01 0.00 0.00 66.70 64.31 2jbx h VAL 79 Cb 0.47 1.70 -0.08 0.00 -2.01 0.00 0.00 31.29 31.37 2jbx h VAL 79 CO 0.01 0.51 0.71 0.11 -1.01 0.00 0.00 177.57 177.90 2jbx h LYS 80 N 0.35 0.28 0.00 4.17 1.57 -1.41 0.37 116.57 121.90 2jbx h LYS 80 Ca 0.02 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2jbx h LYS 80 Cb 0.96 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 2jbx h LYS 80 CO 0.08 0.18 -1.63 1.28 -0.57 0.00 0.00 179.45 178.80 2jbx n LEU 81 N -4.53 0.48 0.21 2.94 4.77 -1.12 -2.26 117.00 117.49 2jbx n LEU 81 Ca 0.25 0.20 -0.08 0.00 -0.03 0.00 0.00 56.01 56.36 2jbx n LEU 81 Cb 0.97 0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 42.11 2jbx n LEU 81 CO 0.29 0.08 0.51 0.00 -1.33 0.00 0.00 177.39 176.94 2jbx h ALA 82 N 1.66 -1.13 -1.13 -1.18 0.00 -0.82 0.51 119.26 117.17 2jbx h ALA 82 Ca -0.13 -0.11 0.32 0.00 0.00 0.00 0.00 54.91 54.98 2jbx h ALA 82 Cb 1.38 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.28 2jbx h ALA 82 CO 0.02 -1.09 0.75 1.15 0.00 0.00 0.00 179.25 180.07 2jbx h THR 83 N -0.53 0.42 -0.16 0.00 2.02 -0.47 0.90 112.91 115.10 2jbx h THR 83 Ca -0.05 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 2jbx h THR 83 Cb 0.40 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2jbx h THR 83 CO 0.09 0.05 -0.03 0.25 0.37 0.00 0.00 175.52 176.24 2jbx h LEU 84 N 0.25 0.30 -0.53 2.58 5.85 -1.26 -0.57 115.31 121.94 2jbx h LEU 84 Ca 0.64 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 2jbx h LEU 84 Cb 1.89 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.82 2jbx h LEU 84 CO -0.26 0.58 0.16 0.00 -0.34 0.00 0.00 178.44 178.59 2jbx h THR 85 N 0.00 1.23 -0.05 1.05 1.03 0.58 -1.07 112.91 115.69 2jbx h THR 85 Ca 0.04 -0.79 0.02 0.00 -0.01 0.00 0.00 66.41 65.67 2jbx h THR 85 Cb 0.45 0.75 -0.05 0.00 -1.07 0.00 0.00 68.15 68.23 2jbx h THR 85 CO 0.01 0.29 -0.46 0.25 -0.01 0.00 0.00 175.52 175.60 2jbx h LEU 86 N 0.72 -1.45 -1.75 0.00 5.85 -0.54 -2.10 115.31 116.04 2jbx h LEU 86 Ca 0.17 0.17 0.31 0.00 0.84 0.00 0.00 57.88 59.37 2jbx h LEU 86 Cb 0.28 0.56 -0.07 0.00 0.37 0.00 0.00 40.66 41.80 2jbx h LEU 86 CO -0.00 -0.44 0.78 0.25 -0.34 0.00 0.00 178.44 178.68 2jbx h LEU 87 N -0.55 0.17 0.18 2.25 7.12 -0.71 0.13 115.31 123.90 2jbx h LEU 87 Ca 0.02 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 2jbx h LEU 87 Cb 0.61 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 2jbx h LEU 87 CO -0.33 0.02 -0.09 0.00 -0.13 0.00 0.00 178.44 177.91 2jbx h ALA 88 N 1.50 -0.25 0.18 1.25 0.00 -0.49 -0.51 119.26 120.94 2jbx h ALA 88 Ca 0.57 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2jbx h ALA 88 Cb 1.97 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2jbx h ALA 88 CO -0.12 -0.64 -0.09 0.77 0.00 0.00 0.00 179.25 179.17 2jbx h SER 89 N -0.25 -0.20 -0.71 0.00 0.02 -0.71 -1.83 113.55 109.85 2jbx h SER 89 Ca -0.02 -0.29 0.11 0.00 -0.84 0.00 0.00 61.79 60.75 2jbx h SER 89 Cb 0.20 0.05 -0.12 0.00 0.14 0.00 0.00 62.40 62.67 2jbx h SER 89 CO 0.04 0.23 -0.27 0.52 -1.14 0.00 0.00 176.83 176.21 2jbx n VAL 90 N -5.01 -0.37 -0.07 2.27 0.31 -0.41 0.22 118.33 115.28 2jbx n VAL 90 Ca -0.09 1.66 -0.02 0.00 -0.01 0.00 0.00 64.34 65.89 2jbx n VAL 90 Cb 0.25 -2.21 0.23 0.00 -0.91 0.00 0.00 33.84 31.20 2jbx n VAL 90 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2jbx h ILE 91 N 0.00 1.22 -0.17 2.52 2.04 -0.99 -2.41 117.51 119.72 2jbx h ILE 91 Ca 0.26 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2jbx h ILE 91 Cb 0.44 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2jbx h ILE 91 CO -0.71 0.30 0.11 0.11 0.00 0.00 0.00 178.15 177.96 2jbx h LYS 92 N 0.66 0.22 -0.43 2.37 1.79 0.36 -0.98 116.57 120.55 2jbx h LYS 92 Ca 0.14 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 2jbx h LYS 92 Cb 0.35 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 2jbx h LYS 92 CO 0.01 0.15 0.15 0.87 -1.08 0.00 0.00 179.45 179.55 2jbx h LYS 93 N 0.22 0.66 -0.79 3.15 1.79 -1.10 -2.64 116.57 117.85 2jbx h LYS 93 Ca 0.06 -0.13 0.16 0.00 -2.18 0.00 0.00 60.65 58.56 2jbx h LYS 93 Cb -0.02 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.48 2jbx h LYS 93 CO -0.01 0.63 0.53 -0.07 -1.08 0.00 0.00 179.45 179.45 2jbx h LEU 94 N 0.55 0.40 -0.73 2.94 3.38 -1.28 -1.71 115.31 118.85 2jbx h LEU 94 Ca 0.14 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2jbx h LEU 94 Cb 0.24 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2jbx h LEU 94 CO -0.01 0.19 -0.03 0.78 0.09 0.00 0.00 178.44 179.47 2jbx h ASN 95 N 0.42 0.92 0.09 -0.43 2.35 -0.81 -1.17 115.58 116.95 2jbx h ASN 95 Ca 0.39 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2jbx h ASN 95 Cb 0.92 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.05 2jbx h ASN 95 CO -0.13 0.99 0.00 0.29 -1.65 0.00 0.00 177.43 176.93 2jbx n LYS 96 N -4.18 0.37 0.00 0.81 5.02 -0.65 -3.12 118.16 116.40 2jbx n LYS 96 Ca 0.02 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2jbx n LYS 96 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2jbx n LYS 96 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2jbx n ILE 97 N -1.10 0.00 -3.16 -0.18 5.41 -1.10 -5.03 119.36 114.20 2jbx n ILE 97 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.89 2jbx n ILE 97 Cb 0.07 -0.18 -0.04 0.00 -0.71 0.00 0.00 39.64 38.78 2jbx n ILE 97 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2jbx s GLN 98 N -1.56 0.02 -0.15 0.38 0.74 -0.46 -5.11 119.66 113.52 2jbx s GLN 98 Ca 0.00 0.04 -0.34 0.00 0.05 0.00 0.00 55.36 55.11 2jbx s GLN 98 Cb 0.00 0.02 -0.16 0.00 1.10 0.00 0.00 33.01 33.97 2jbx s GLN 98 CO 0.00 -0.01 1.03 1.58 -0.55 0.00 0.00 175.29 177.34 2jbx n HIS 99 N 4.58 0.86 -3.66 1.67 -0.00 -1.24 -4.08 115.22 113.34 2jbx n HIS 99 Ca -0.06 0.88 -0.25 0.00 -0.00 0.00 0.00 57.72 58.29 2jbx n HIS 99 Cb 0.56 -1.73 -0.17 0.00 -0.00 0.00 0.00 29.99 28.65 2jbx n HIS 99 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2jbx s THR 100 N 0.92 0.10 0.05 3.57 2.01 -1.26 -4.96 115.64 116.07 2jbx s THR 100 Ca 0.78 -0.15 -0.28 0.00 0.31 0.00 0.00 61.69 62.35 2jbx s THR 100 Cb -1.10 -0.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 2jbx s THR 100 CO 0.54 -0.15 0.87 -0.62 -0.69 0.00 0.00 174.62 174.56 2jbx s ASP 101 N 2.06 7.33 0.47 3.53 -1.08 -1.26 -4.80 116.67 122.92 2jbx s ASP 101 Ca 0.02 1.59 0.36 0.00 -0.52 0.00 0.00 52.55 54.00 2jbx s ASP 101 Cb -0.15 -2.52 1.53 0.00 -1.46 0.00 0.00 42.92 40.32 2jbx s ASP 101 CO -0.08 -0.07 1.59 0.00 0.52 0.00 0.00 175.17 177.14 2jbx h ALA 102 N 5.89 3.03 0.00 3.66 0.00 -1.93 -3.39 119.26 126.51 2jbx h ALA 102 Ca -0.43 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jbx h ALA 102 Cb 1.21 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2jbx h ALA 102 CO 0.72 -1.69 0.37 0.00 0.00 0.00 0.00 179.25 178.66 2jbx n ALA 103 N -2.61 0.71 0.00 0.00 0.00 -1.26 -3.67 120.51 113.68 2jbx n ALA 103 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2jbx n ALA 103 Cb 1.63 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2jbx n ALA 103 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jbx n PHE 105 N 2.65 0.00 -0.25 0.00 3.01 -1.26 -4.72 117.46 116.89 2jbx n PHE 105 Ca 0.00 0.00 0.28 0.00 1.01 0.00 0.00 57.45 58.74 2jbx n PHE 105 Cb 0.00 0.00 0.66 0.00 -0.01 0.00 0.00 39.48 40.13 2jbx n PHE 105 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2jbx h SER 106 N 0.00 0.14 -0.08 4.37 4.64 -1.94 0.55 113.55 121.24 2jbx h SER 106 Ca 0.00 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2jbx h SER 106 Cb 0.00 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jbx h SER 106 CO 0.00 0.04 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.58 2jbx h GLU 107 N 0.13 0.20 -0.57 4.77 3.07 -1.93 -0.50 114.58 119.74 2jbx h GLU 107 Ca 0.49 -0.11 0.09 0.00 -0.50 0.00 0.00 59.36 59.33 2jbx h GLU 107 Cb 1.72 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 29.57 2jbx h GLU 107 CO -0.08 0.64 0.20 0.28 -1.40 0.00 0.00 179.01 178.65 2jbx h VAL 108 N -0.23 0.78 -0.36 3.13 2.07 -1.47 -0.68 116.25 119.49 2jbx h VAL 108 Ca 0.01 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2jbx h VAL 108 Cb 0.61 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2jbx h VAL 108 CO 0.02 0.07 0.15 0.40 0.02 0.00 0.00 177.57 178.23 2jbx h ILE 109 N 0.38 0.93 -0.88 4.57 2.04 -0.80 -0.28 117.51 123.46 2jbx h ILE 109 Ca 0.28 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 66.08 2jbx h ILE 109 Cb 0.34 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 2jbx h ILE 109 CO -0.29 0.06 0.56 0.44 0.00 0.00 0.00 178.15 178.92 2jbx h ASP 110 N 0.31 0.91 0.54 1.72 3.45 -0.75 0.51 116.42 123.11 2jbx h ASP 110 Ca 0.16 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 2jbx h ASP 110 Cb 0.11 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 38.68 2jbx h ASP 110 CO -0.14 0.61 -0.07 1.23 -1.57 0.00 0.00 179.24 179.30 2jbx h GLY 111 N 1.06 0.00 1.04 2.75 0.00 -0.23 -0.09 103.07 107.59 2jbx h GLY 111 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.36 2jbx h GLY 111 CO -0.14 0.00 -1.67 -2.22 0.00 0.00 0.00 176.54 172.50 2jbx h ILE 112 N 0.00 1.03 0.00 2.60 2.04 0.16 -3.37 117.51 119.97 2jbx h ILE 112 Ca -0.00 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.27 2jbx h ILE 112 Cb 0.36 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2jbx h ILE 112 CO 0.01 0.84 -0.67 1.33 0.00 0.00 0.00 178.15 179.67 2jbx n VAL 113 N -3.59 0.05 -1.56 1.67 0.24 0.38 -4.90 118.33 110.62 2jbx n VAL 113 Ca -0.22 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.34 61.64 2jbx n VAL 113 Cb 1.08 0.34 0.04 0.00 -1.47 0.00 0.00 33.84 33.83 2jbx n VAL 113 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jbx n ALA 114 N -1.57 -0.32 -3.60 2.33 0.00 -0.08 -2.24 120.51 115.04 2jbx n ALA 114 Ca 0.05 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 2jbx n ALA 114 Cb 0.36 -2.00 0.07 0.00 0.00 0.00 0.00 19.45 17.88 2jbx n ALA 114 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jbx n GLU 115 N -0.49 -6.75 -0.17 0.00 1.02 -1.26 -4.83 120.64 108.16 2jbx n GLU 115 Ca 0.12 0.78 0.24 0.00 -0.02 0.00 0.00 57.16 58.28 2jbx n GLU 115 Cb 0.46 -5.73 0.64 0.00 -0.02 0.00 0.00 31.44 26.80 2jbx n GLU 115 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2jbx h GLU 116 N -2.23 0.14 -0.07 3.49 9.09 -1.82 -2.01 114.58 121.18 2jbx h GLU 116 Ca -0.58 -0.01 -0.13 0.00 0.05 0.00 0.00 59.36 58.68 2jbx h GLU 116 Cb 1.36 -0.03 0.01 0.00 -1.65 0.00 0.00 28.75 28.43 2jbx h GLU 116 CO 0.56 0.09 -0.48 0.37 0.05 0.00 0.00 179.01 179.60 2jbx h GLN 117 N 0.14 0.44 -0.88 1.06 5.75 -1.88 -0.15 115.11 119.60 2jbx h GLN 117 Ca 0.41 -0.39 0.10 0.00 -0.15 0.00 0.00 58.65 58.63 2jbx h GLN 117 Cb 1.39 0.09 -0.06 0.00 1.07 0.00 0.00 27.48 29.96 2jbx h GLN 117 CO -0.07 1.03 0.57 0.37 -2.65 0.00 0.00 178.83 178.08 2jbx h GLN 118 N -0.01 0.82 0.37 1.69 5.75 -1.74 0.28 115.11 122.27 2jbx h GLN 118 Ca -0.04 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 2jbx h GLN 118 Cb 1.14 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.51 2jbx h GLN 118 CO 0.10 0.54 -0.18 0.28 -2.65 0.00 0.00 178.83 176.92 2jbx h VAL 119 N 0.84 0.39 -1.01 2.39 2.07 -1.35 -1.72 116.25 117.85 2jbx h VAL 119 Ca 0.41 -0.68 0.24 0.00 0.82 0.00 0.00 66.70 67.50 2jbx h VAL 119 Cb 0.46 0.60 -0.11 0.00 -1.52 0.00 0.00 31.29 30.72 2jbx h VAL 119 CO -0.18 0.08 0.62 0.40 0.02 0.00 0.00 177.57 178.52 2jbx h ILE 120 N -1.00 0.57 0.32 4.57 2.04 -0.96 -1.49 117.51 121.57 2jbx h ILE 120 Ca -0.05 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2jbx h ILE 120 Cb 0.52 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 2jbx h ILE 120 CO 0.08 0.10 -0.52 1.23 0.00 0.00 0.00 178.15 179.04 2jbx h GLY 121 N 0.55 -1.22 0.32 5.37 0.00 -0.30 -2.22 103.07 105.56 2jbx h GLY 121 Ca 0.61 0.62 0.07 0.00 0.00 0.00 0.00 47.33 48.63 2jbx h GLY 121 CO -0.39 -0.32 -0.08 -2.75 0.00 0.00 0.00 176.54 172.99 2jbx h PHE 122 N -0.89 -0.17 -0.52 5.60 3.57 -0.35 -0.26 116.94 123.91 2jbx h PHE 122 Ca -0.04 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2jbx h PHE 122 Cb 0.83 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 2jbx h PHE 122 CO -0.36 -0.14 0.34 0.82 -2.23 0.00 0.00 178.31 176.74 2jbx h ILE 123 N 0.01 1.13 0.15 1.41 2.04 -1.38 -1.94 117.51 118.93 2jbx h ILE 123 Ca 0.17 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2jbx h ILE 123 Cb 0.25 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2jbx h ILE 123 CO -0.35 0.13 -0.07 1.56 0.00 0.00 0.00 178.15 179.41 2jbx h GLN 124 N 0.70 -0.20 0.06 2.37 4.20 -0.95 -3.39 115.11 117.90 2jbx h GLN 124 Ca 0.19 0.01 -0.25 0.00 0.06 0.00 0.00 58.65 58.67 2jbx h GLN 124 Cb -0.08 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2jbx h GLN 124 CO -0.04 -0.13 -1.08 0.87 -0.67 0.00 0.00 178.83 177.78 2jbx h LYS 125 N -0.37 0.35 0.00 1.46 1.57 -1.20 -3.48 116.57 114.90 2jbx h LYS 125 Ca -0.02 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2jbx h LYS 125 Cb 0.16 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jbx h LYS 125 CO 0.03 1.15 0.00 1.63 -0.57 0.00 0.00 179.45 181.70 2jbx n LYS 126 N -3.66 3.90 -3.30 3.15 5.02 -0.74 -4.84 118.16 117.69 2jbx n LYS 126 Ca -0.08 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.04 2jbx n LYS 126 Cb 0.92 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.99 2jbx n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jbx n LYS 128 N -3.86 0.00 0.00 0.00 -0.00 -1.26 -4.80 118.16 108.24 2jbx n LYS 128 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2jbx n LYS 128 Cb 0.56 -0.44 0.00 0.00 -0.00 0.00 0.00 35.03 35.14 2jbx n LYS 128 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06