#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb0 h GLN 2 N 0.00 0.54 -6.12 0.03 4.20 -2.01 -3.43 115.11 108.32 2kb0 h GLN 2 Ca 0.00 -0.09 -0.57 0.00 0.06 0.00 0.00 58.65 58.05 2kb0 h GLN 2 Cb 0.00 -0.09 -0.24 0.00 0.30 0.00 0.00 27.48 27.45 2kb0 h GLN 2 CO 0.00 0.51 -0.83 0.99 -0.67 0.00 0.00 178.83 178.83 2kb0 s THR 3 N -5.10 1.68 -0.21 -0.54 2.01 -1.26 -4.59 115.64 107.64 2kb0 s THR 3 Ca -0.08 -1.37 -0.02 0.00 0.31 0.00 0.00 61.69 60.54 2kb0 s THR 3 Cb 0.16 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 71.18 2kb0 s THR 3 CO 0.76 0.07 -0.10 -0.63 -0.69 0.00 0.00 174.62 174.03 2kb0 s ILE 4 N -0.98 2.83 -0.12 1.82 1.01 -1.24 -5.08 121.20 119.45 2kb0 s ILE 4 Ca 0.07 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.80 2kb0 s ILE 4 Cb -0.09 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2kb0 s ILE 4 CO 0.03 0.45 0.61 -0.54 0.00 0.00 0.00 174.94 175.49 2kb0 s LYS 5 N 1.39 4.35 -0.07 2.79 1.02 -1.26 -3.88 119.74 124.08 2kb0 s LYS 5 Ca 0.05 0.68 -0.00 0.00 0.02 0.00 0.00 55.97 56.72 2kb0 s LYS 5 Cb -0.14 -3.48 0.02 0.00 -0.52 0.00 0.00 37.83 33.72 2kb0 s LYS 5 CO -0.07 0.02 -0.04 0.00 -0.92 0.00 0.00 175.35 174.34 2kb0 s VAL 7 N 1.47 3.07 -0.09 0.00 1.01 -1.25 -2.76 120.40 121.85 2kb0 s VAL 7 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2kb0 s VAL 7 Cb -0.13 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2kb0 s VAL 7 CO -0.03 0.58 -0.08 -0.69 0.00 0.00 0.00 175.10 174.87 2kb0 s VAL 8 N -0.55 3.54 -0.02 2.92 1.01 -1.24 -1.96 120.40 124.10 2kb0 s VAL 8 Ca 0.08 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2kb0 s VAL 8 Cb -0.12 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.80 2kb0 s VAL 8 CO 0.01 0.56 -0.08 -0.69 0.00 0.00 0.00 175.10 174.91 2kb0 s VAL 9 N -0.34 0.68 0.01 2.92 1.01 -0.87 -4.85 120.40 118.95 2kb0 s VAL 9 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2kb0 s VAL 9 Cb -0.12 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 2kb0 s VAL 9 CO 0.02 0.21 -0.02 -0.83 0.00 0.00 0.00 175.10 174.49 2kb0 s GLY 10 N 0.16 0.11 -0.57 4.51 0.00 -1.26 -3.39 107.32 106.89 2kb0 s GLY 10 Ca -0.02 -0.19 -0.25 0.00 0.00 0.00 0.00 44.72 44.26 2kb0 s GLY 10 CO 0.00 -0.20 1.01 -0.35 0.00 0.00 0.00 173.10 173.56 2kb0 s ASP 11 N -0.37 6.34 -0.97 1.64 2.15 -1.26 -4.36 116.67 119.84 2kb0 s ASP 11 Ca -0.03 -0.33 -0.13 0.00 0.43 0.00 0.00 52.55 52.50 2kb0 s ASP 11 Cb -0.03 -2.46 0.01 0.00 -0.30 0.00 0.00 42.92 40.15 2kb0 s ASP 11 CO -0.00 -1.32 0.65 0.61 -0.17 0.00 0.00 175.17 174.93 2kb0 n GLY 12 N 5.14 -1.14 3.71 2.66 0.00 -1.26 -4.85 105.19 109.45 2kb0 n GLY 12 Ca 0.03 0.50 -0.41 0.00 0.00 0.00 0.00 46.02 46.14 2kb0 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb0 s ALA 13 N -3.19 3.21 0.13 4.61 0.00 -1.26 -4.94 121.76 120.31 2kb0 s ALA 13 Ca 0.19 0.45 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 2kb0 s ALA 13 Cb -0.10 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 2kb0 s ALA 13 CO 0.91 -0.19 1.70 0.28 0.00 0.00 0.00 175.76 178.47 2kb0 h VAL 14 N 4.75 1.17 -1.83 0.00 2.07 -2.00 -3.09 116.25 117.31 2kb0 h VAL 14 Ca -0.41 -0.49 -0.67 0.00 0.82 0.00 0.00 66.70 65.95 2kb0 h VAL 14 Cb 1.21 0.82 -0.35 0.00 -1.52 0.00 0.00 31.29 31.45 2kb0 h VAL 14 CO 0.75 0.18 0.07 0.61 0.02 0.00 0.00 177.57 179.20 2kb0 n GLY 15 N -0.86 5.81 0.36 2.17 0.00 -1.26 -4.78 105.19 106.62 2kb0 n GLY 15 Ca -0.01 -2.65 -0.04 0.00 0.00 0.00 0.00 46.02 43.32 2kb0 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kb0 h LYS 16 N 2.91 1.24 0.01 1.61 3.64 -1.94 -2.10 116.57 121.94 2kb0 h LYS 16 Ca 0.40 -0.15 -0.23 0.00 -1.27 0.00 0.00 60.65 59.40 2kb0 h LYS 16 Cb 0.50 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2kb0 h LYS 16 CO 1.08 0.92 -0.95 1.79 -2.27 0.00 0.00 179.45 180.02 2kb0 h THR 17 N 1.24 1.41 -0.09 1.00 1.35 -1.88 -3.20 112.91 112.73 2kb0 h THR 17 Ca 0.31 -2.49 -0.05 0.00 -0.55 0.00 0.00 66.41 63.63 2kb0 h THR 17 Cb 0.05 2.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.91 2kb0 h THR 17 CO -0.05 0.74 -0.15 0.00 -0.25 0.00 0.00 175.52 175.81 2kb0 h LEU 19 N 0.13 0.80 -0.32 0.00 5.85 -1.39 -0.92 115.31 119.47 2kb0 h LEU 19 Ca 0.03 -0.38 -0.16 0.00 0.84 0.00 0.00 57.88 58.21 2kb0 h LEU 19 Cb 0.36 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2kb0 h LEU 19 CO 0.02 1.00 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.63 2kb0 h LEU 20 N 0.60 0.92 -0.89 2.25 3.38 -1.52 -3.09 115.31 116.95 2kb0 h LEU 20 Ca 0.10 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 2kb0 h LEU 20 Cb 0.67 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2kb0 h LEU 20 CO 0.05 1.23 -0.08 0.40 0.09 0.00 0.00 178.44 180.13 2kb0 h ILE 21 N 0.62 1.25 -0.05 1.22 2.04 -1.24 -1.58 117.51 119.77 2kb0 h ILE 21 Ca 0.04 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 2kb0 h ILE 21 Cb 1.02 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2kb0 h ILE 21 CO 0.10 0.37 0.01 0.77 0.00 0.00 0.00 178.15 179.40 2kb0 h SER 22 N 0.68 0.06 0.00 1.72 4.64 -1.09 0.50 113.55 120.05 2kb0 h SER 22 Ca 0.12 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2kb0 h SER 22 Cb 0.53 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2kb0 h SER 22 CO 0.03 0.06 -0.33 0.22 -0.87 0.00 0.00 176.83 175.94 2kb0 h TYR 23 N 0.07 0.00 -0.54 4.77 3.20 -1.35 -3.01 116.97 120.10 2kb0 h TYR 23 Ca 0.02 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 2kb0 h TYR 23 Cb 0.03 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2kb0 h TYR 23 CO 0.00 1.10 -0.07 1.79 -1.64 0.00 0.00 178.16 179.35 2kb0 h THR 24 N -1.00 1.27 0.00 1.81 1.35 -1.12 -3.42 112.91 111.80 2kb0 h THR 24 Ca -0.09 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 2kb0 h THR 24 Cb 1.06 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2kb0 h THR 24 CO -0.06 0.43 0.00 0.41 -0.25 0.00 0.00 175.52 176.05 2kb0 n THR 25 N -4.20 0.00 0.00 6.82 -1.04 0.17 -5.07 114.28 110.96 2kb0 n THR 25 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2kb0 n THR 25 Cb 0.38 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 2kb0 n THR 25 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2kb0 n ASN 26 N -0.45 0.00 -4.53 8.00 5.15 -1.09 -4.95 115.26 117.38 2kb0 n ASN 26 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 2kb0 n ASN 26 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 2kb0 n ASN 26 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2kb0 s LYS 27 N 0.00 3.32 0.17 1.20 1.02 -1.26 -4.87 119.74 119.31 2kb0 s LYS 27 Ca 0.00 -0.22 -0.11 0.00 0.02 0.00 0.00 55.97 55.66 2kb0 s LYS 27 Cb 0.00 -4.09 0.06 0.00 -0.52 0.00 0.00 37.83 33.27 2kb0 s LYS 27 CO 0.00 -1.71 1.65 0.74 -0.92 0.00 0.00 175.35 175.12 2kb0 h PHE 28 N 9.54 1.03 -0.37 3.18 0.04 -1.88 -2.85 116.94 125.62 2kb0 h PHE 28 Ca -0.27 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.37 2kb0 h PHE 28 Cb 1.06 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.91 2kb0 h PHE 28 CO 0.99 0.90 0.25 -1.35 -0.60 0.00 0.00 178.31 178.50 2kb0 h PRO 29 N 0.86 0.43 -2.37 1.51 0.11 -1.92 -3.46 132.00 127.16 2kb0 h PRO 29 Ca 0.17 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.16 2kb0 h PRO 29 Cb 0.44 -0.10 0.04 0.00 0.11 0.00 0.00 31.00 31.48 2kb0 h PRO 29 CO 0.01 0.29 -0.18 0.45 -0.21 0.00 0.00 178.00 178.37 2kb0 n SER 30 N -4.48 -2.86 -4.20 -2.05 2.88 -1.08 -4.77 113.62 97.06 2kb0 n SER 30 Ca 0.03 -0.14 -0.06 0.00 -1.33 0.00 0.00 58.87 57.37 2kb0 n SER 30 Cb 0.11 -1.64 -0.06 0.00 -0.75 0.00 0.00 64.21 61.87 2kb0 n SER 30 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kb0 n GLU 31 N -1.67 0.04 -0.75 -1.46 1.02 -1.26 -1.96 120.64 114.61 2kb0 n GLU 31 Ca -0.01 -0.38 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 2kb0 n GLU 31 Cb 0.52 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2kb0 n GLU 31 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2kb0 n TYR 32 N 8.36 0.00 -1.37 -0.32 9.36 -1.26 -5.01 117.16 126.91 2kb0 n TYR 32 Ca 0.19 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 61.01 2kb0 n TYR 32 Cb 0.45 -0.75 0.02 0.00 -0.63 0.00 0.00 39.34 38.43 2kb0 n TYR 32 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 2kb0 n VAL 33 N -0.46 1.24 -2.39 2.97 0.24 -0.83 -4.88 118.33 114.22 2kb0 n VAL 33 Ca 0.00 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.42 2kb0 n VAL 33 Cb 0.21 -0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 2kb0 n VAL 33 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2kb0 s PRO 34 N -1.51 4.14 0.00 7.34 0.04 -1.26 -4.94 135.00 138.81 2kb0 s PRO 34 Ca 0.63 1.73 0.28 0.00 0.04 0.00 0.00 61.00 63.68 2kb0 s PRO 34 Cb -0.51 -2.68 1.49 0.00 0.04 0.00 0.00 34.50 32.84 2kb0 s PRO 34 CO 0.60 -0.22 1.98 0.00 0.04 0.00 0.00 177.00 179.40 2kb0 n ALA 35 N 0.13 2.64 -2.62 8.56 0.00 -1.26 -4.81 120.51 123.15 2kb0 n ALA 35 Ca 0.04 -0.27 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 2kb0 n ALA 35 Cb 0.47 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 2kb0 n ALA 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2kb0 s VAL 36 N -1.98 3.87 -0.48 0.00 -7.23 -1.26 -5.00 120.40 108.31 2kb0 s VAL 36 Ca 0.41 -0.56 0.15 0.00 -1.81 0.00 0.00 61.98 60.17 2kb0 s VAL 36 Cb 0.20 -2.65 0.48 0.00 0.56 0.00 0.00 36.38 34.97 2kb0 s VAL 36 CO 0.33 0.49 1.39 0.49 -0.31 0.00 0.00 175.10 177.49 2kb0 n PHE 37 N 1.83 0.86 -1.90 2.82 3.72 -1.26 -5.00 117.46 118.52 2kb0 n PHE 37 Ca -0.17 -0.73 -0.42 0.00 -0.05 0.00 0.00 57.45 56.08 2kb0 n PHE 37 Cb 0.53 -0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 2kb0 n PHE 37 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2kb0 s ASP 38 N -1.52 6.56 0.56 4.37 2.15 -1.26 -4.96 116.67 122.57 2kb0 s ASP 38 Ca 0.37 2.63 -0.19 0.00 0.43 0.00 0.00 52.55 55.79 2kb0 s ASP 38 Cb 0.27 -2.59 -0.05 0.00 -0.30 0.00 0.00 42.92 40.25 2kb0 s ASP 38 CO 0.12 -0.86 1.12 0.20 -0.17 0.00 0.00 175.17 175.58 2kb0 s ASN 39 N 1.39 5.67 0.11 -0.34 0.01 -1.26 -5.05 114.94 115.47 2kb0 s ASN 39 Ca 0.71 2.11 0.07 0.00 -0.71 0.00 0.00 52.86 55.04 2kb0 s ASN 39 Cb -0.44 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.61 2kb0 s ASN 39 CO 0.32 -1.25 -0.16 -0.31 -1.51 0.00 0.00 177.10 174.18 2kb0 s TYR 40 N -1.91 1.52 -0.00 2.20 2.02 -1.26 -5.10 117.35 114.81 2kb0 s TYR 40 Ca 0.71 -0.49 -0.00 0.00 -0.37 0.00 0.00 57.07 56.92 2kb0 s TYR 40 Cb -0.22 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.49 2kb0 s TYR 40 CO 0.29 0.17 0.08 0.00 -1.57 0.00 0.00 175.55 174.52 2kb0 s ALA 41 N -1.69 3.57 0.06 3.71 0.00 -1.26 -3.97 121.76 122.17 2kb0 s ALA 41 Ca 0.07 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.21 2kb0 s ALA 41 Cb -0.07 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2kb0 s ALA 41 CO 0.04 0.69 -0.16 0.14 0.00 0.00 0.00 175.76 176.46 2kb0 s VAL 42 N -1.19 1.30 0.02 0.00 -7.23 -0.75 -5.01 120.40 107.54 2kb0 s VAL 42 Ca 0.23 -1.18 0.09 0.00 -1.81 0.00 0.00 61.98 59.30 2kb0 s VAL 42 Cb -0.12 -1.18 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 2kb0 s VAL 42 CO 0.14 -0.02 -0.26 -0.89 -0.31 0.00 0.00 175.10 173.77 2kb0 s THR 43 N -0.97 2.05 0.21 5.32 2.01 -1.26 -2.18 115.64 120.81 2kb0 s THR 43 Ca 0.03 -1.25 0.09 0.00 0.31 0.00 0.00 61.69 60.87 2kb0 s THR 43 Cb -0.09 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.65 2kb0 s THR 43 CO 0.02 0.44 -0.17 0.68 -0.69 0.00 0.00 174.62 174.90 2kb0 s VAL 44 N -0.71 1.94 -0.05 3.82 -7.23 -0.98 -5.01 120.40 112.18 2kb0 s VAL 44 Ca 0.11 -2.18 0.03 0.00 -1.81 0.00 0.00 61.98 58.12 2kb0 s VAL 44 Cb -0.10 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 2kb0 s VAL 44 CO 0.01 -0.47 -0.11 -0.04 -0.31 0.00 0.00 175.10 174.18 2kb0 s MET 45 N -3.38 2.58 0.03 4.82 -1.94 -1.26 -2.69 119.30 117.46 2kb0 s MET 45 Ca 0.22 -0.65 0.08 0.00 -1.71 0.00 0.00 55.69 53.63 2kb0 s MET 45 Cb -0.03 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 2kb0 s MET 45 CO 0.09 0.63 -0.24 0.42 -0.01 0.00 0.00 175.02 175.91 2kb0 s ILE 46 N -0.80 1.91 0.56 2.53 1.01 -1.23 -4.98 121.20 120.19 2kb0 s ILE 46 Ca 0.13 -1.25 0.38 0.00 0.00 0.00 0.00 60.65 59.90 2kb0 s ILE 46 Cb -0.11 -1.63 0.56 0.00 0.01 0.00 0.00 42.46 41.29 2kb0 s ILE 46 CO 0.02 0.33 1.73 1.23 0.00 0.00 0.00 174.94 178.25 2kb0 h GLY 47 N 4.95 0.00 0.00 6.18 0.00 -2.04 -3.18 103.07 108.99 2kb0 h GLY 47 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2kb0 h GLY 47 CO 0.44 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.59 2kb0 n GLY 48 N -1.77 1.77 3.31 4.60 0.00 -1.26 -5.03 105.19 106.81 2kb0 n GLY 48 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 2kb0 n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb0 s GLU 49 N 0.01 1.22 0.23 1.61 8.01 -1.20 -5.13 118.70 123.46 2kb0 s GLU 49 Ca 0.00 -1.42 -0.30 0.00 0.01 0.00 0.00 54.97 53.26 2kb0 s GLU 49 Cb 0.00 -1.14 -0.09 0.00 -4.31 0.00 0.00 34.13 28.59 2kb0 s GLU 49 CO 0.00 0.21 1.11 -1.25 0.01 0.00 0.00 175.26 175.34 2kb0 s PRO 50 N -3.05 4.61 0.09 0.39 0.04 -1.26 -3.54 135.00 132.27 2kb0 s PRO 50 Ca 0.16 1.78 0.05 0.00 0.04 0.00 0.00 61.00 63.02 2kb0 s PRO 50 Cb -0.04 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 2kb0 s PRO 50 CO 0.06 0.14 -0.13 0.71 0.04 0.00 0.00 177.00 177.82 2kb0 s TYR 51 N -0.74 1.17 0.24 0.56 1.51 -1.10 -4.97 117.35 114.03 2kb0 s TYR 51 Ca 0.47 -0.53 0.11 0.00 -1.01 0.00 0.00 57.07 56.11 2kb0 s TYR 51 Cb -0.31 -0.65 -0.05 0.00 -0.11 0.00 0.00 41.96 40.85 2kb0 s TYR 51 CO 0.38 0.05 -0.15 0.95 -1.11 0.00 0.00 175.55 175.67 2kb0 s THR 52 N -1.73 2.75 0.14 -0.71 -4.23 -1.26 -2.32 115.64 108.28 2kb0 s THR 52 Ca 0.01 -2.12 -0.24 0.00 -1.18 0.00 0.00 61.69 58.16 2kb0 s THR 52 Cb -0.07 -2.41 0.07 0.00 1.34 0.00 0.00 72.50 71.43 2kb0 s THR 52 CO 0.02 -0.29 0.65 -1.48 -0.54 0.00 0.00 174.62 172.98 2kb0 s LEU 53 N -3.26 -0.53 0.05 4.79 2.34 -0.93 -3.61 118.68 117.54 2kb0 s LEU 53 Ca 0.27 -0.02 -0.03 0.00 0.06 0.00 0.00 54.13 54.41 2kb0 s LEU 53 Cb -0.06 2.51 -0.02 0.00 -0.56 0.00 0.00 46.19 48.05 2kb0 s LEU 53 CO 0.15 -0.92 0.04 -0.83 -1.06 0.00 0.00 176.35 173.72 2kb0 s GLY 54 N -2.71 0.32 -0.18 -3.48 0.00 -1.25 -1.80 107.32 98.21 2kb0 s GLY 54 Ca 0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 44.72 43.77 2kb0 s GLY 54 CO -0.12 -1.04 0.02 1.08 0.00 0.00 0.00 173.10 173.04 2kb0 s LEU 55 N -2.65 3.56 -0.08 0.66 1.43 -1.25 -3.71 118.68 116.63 2kb0 s LEU 55 Ca 0.03 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 2kb0 s LEU 55 Cb 0.04 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2kb0 s LEU 55 CO -0.09 0.16 -0.17 0.12 0.23 0.00 0.00 176.35 176.60 2kb0 s PHE 56 N 0.47 2.66 0.17 0.29 5.36 -1.11 -4.65 117.98 121.16 2kb0 s PHE 56 Ca 0.00 -0.51 -0.01 0.00 -0.96 0.00 0.00 56.93 55.46 2kb0 s PHE 56 Cb -0.13 -1.69 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 2kb0 s PHE 56 CO 0.02 -0.08 0.09 0.16 -1.46 0.00 0.00 175.22 173.95 2kb0 s ASP 57 N -0.18 0.31 0.47 6.13 1.47 -1.26 -3.67 116.67 119.94 2kb0 s ASP 57 Ca -0.01 -1.29 -0.15 0.00 1.18 0.00 0.00 52.55 52.28 2kb0 s ASP 57 Cb -0.13 0.32 -0.08 0.00 -0.34 0.00 0.00 42.92 42.69 2kb0 s ASP 57 CO 0.03 -0.77 0.90 0.42 0.68 0.00 0.00 175.17 176.43 2kb0 s THR 58 N -4.07 4.61 -0.21 2.11 -4.23 -1.26 -4.97 115.64 107.62 2kb0 s THR 58 Ca 0.31 1.03 0.14 0.00 -1.18 0.00 0.00 61.69 61.99 2kb0 s THR 58 Cb 0.07 -3.71 0.46 0.00 1.34 0.00 0.00 72.50 70.66 2kb0 s THR 58 CO 0.07 -0.59 1.36 0.00 -0.54 0.00 0.00 174.62 174.92 2kb0 n ALA 59 N -1.38 3.41 -0.10 3.99 0.00 -1.26 -5.04 120.51 120.12 2kb0 n ALA 59 Ca 0.05 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 50.70 2kb0 n ALA 59 Cb 0.54 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.37 2kb0 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb0 n GLY 60 N -0.99 -0.86 3.30 0.00 0.00 -1.26 -5.00 105.19 100.38 2kb0 n GLY 60 Ca 0.24 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 2kb0 n GLY 60 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kb0 s GLN 61 N -3.87 2.84 0.00 1.61 2.00 -1.26 -4.94 119.66 116.05 2kb0 s GLN 61 Ca 0.00 -1.03 0.00 0.00 -2.00 0.00 0.00 55.36 52.33 2kb0 s GLN 61 Cb 0.00 -3.40 0.00 0.00 0.80 0.00 0.00 33.01 30.41 2kb0 s GLN 61 CO 0.00 -0.55 0.00 0.39 -0.50 0.00 0.00 175.29 174.63 2kb0 n GLU 62 N 4.83 0.00 -0.18 1.67 1.02 -1.26 -4.96 120.64 121.76 2kb0 n GLU 62 Ca -0.14 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.04 2kb0 n GLU 62 Cb 0.46 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 32.01 2kb0 n GLU 62 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kb0 n ASP 63 N 0.00 1.75 0.00 1.62 8.00 -1.26 -3.79 116.55 122.87 2kb0 n ASP 63 Ca 0.00 -2.07 0.13 0.00 0.71 0.00 0.00 54.79 53.56 2kb0 n ASP 63 Cb 0.00 -0.27 0.64 0.00 -0.02 0.00 0.00 41.12 41.47 2kb0 n ASP 63 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kb0 n TYR 64 N 0.29 0.00 -4.15 1.24 4.01 -1.26 -4.89 117.16 112.39 2kb0 n TYR 64 Ca 0.09 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.53 2kb0 n TYR 64 Cb 0.31 -0.36 -0.04 0.00 -0.31 0.00 0.00 39.34 38.94 2kb0 n TYR 64 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2kb0 n ASP 65 N -1.36 -0.93 0.27 7.72 8.00 -1.25 -4.75 116.55 124.25 2kb0 n ASP 65 Ca 0.11 -1.09 0.18 0.00 0.71 0.00 0.00 54.79 54.70 2kb0 n ASP 65 Cb 0.25 -2.54 0.93 0.00 -0.02 0.00 0.00 41.12 39.74 2kb0 n ASP 65 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2kb0 h ARG 66 N -1.67 0.00 -0.11 -1.24 3.08 -1.90 0.27 114.38 112.81 2kb0 h ARG 66 Ca -0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.43 2kb0 h ARG 66 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2kb0 h ARG 66 CO 0.71 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.89 2kb0 n LEU 67 N -3.49 0.69 -0.21 3.04 4.77 -1.26 -4.29 117.00 116.24 2kb0 n LEU 67 Ca -0.01 -0.32 -0.02 0.00 -0.03 0.00 0.00 56.01 55.63 2kb0 n LEU 67 Cb 0.25 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2kb0 n LEU 67 CO 0.23 0.16 0.69 -0.09 -1.33 0.00 0.00 177.39 177.06 2kb0 h ARG 68 N 0.81 -0.07 0.00 3.23 2.43 -0.80 -3.37 114.38 116.62 2kb0 h ARG 68 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kb0 h ARG 68 Cb 0.18 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2kb0 h ARG 68 CO 0.00 -0.05 0.00 -0.35 -1.51 0.00 0.00 179.97 178.06 2kb0 n PRO 69 N -5.44 0.00 0.00 0.20 -0.04 -1.26 -5.09 135.00 123.37 2kb0 n PRO 69 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2kb0 n PRO 69 Cb 0.35 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 2kb0 n PRO 69 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kb0 n LEU 70 N 0.00 0.00 -3.54 1.53 4.77 -1.26 -5.18 117.00 113.32 2kb0 n LEU 70 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2kb0 n LEU 70 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2kb0 n LEU 70 CO 0.00 0.00 0.44 -0.94 -1.33 0.00 0.00 177.39 175.56 2kb0 s SER 71 N 1.00 -0.47 -0.52 -1.43 1.04 -1.26 -4.83 113.70 107.22 2kb0 s SER 71 Ca 0.00 -0.15 0.06 0.00 0.48 0.00 0.00 55.95 56.34 2kb0 s SER 71 Cb 0.00 0.61 0.23 0.00 0.10 0.00 0.00 66.02 66.96 2kb0 s SER 71 CO 0.00 -1.03 0.57 -1.22 0.98 0.00 0.00 173.24 172.53 2kb0 n TYR 72 N -0.39 1.44 -1.60 5.02 4.02 -1.26 -5.01 117.16 119.38 2kb0 n TYR 72 Ca -0.13 -3.83 -0.41 0.00 -0.01 0.00 0.00 57.90 53.52 2kb0 n TYR 72 Cb 0.63 -0.37 -0.01 0.00 -0.02 0.00 0.00 39.34 39.57 2kb0 n TYR 72 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2kb0 n PRO 73 N 1.51 3.37 -4.24 -0.72 -0.04 -1.26 -4.89 135.00 128.73 2kb0 n PRO 73 Ca 0.25 -2.54 -0.26 0.00 -0.04 0.00 0.00 63.50 60.92 2kb0 n PRO 73 Cb 0.46 -3.02 -0.17 0.00 -0.04 0.00 0.00 33.50 30.73 2kb0 n PRO 73 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2kb0 s GLN 74 N 2.31 1.66 -0.31 0.54 -0.21 -1.26 -5.09 119.66 117.30 2kb0 s GLN 74 Ca 0.57 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.62 2kb0 s GLN 74 Cb 0.16 -1.53 0.16 0.00 1.00 0.00 0.00 33.01 32.80 2kb0 s GLN 74 CO -0.07 -0.12 0.42 0.95 -2.12 0.00 0.00 175.29 174.34 2kb0 s THR 75 N 1.18 -0.62 0.39 -0.19 -4.23 -1.26 -5.00 115.64 105.91 2kb0 s THR 75 Ca -0.05 -0.36 0.06 0.00 -1.18 0.00 0.00 61.69 60.17 2kb0 s THR 75 Cb -0.14 -0.91 0.23 0.00 1.34 0.00 0.00 72.50 73.02 2kb0 s THR 75 CO -0.03 -0.30 2.00 0.44 -0.54 0.00 0.00 174.62 176.19 2kb0 h ASP 76 N 7.98 0.46 -4.28 3.99 3.32 -1.98 -3.44 116.42 122.47 2kb0 h ASP 76 Ca -0.06 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 2kb0 h ASP 76 Cb 1.12 -0.12 -0.22 0.00 0.22 0.00 0.00 39.33 40.32 2kb0 h ASP 76 CO 0.25 0.40 -0.20 0.68 -1.72 0.00 0.00 179.24 178.65 2kb0 s VAL 77 N -5.30 0.02 -0.20 -1.35 -7.23 -1.24 -4.97 120.40 100.13 2kb0 s VAL 77 Ca -0.08 -0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 59.89 2kb0 s VAL 77 Cb 0.17 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 2kb0 s VAL 77 CO 0.74 -0.07 0.06 -0.36 -0.31 0.00 0.00 175.10 175.16 2kb0 s PHE 78 N -0.32 3.18 -0.18 2.82 0.08 -1.25 -3.75 117.98 118.57 2kb0 s PHE 78 Ca -0.05 -0.08 -0.03 0.00 0.12 0.00 0.00 56.93 56.90 2kb0 s PHE 78 Cb -0.03 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 2kb0 s PHE 78 CO 0.02 0.01 -0.07 -1.17 -0.10 0.00 0.00 175.22 173.91 2kb0 s LEU 79 N 0.71 2.92 -0.02 -0.37 2.96 -0.83 -2.81 118.68 121.23 2kb0 s LEU 79 Ca 0.03 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 2kb0 s LEU 79 Cb -0.13 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 2kb0 s LEU 79 CO 0.02 0.08 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.30 2kb0 s VAL 80 N 0.85 1.20 0.01 1.68 1.01 -0.61 -2.05 120.40 122.48 2kb0 s VAL 80 Ca -0.02 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2kb0 s VAL 80 Cb -0.15 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2kb0 s VAL 80 CO 0.01 0.35 -0.11 0.00 0.00 0.00 0.00 175.10 175.34 2kb0 s PHE 82 N -0.46 0.43 0.28 0.00 -0.71 -1.23 -4.57 117.98 111.72 2kb0 s PHE 82 Ca 0.03 -0.92 -0.11 0.00 -1.04 0.00 0.00 56.93 54.89 2kb0 s PHE 82 Cb -0.05 -0.31 -0.07 0.00 -1.21 0.00 0.00 43.02 41.37 2kb0 s PHE 82 CO 0.00 -0.39 0.62 -1.54 -1.34 0.00 0.00 175.22 172.57 2kb0 s SER 83 N -2.76 6.64 0.00 1.98 1.04 -1.26 -3.38 113.70 115.96 2kb0 s SER 83 Ca 0.04 1.02 0.23 0.00 0.48 0.00 0.00 55.95 57.72 2kb0 s SER 83 Cb 0.06 -2.27 0.45 0.00 0.10 0.00 0.00 66.02 64.36 2kb0 s SER 83 CO -0.09 -0.15 1.41 0.55 0.98 0.00 0.00 173.24 175.94 2kb0 n VAL 84 N -0.37 0.41 0.70 5.02 3.14 -1.25 -4.09 118.33 121.89 2kb0 n VAL 84 Ca 0.01 -0.67 0.08 0.00 -2.96 0.00 0.00 64.34 60.81 2kb0 n VAL 84 Cb 0.53 0.96 0.03 0.00 -1.06 0.00 0.00 33.84 34.29 2kb0 n VAL 84 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2kb0 n VAL 85 N 1.33 0.00 -3.81 1.55 0.24 -1.26 -3.33 118.33 113.05 2kb0 n VAL 85 Ca 0.18 -0.41 -0.34 0.00 -2.04 0.00 0.00 64.34 61.73 2kb0 n VAL 85 Cb 0.57 1.26 -0.11 0.00 -1.47 0.00 0.00 33.84 34.08 2kb0 n VAL 85 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kb0 s SER 86 N -1.67 4.98 0.17 -1.34 0.01 -1.26 -4.80 113.70 109.79 2kb0 s SER 86 Ca 0.16 -2.69 -0.18 0.00 1.31 0.00 0.00 55.95 54.56 2kb0 s SER 86 Cb 0.13 -1.78 0.10 0.00 0.21 0.00 0.00 66.02 64.69 2kb0 s SER 86 CO 0.32 -0.37 1.65 -0.65 0.41 0.00 0.00 173.24 174.60 2kb0 h PRO 87 N 7.13 -0.06 -0.95 12.44 0.11 -1.89 -1.13 132.00 147.66 2kb0 h PRO 87 Ca -0.05 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.19 2kb0 h PRO 87 Cb 0.96 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.00 2kb0 h PRO 87 CO 0.69 -0.04 0.60 0.66 -0.21 0.00 0.00 178.00 179.70 2kb0 h SER 88 N -0.06 0.80 0.29 -2.05 4.64 -1.99 1.02 113.55 116.20 2kb0 h SER 88 Ca 0.20 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2kb0 h SER 88 Cb 0.36 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2kb0 h SER 88 CO -0.45 0.41 0.00 0.77 -0.87 0.00 0.00 176.83 176.69 2kb0 h SER 89 N 0.85 0.00 0.01 4.97 4.64 -1.59 -1.02 113.55 121.42 2kb0 h SER 89 Ca 0.48 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2kb0 h SER 89 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2kb0 h SER 89 CO -0.24 0.00 -0.01 0.15 -0.87 0.00 0.00 176.83 175.86 2kb0 h PHE 90 N 0.00 -0.02 -0.45 4.77 3.57 0.13 -3.14 116.94 121.80 2kb0 h PHE 90 Ca 0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 2kb0 h PHE 90 Cb 0.15 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2kb0 h PHE 90 CO 0.00 0.74 -0.26 0.93 -2.23 0.00 0.00 178.31 177.49 2kb0 h GLU 91 N -0.83 0.95 -0.69 1.11 5.08 -1.26 -2.66 114.58 116.27 2kb0 h GLU 91 Ca -0.00 -0.42 0.17 0.00 -1.00 0.00 0.00 59.36 58.11 2kb0 h GLU 91 Cb 0.77 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 2kb0 h GLU 91 CO 0.00 1.08 0.48 -0.91 -1.00 0.00 0.00 179.01 178.67 2kb0 h ASN 92 N 0.81 0.14 -0.54 1.42 2.35 -1.30 0.32 115.58 118.77 2kb0 h ASN 92 Ca 0.10 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2kb0 h ASN 92 Cb 0.83 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 2kb0 h ASN 92 CO 0.07 0.07 0.34 0.58 -1.65 0.00 0.00 177.43 176.84 2kb0 h VAL 93 N 0.15 1.15 0.00 2.81 2.07 -1.42 -1.90 116.25 119.11 2kb0 h VAL 93 Ca 0.33 -0.31 -0.34 0.00 0.82 0.00 0.00 66.70 67.20 2kb0 h VAL 93 Cb 1.10 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 2kb0 h VAL 93 CO -0.05 0.15 -2.09 0.29 0.02 0.00 0.00 177.57 175.90 2kb0 n LYS 94 N -4.43 0.66 0.02 1.57 5.02 0.78 -3.07 118.16 118.71 2kb0 n LYS 94 Ca 0.05 0.13 -0.06 0.00 -2.02 0.00 0.00 58.31 56.41 2kb0 n LYS 94 Cb 0.06 -1.64 0.13 0.00 -0.02 0.00 0.00 35.03 33.56 2kb0 n LYS 94 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2kb0 h GLU 95 N 0.00 0.48 0.00 1.97 4.81 -0.41 -3.29 114.58 118.14 2kb0 h GLU 95 Ca -0.43 -0.25 -0.15 0.00 -0.13 0.00 0.00 59.36 58.40 2kb0 h GLU 95 Cb 2.14 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.51 2kb0 h GLU 95 CO 0.05 0.82 -1.49 1.63 -0.73 0.00 0.00 179.01 179.29 2kb0 n LYS 96 N -4.02 0.19 0.00 1.92 5.02 -0.73 -4.65 118.16 115.89 2kb0 n LYS 96 Ca -0.02 0.08 0.09 0.00 -2.02 0.00 0.00 58.31 56.44 2kb0 n LYS 96 Cb 0.52 -0.82 0.52 0.00 -0.02 0.00 0.00 35.03 35.23 2kb0 n LYS 96 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2kb0 n TRP 97 N -3.37 0.00 -0.09 2.13 7.02 -1.17 -2.96 117.44 118.99 2kb0 n TRP 97 Ca -0.17 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.15 2kb0 n TRP 97 Cb 0.62 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.44 2kb0 n TRP 97 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2kb0 n VAL 98 N -0.84 0.98 -0.08 -0.99 0.31 -1.22 -4.36 118.33 112.13 2kb0 n VAL 98 Ca 0.13 -0.30 -0.14 0.00 -0.01 0.00 0.00 64.34 64.03 2kb0 n VAL 98 Cb 0.06 -1.48 -0.08 0.00 -0.91 0.00 0.00 33.84 31.42 2kb0 n VAL 98 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2kb0 h PRO 99 N -0.39 0.00 -0.31 5.55 0.13 -1.74 -3.36 132.00 131.88 2kb0 h PRO 99 Ca -0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 2kb0 h PRO 99 Cb 1.47 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.59 2kb0 h PRO 99 CO -0.19 0.67 -0.05 1.49 -0.23 0.00 0.00 178.00 179.69 2kb0 h GLU 100 N -1.00 0.50 -0.14 0.86 4.81 -1.83 -2.23 114.58 115.55 2kb0 h GLU 100 Ca -0.15 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.00 2kb0 h GLU 100 Cb 0.90 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2kb0 h GLU 100 CO -0.09 0.57 0.12 0.97 -0.73 0.00 0.00 179.01 179.85 2kb0 h ILE 101 N 0.48 0.72 -0.30 2.32 2.10 -1.73 -0.78 117.51 120.31 2kb0 h ILE 101 Ca 0.10 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.95 2kb0 h ILE 101 Cb 0.39 0.91 -0.02 0.00 -1.09 0.00 0.00 36.82 37.02 2kb0 h ILE 101 CO 0.02 0.00 -0.18 0.71 -1.08 0.00 0.00 178.15 177.62 2kb0 h THR 102 N 0.00 1.25 -0.88 2.19 1.35 -1.53 0.99 112.91 116.28 2kb0 h THR 102 Ca 0.07 -1.15 0.07 0.00 -0.55 0.00 0.00 66.41 64.85 2kb0 h THR 102 Cb 0.31 1.21 -0.06 0.00 -1.73 0.00 0.00 68.15 67.88 2kb0 h THR 102 CO -0.00 0.37 0.55 0.45 -0.25 0.00 0.00 175.52 176.64 2kb0 h HIS 103 N 0.49 1.01 -0.00 4.73 3.86 -1.24 -1.62 115.15 122.38 2kb0 h HIS 103 Ca 0.08 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2kb0 h HIS 103 Cb 0.58 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2kb0 h HIS 103 CO 0.02 0.50 -0.82 0.72 0.86 0.00 0.00 177.93 179.21 2kb0 n HIS 104 N -4.62 0.00 -3.11 2.45 8.25 -1.06 -4.70 115.22 112.44 2kb0 n HIS 104 Ca 0.13 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.41 2kb0 n HIS 104 Cb 0.20 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 2kb0 n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kb0 h PRO 106 N 5.04 0.54 -1.87 0.00 0.11 -1.50 -3.35 132.00 130.97 2kb0 h PRO 106 Ca 0.14 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.01 2kb0 h PRO 106 Cb 0.98 -0.12 -0.30 0.00 0.11 0.00 0.00 31.00 31.66 2kb0 h PRO 106 CO 0.27 0.36 -0.53 0.15 -0.21 0.00 0.00 178.00 178.04 2kb0 s LYS 107 N -6.07 0.37 0.06 1.05 1.02 -1.26 -4.94 119.74 109.96 2kb0 s LYS 107 Ca -0.13 0.24 -0.14 0.00 0.02 0.00 0.00 55.97 55.96 2kb0 s LYS 107 Cb 0.17 -0.46 0.02 0.00 -0.52 0.00 0.00 37.83 37.05 2kb0 s LYS 107 CO 0.76 -0.87 0.31 0.95 -0.92 0.00 0.00 175.35 175.58 2kb0 s THR 108 N 2.51 0.08 0.09 2.17 -4.23 -1.26 -5.13 115.64 109.87 2kb0 s THR 108 Ca 0.11 -0.69 -0.31 0.00 -1.18 0.00 0.00 61.69 59.62 2kb0 s THR 108 Cb -0.14 -0.99 -0.08 0.00 1.34 0.00 0.00 72.50 72.63 2kb0 s THR 108 CO -0.25 -0.38 1.51 -2.16 -0.54 0.00 0.00 174.62 172.80 2kb0 s PRO 109 N -2.77 4.25 -0.06 3.99 0.04 -1.26 -5.01 135.00 134.18 2kb0 s PRO 109 Ca -0.03 2.20 0.05 0.00 0.04 0.00 0.00 61.00 63.25 2kb0 s PRO 109 Cb -0.00 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 2kb0 s PRO 109 CO -0.05 -0.59 -0.19 -0.06 0.04 0.00 0.00 177.00 176.16 2kb0 s PHE 110 N 1.77 2.58 -0.17 0.56 0.08 -1.26 -3.77 117.98 117.77 2kb0 s PHE 110 Ca 0.68 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 57.34 2kb0 s PHE 110 Cb -0.38 -1.62 0.02 0.00 -0.57 0.00 0.00 43.02 40.47 2kb0 s PHE 110 CO 0.30 -0.00 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.10 2kb0 s LEU 111 N -0.44 1.94 -0.19 -0.37 2.96 -1.12 -2.29 118.68 119.17 2kb0 s LEU 111 Ca 0.05 -0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 2kb0 s LEU 111 Cb -0.12 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 2kb0 s LEU 111 CO 0.02 -0.05 0.01 -0.76 -1.32 0.00 0.00 176.35 174.24 2kb0 s LEU 112 N 1.40 3.38 -0.12 -0.68 1.02 -1.18 -1.58 118.68 120.92 2kb0 s LEU 112 Ca 0.04 -0.12 -0.00 0.00 0.02 0.00 0.00 54.13 54.06 2kb0 s LEU 112 Cb -0.13 -1.85 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 2kb0 s LEU 112 CO -0.11 0.11 -0.10 -0.69 0.02 0.00 0.00 176.35 175.59 2kb0 s VAL 113 N 0.71 3.40 -0.25 -1.59 1.01 -0.64 -2.90 120.40 120.15 2kb0 s VAL 113 Ca 0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 2kb0 s VAL 113 Cb -0.14 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2kb0 s VAL 113 CO 0.02 0.54 0.72 -0.83 0.00 0.00 0.00 175.10 175.54 2kb0 s GLY 114 N 0.00 1.78 0.40 4.51 0.00 0.11 -3.51 107.32 110.62 2kb0 s GLY 114 Ca -0.02 -0.32 0.07 0.00 0.00 0.00 0.00 44.72 44.45 2kb0 s GLY 114 CO 0.04 1.60 0.05 -0.51 0.00 0.00 0.00 173.10 174.28 2kb0 s THR 115 N 2.66 2.12 -0.94 0.90 -4.23 -1.22 -1.01 115.64 113.93 2kb0 s THR 115 Ca 0.30 -1.93 -0.06 0.00 -1.18 0.00 0.00 61.69 58.82 2kb0 s THR 115 Cb -0.15 -2.97 0.01 0.00 1.34 0.00 0.00 72.50 70.72 2kb0 s THR 115 CO 0.08 -0.02 0.82 0.00 -0.54 0.00 0.00 174.62 174.96 2kb0 n GLN 116 N -1.03 -5.50 -0.56 3.99 6.02 -1.20 -3.77 117.38 115.33 2kb0 n GLN 116 Ca -0.04 0.58 -0.18 0.00 -0.01 0.00 0.00 57.00 57.35 2kb0 n GLN 116 Cb 0.66 -4.86 0.14 0.00 1.02 0.00 0.00 30.24 27.20 2kb0 n GLN 116 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2kb0 n ILE 117 N -4.17 0.00 -2.05 5.09 3.06 -1.25 -2.68 119.36 117.36 2kb0 n ILE 117 Ca -0.01 -0.04 -0.15 0.00 -2.50 0.00 0.00 62.75 60.05 2kb0 n ILE 117 Cb 0.55 -0.45 -0.03 0.00 0.54 0.00 0.00 39.64 40.25 2kb0 n ILE 117 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 2kb0 n ASP 118 N -0.87 -4.31 -3.47 9.51 8.00 -1.26 -3.19 116.55 120.96 2kb0 n ASP 118 Ca 0.05 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.64 2kb0 n ASP 118 Cb 0.35 -3.75 -0.02 0.00 -0.02 0.00 0.00 41.12 37.69 2kb0 n ASP 118 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kb0 n LEU 119 N -2.53 -0.19 -2.09 0.64 4.77 -1.09 0.41 117.00 116.91 2kb0 n LEU 119 Ca -0.17 -0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 55.26 2kb0 n LEU 119 Cb 0.58 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2kb0 n LEU 119 CO 0.22 0.22 -0.12 0.54 -1.33 0.00 0.00 177.39 176.92 2kb0 n ARG 120 N -2.30 -2.01 0.00 3.23 5.12 -1.19 0.13 116.66 119.64 2kb0 n ARG 120 Ca -0.08 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.37 2kb0 n ARG 120 Cb 0.22 -4.98 0.00 0.00 -1.16 0.00 0.00 32.46 26.54 2kb0 n ARG 120 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2kb0 n ASP 121 N -1.25 0.00 -3.45 0.55 -0.08 1.35 -4.21 116.55 109.45 2kb0 n ASP 121 Ca -0.11 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.96 2kb0 n ASP 121 Cb 0.51 -0.01 0.04 0.00 2.34 0.00 0.00 41.12 44.00 2kb0 n ASP 121 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kb0 n ASP 122 N 0.00 -6.12 0.00 1.67 9.92 0.35 -5.00 116.55 117.37 2kb0 n ASP 122 Ca 0.00 -0.77 0.00 0.00 -0.53 0.00 0.00 54.79 53.49 2kb0 n ASP 122 Cb 0.00 -4.14 0.00 0.00 -0.64 0.00 0.00 41.12 36.34 2kb0 n ASP 122 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2kb0 n PRO 123 N -3.39 0.00 0.00 -0.24 -0.04 -1.26 -4.54 135.00 125.53 2kb0 n PRO 123 Ca -0.09 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.53 2kb0 n PRO 123 Cb 0.59 0.00 0.82 0.00 -0.04 0.00 0.00 33.50 34.87 2kb0 n PRO 123 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kb0 n SER 124 N 0.00 0.15 -0.04 3.54 3.41 -1.26 -3.46 113.62 115.96 2kb0 n SER 124 Ca 0.00 -0.71 -0.14 0.00 -0.26 0.00 0.00 58.87 57.76 2kb0 n SER 124 Cb 0.00 -0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 63.76 2kb0 n SER 124 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2kb0 h THR 125 N 0.21 1.42 -0.41 6.66 2.02 -1.96 -1.69 112.91 119.15 2kb0 h THR 125 Ca 0.00 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.55 2kb0 h THR 125 Cb 0.16 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 2kb0 h THR 125 CO 0.00 0.46 0.12 0.16 0.37 0.00 0.00 175.52 176.63 2kb0 h ILE 126 N -0.17 1.18 0.00 3.11 3.07 -1.79 -0.30 117.51 122.61 2kb0 h ILE 126 Ca -0.01 -0.60 -0.00 0.00 1.55 0.00 0.00 64.86 65.80 2kb0 h ILE 126 Cb 0.86 0.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 2kb0 h ILE 126 CO 0.05 0.22 -0.00 -0.33 -1.05 0.00 0.00 178.15 177.05 2kb0 h GLU 127 N 0.60 -0.00 -0.62 0.16 5.08 -1.67 0.21 114.58 118.34 2kb0 h GLU 127 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2kb0 h GLU 127 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2kb0 h GLU 127 CO -0.01 0.48 0.33 0.87 -1.00 0.00 0.00 179.01 179.68 2kb0 h LYS 128 N -0.48 0.85 -0.05 2.33 1.57 -1.07 -2.19 116.57 117.54 2kb0 h LYS 128 Ca -0.00 -0.09 -0.23 0.00 -1.87 0.00 0.00 60.65 58.46 2kb0 h LYS 128 Cb 0.48 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.63 2kb0 h LYS 128 CO 0.00 0.64 -0.90 -0.07 -0.57 0.00 0.00 179.45 178.55 2kb0 h LEU 129 N 0.86 0.73 -1.16 2.94 -0.00 -1.02 -3.16 115.31 114.50 2kb0 h LEU 129 Ca 0.22 -0.54 0.16 0.00 -0.00 0.00 0.00 57.88 57.72 2kb0 h LEU 129 Cb 0.04 -0.22 -0.09 0.00 -0.00 0.00 0.00 40.66 40.39 2kb0 h LEU 129 CO -0.03 1.33 0.61 0.00 -0.00 0.00 0.00 178.44 180.34 2kb0 h ALA 130 N 0.64 1.76 -0.67 1.53 0.00 0.05 0.26 119.26 122.83 2kb0 h ALA 130 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kb0 h ALA 130 Cb 1.53 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2kb0 h ALA 130 CO 0.17 -0.06 0.43 -0.22 0.00 0.00 0.00 179.25 179.57 2kb0 h LYS 131 N 0.75 0.89 -0.12 0.00 3.64 -1.45 0.78 116.57 121.06 2kb0 h LYS 131 Ca 0.51 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2kb0 h LYS 131 Cb 0.80 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2kb0 h LYS 131 CO -0.28 0.60 0.00 0.09 -2.27 0.00 0.00 179.45 177.59 2kb0 n ASN 132 N -4.42 0.95 -3.77 4.20 5.03 0.83 -4.90 115.26 113.19 2kb0 n ASN 132 Ca 0.07 -1.68 -0.25 0.00 0.87 0.00 0.00 54.58 53.58 2kb0 n ASN 132 Cb 0.05 -0.08 0.04 0.00 -1.02 0.00 0.00 39.78 38.77 2kb0 n ASN 132 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2kb0 n LYS 133 N -0.11 -5.76 -3.58 3.52 5.02 0.27 -4.95 118.16 112.56 2kb0 n LYS 133 Ca 0.13 0.66 -0.29 0.00 -2.02 0.00 0.00 58.31 56.78 2kb0 n LYS 133 Cb 0.20 -5.47 -0.13 0.00 -0.02 0.00 0.00 35.03 29.61 2kb0 n LYS 133 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2kb0 s GLN 134 N -6.28 0.79 0.67 1.97 2.00 -1.12 -5.03 119.66 112.66 2kb0 s GLN 134 Ca 0.39 -1.47 -0.16 0.00 -2.00 0.00 0.00 55.36 52.12 2kb0 s GLN 134 Cb -0.19 -1.72 0.00 0.00 0.80 0.00 0.00 33.01 31.91 2kb0 s GLN 134 CO 0.80 -1.15 1.17 0.15 -0.50 0.00 0.00 175.29 175.76 2kb0 s LYS 135 N 0.96 2.61 0.93 1.67 3.01 -1.26 -4.62 119.74 123.05 2kb0 s LYS 135 Ca 0.16 1.65 -0.11 0.00 -1.01 0.00 0.00 55.97 56.66 2kb0 s LYS 135 Cb -0.22 -1.90 0.16 0.00 -1.01 0.00 0.00 37.83 34.85 2kb0 s LYS 135 CO -0.05 -1.45 1.12 -1.25 0.51 0.00 0.00 175.35 174.23 2kb0 s PRO 136 N -3.80 0.88 -0.06 -1.68 0.04 -1.26 -4.86 135.00 124.26 2kb0 s PRO 136 Ca 0.73 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 2kb0 s PRO 136 Cb -0.26 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2kb0 s PRO 136 CO 0.40 -2.66 0.46 0.42 0.04 0.00 0.00 177.00 175.66 2kb0 s ILE 137 N -2.67 5.09 0.24 0.56 -1.09 -1.21 -5.03 121.20 117.09 2kb0 s ILE 137 Ca 0.66 0.94 0.02 0.00 -2.23 0.00 0.00 60.65 60.04 2kb0 s ILE 137 Cb -0.22 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.84 2kb0 s ILE 137 CO 0.59 0.43 0.39 0.28 -1.23 0.00 0.00 174.94 175.40 2kb0 s THR 138 N -0.08 5.23 0.40 2.92 -1.32 -1.26 -4.76 115.64 116.77 2kb0 s THR 138 Ca 0.25 -0.69 0.20 0.00 -1.21 0.00 0.00 61.69 60.24 2kb0 s THR 138 Cb -0.16 -3.81 0.41 0.00 -1.51 0.00 0.00 72.50 67.42 2kb0 s THR 138 CO 0.12 -0.30 1.75 1.55 -2.21 0.00 0.00 174.62 175.53 2kb0 h PRO 139 N 1.45 0.33 -0.98 7.08 0.13 -1.97 -1.82 132.00 136.22 2kb0 h PRO 139 Ca -0.50 -0.02 0.27 0.00 -0.87 0.00 0.00 66.00 64.88 2kb0 h PRO 139 Cb 1.21 -0.07 -0.13 0.00 0.13 0.00 0.00 31.00 32.13 2kb0 h PRO 139 CO 0.64 0.22 0.53 1.49 -0.23 0.00 0.00 178.00 180.65 2kb0 h GLU 140 N 0.34 0.42 0.00 0.86 4.81 -2.00 0.69 114.58 119.70 2kb0 h GLU 140 Ca 0.63 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.83 2kb0 h GLU 140 Cb 1.67 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.95 2kb0 h GLU 140 CO -0.31 0.28 -0.85 1.79 -0.73 0.00 0.00 179.01 179.19 2kb0 h THR 141 N 0.44 0.00 0.00 0.32 1.35 -1.73 -3.31 112.91 109.97 2kb0 h THR 141 Ca 0.66 -0.84 -0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2kb0 h THR 141 Cb 1.35 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2kb0 h THR 141 CO -0.54 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 174.71 2kb0 h ALA 142 N 2.16 0.00 -0.40 6.62 0.00 0.32 -3.20 119.26 124.77 2kb0 h ALA 142 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2kb0 h ALA 142 Cb 0.92 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2kb0 h ALA 142 CO 0.00 -0.08 0.07 0.93 0.00 0.00 0.00 179.25 180.17 2kb0 h GLU 143 N -0.80 0.60 -0.26 0.00 5.08 -0.82 -2.00 114.58 116.38 2kb0 h GLU 143 Ca -0.00 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2kb0 h GLU 143 Cb 0.83 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2kb0 h GLU 143 CO 0.00 0.57 0.07 0.87 -1.00 0.00 0.00 179.01 179.52 2kb0 h LYS 144 N 0.58 0.37 -0.94 2.33 1.57 -1.65 -1.72 116.57 117.10 2kb0 h LYS 144 Ca 0.13 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.95 2kb0 h LYS 144 Cb 0.26 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 2kb0 h LYS 144 CO 0.00 0.34 0.61 1.25 -0.57 0.00 0.00 179.45 181.07 2kb0 h LEU 145 N 0.37 0.90 -0.04 2.94 5.85 -1.35 1.50 115.31 125.48 2kb0 h LEU 145 Ca 0.09 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2kb0 h LEU 145 Cb 0.13 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2kb0 h LEU 145 CO -0.01 0.54 -0.13 0.00 -0.34 0.00 0.00 178.44 178.50 2kb0 h ALA 146 N 1.52 0.07 -0.00 1.25 0.00 -1.39 0.87 119.26 121.59 2kb0 h ALA 146 Ca 0.43 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kb0 h ALA 146 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kb0 h ALA 146 CO -0.19 -0.02 -0.00 0.54 0.00 0.00 0.00 179.25 179.58 2kb0 n ARG 147 N -4.63 0.98 -0.05 0.00 1.74 -0.92 -1.44 116.66 112.33 2kb0 n ARG 147 Ca -0.08 -0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 56.85 2kb0 n ARG 147 Cb 0.39 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 2kb0 n ARG 147 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2kb0 n ASP 148 N -0.96 2.40 -0.04 0.55 2.03 0.51 -4.50 116.55 116.53 2kb0 n ASP 148 Ca 0.23 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.54 2kb0 n ASP 148 Cb 0.14 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 2kb0 n ASP 148 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2kb0 n LEU 149 N -3.04 0.08 -2.42 -2.67 7.94 0.30 -4.83 117.00 112.37 2kb0 n LEU 149 Ca -0.20 -0.04 -0.20 0.00 -1.11 0.00 0.00 56.01 54.46 2kb0 n LEU 149 Cb 0.69 -0.04 -0.01 0.00 0.53 0.00 0.00 43.42 44.58 2kb0 n LEU 149 CO 0.07 0.02 -0.25 0.29 -1.11 0.00 0.00 177.39 176.41 2kb0 n LYS 150 N -0.45 -1.82 -2.19 1.96 5.02 -1.17 -4.93 118.16 114.58 2kb0 n LYS 150 Ca 0.00 0.97 -0.37 0.00 -2.02 0.00 0.00 58.31 56.89 2kb0 n LYS 150 Cb 0.02 -5.63 -0.00 0.00 -0.02 0.00 0.00 35.03 29.40 2kb0 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kb0 s ALA 151 N -3.00 2.91 0.07 7.82 0.00 -0.52 -4.94 121.76 124.09 2kb0 s ALA 151 Ca 0.01 0.98 -0.35 0.00 0.00 0.00 0.00 51.96 52.59 2kb0 s ALA 151 Cb -0.00 -3.41 -0.20 0.00 0.00 0.00 0.00 23.12 19.51 2kb0 s ALA 151 CO 0.01 -0.78 1.60 0.28 0.00 0.00 0.00 175.76 176.87 2kb0 h VAL 152 N 1.71 0.19 -2.70 0.00 2.07 -1.76 -3.45 116.25 112.31 2kb0 h VAL 152 Ca -0.50 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 2kb0 h VAL 152 Cb 1.26 0.19 -0.15 0.00 -1.52 0.00 0.00 31.29 31.06 2kb0 h VAL 152 CO 0.59 0.00 0.14 -0.75 0.02 0.00 0.00 177.57 177.57 2kb0 s LYS 153 N -6.02 1.14 0.07 1.57 2.20 -1.25 -5.08 119.74 112.36 2kb0 s LYS 153 Ca -0.19 -0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.23 2kb0 s LYS 153 Cb 0.03 0.52 -0.03 0.00 -1.51 0.00 0.00 37.83 36.84 2kb0 s LYS 153 CO 0.61 -0.44 -0.09 1.52 -0.36 0.00 0.00 175.35 176.60 2kb0 s TYR 154 N -2.69 0.87 -0.01 4.03 1.13 -1.26 -3.12 117.35 116.29 2kb0 s TYR 154 Ca -0.04 -0.62 0.03 0.00 -1.41 0.00 0.00 57.07 55.02 2kb0 s TYR 154 Cb -0.01 -0.50 -0.00 0.00 -1.10 0.00 0.00 41.96 40.35 2kb0 s TYR 154 CO -0.04 -0.06 -0.09 0.08 -2.51 0.00 0.00 175.55 172.94 2kb0 s VAL 155 N -2.11 0.71 -0.17 -3.49 1.01 -1.14 -4.99 120.40 110.21 2kb0 s VAL 155 Ca -0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 2kb0 s VAL 155 Cb -0.05 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 2kb0 s VAL 155 CO -0.01 0.21 0.08 -0.70 0.00 0.00 0.00 175.10 174.69 2kb0 s GLU 156 N -0.05 3.87 0.20 2.72 2.12 -1.26 0.05 118.70 126.35 2kb0 s GLU 156 Ca 0.01 -0.29 -0.22 0.00 0.36 0.00 0.00 54.97 54.83 2kb0 s GLU 156 Cb -0.05 -3.22 0.07 0.00 0.26 0.00 0.00 34.13 31.19 2kb0 s GLU 156 CO -0.00 0.39 1.00 0.00 -0.54 0.00 0.00 175.26 176.10 2kb0 s SER 158 N -3.26 1.03 0.22 0.00 0.15 -1.23 -3.26 113.70 107.34 2kb0 s SER 158 Ca 0.19 -0.10 0.12 0.00 0.70 0.00 0.00 55.95 56.86 2kb0 s SER 158 Cb -0.03 -0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 63.83 2kb0 s SER 158 CO 0.05 -0.10 1.38 0.00 1.20 0.00 0.00 173.24 175.77 2kb0 h ALA 159 N 7.48 0.55 -0.34 5.45 0.00 -1.90 0.69 119.26 131.20 2kb0 h ALA 159 Ca -0.34 -0.63 0.10 0.00 0.00 0.00 0.00 54.91 54.03 2kb0 h ALA 159 Cb 1.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2kb0 h ALA 159 CO 0.42 0.87 0.34 -0.07 0.00 0.00 0.00 179.25 180.81 2kb0 h LEU 160 N 0.00 0.00 -9.19 0.00 3.38 -1.96 -3.40 115.31 104.14 2kb0 h LEU 160 Ca -0.01 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.38 2kb0 h LEU 160 Cb 1.53 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.14 2kb0 h LEU 160 CO 0.09 0.00 -0.74 -0.89 0.09 0.00 0.00 178.44 176.99 2kb0 s THR 161 N -4.68 2.29 -1.88 0.22 2.01 -1.18 -4.96 115.64 107.46 2kb0 s THR 161 Ca -0.05 -2.34 0.00 0.00 0.31 0.00 0.00 61.69 59.62 2kb0 s THR 161 Cb 0.16 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.36 2kb0 s THR 161 CO 0.57 -0.40 0.22 1.67 -0.69 0.00 0.00 174.62 175.99 2kb0 n GLN 162 N -0.60 0.23 -0.06 4.92 -0.06 -1.26 -2.19 117.38 118.36 2kb0 n GLN 162 Ca -0.05 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.06 2kb0 n GLN 162 Cb 0.61 -1.01 0.42 0.00 -4.06 0.00 0.00 30.24 26.19 2kb0 n GLN 162 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2kb0 n LYS 163 N -0.40 1.71 -0.11 3.69 5.02 -1.23 -3.76 118.16 123.09 2kb0 n LYS 163 Ca 0.00 -1.06 -0.23 0.00 -2.02 0.00 0.00 58.31 55.00 2kb0 n LYS 163 Cb 0.01 -1.42 -0.11 0.00 -0.02 0.00 0.00 35.03 33.49 2kb0 n LYS 163 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kb0 n GLY 164 N 1.15 -0.77 0.18 0.72 0.00 0.24 -3.58 105.19 103.13 2kb0 n GLY 164 Ca 0.17 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 2kb0 n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kb0 h LEU 165 N -1.00 0.53 -1.75 0.99 4.07 -1.81 -2.14 115.31 114.21 2kb0 h LEU 165 Ca -0.41 -0.35 0.05 0.00 0.08 0.00 0.00 57.88 57.24 2kb0 h LEU 165 Cb 1.35 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.93 2kb0 h LEU 165 CO -0.25 0.75 0.25 0.11 -1.08 0.00 0.00 178.44 178.23 2kb0 h LYS 166 N 0.30 0.31 0.00 1.13 1.57 -1.78 0.90 116.57 119.00 2kb0 h LYS 166 Ca 0.08 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2kb0 h LYS 166 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2kb0 h LYS 166 CO 0.02 0.21 -0.00 -0.97 -0.57 0.00 0.00 179.45 178.14 2kb0 h ASN 167 N 0.32 -0.00 1.43 0.86 -0.73 -1.63 -3.20 115.58 112.63 2kb0 h ASN 167 Ca 0.16 -0.90 0.00 0.00 1.87 0.00 0.00 56.30 57.43 2kb0 h ASN 167 Cb 0.23 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.82 2kb0 h ASN 167 CO -0.04 0.95 0.00 -0.37 -0.37 0.00 0.00 177.43 177.60 2kb0 h VAL 168 N -0.99 0.00 -0.01 2.57 -1.51 -1.19 -3.27 116.25 111.84 2kb0 h VAL 168 Ca -0.00 -0.64 -0.07 0.00 -1.23 0.00 0.00 66.70 64.76 2kb0 h VAL 168 Cb 0.91 1.60 0.01 0.00 -2.13 0.00 0.00 31.29 31.67 2kb0 h VAL 168 CO 0.00 0.00 -0.27 0.15 -1.23 0.00 0.00 177.57 176.22 2kb0 h PHE 169 N 0.00 0.28 -0.67 5.19 3.57 0.72 -2.65 116.94 123.37 2kb0 h PHE 169 Ca 0.00 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.39 2kb0 h PHE 169 Cb 0.72 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 2kb0 h PHE 169 CO 0.00 0.94 0.40 -0.44 -2.23 0.00 0.00 178.31 176.98 2kb0 h ASP 170 N -0.46 0.64 0.01 0.41 3.32 -1.61 -1.77 116.42 116.96 2kb0 h ASP 170 Ca -0.03 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 2kb0 h ASP 170 Cb 1.01 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2kb0 h ASP 170 CO 0.05 0.43 -0.28 -0.08 -1.72 0.00 0.00 179.24 177.65 2kb0 h GLU 171 N 0.77 0.41 -0.15 3.56 4.81 -1.64 -2.75 114.58 119.59 2kb0 h GLU 171 Ca 0.28 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2kb0 h GLU 171 Cb 0.08 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2kb0 h GLU 171 CO -0.13 0.66 0.10 0.00 -0.73 0.00 0.00 179.01 178.90 2kb0 h ALA 172 N 1.34 1.88 -0.48 2.92 0.00 -0.94 -2.20 119.26 121.77 2kb0 h ALA 172 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2kb0 h ALA 172 Cb 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2kb0 h ALA 172 CO 0.05 0.11 -0.15 0.82 0.00 0.00 0.00 179.25 180.08 2kb0 h ILE 173 N 0.21 1.27 -0.53 0.00 1.08 -1.25 -2.97 117.51 115.32 2kb0 h ILE 173 Ca 0.06 -1.29 0.05 0.00 -0.39 0.00 0.00 64.86 63.28 2kb0 h ILE 173 Cb -0.01 1.10 -0.05 0.00 -3.07 0.00 0.00 36.82 34.78 2kb0 h ILE 173 CO -0.01 0.45 0.26 -0.07 -0.69 0.00 0.00 178.15 178.09 2kb0 h LEU 174 N 0.81 0.37 -1.34 1.44 -0.00 -1.45 -1.54 115.31 113.59 2kb0 h LEU 174 Ca 0.12 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 58.01 2kb0 h LEU 174 Cb 0.71 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.31 2kb0 h LEU 174 CO 0.05 0.25 0.17 0.00 -0.00 0.00 0.00 178.44 178.92 2kb0 h ALA 175 N 1.29 1.48 -0.86 1.53 0.00 -1.49 -2.37 119.26 118.85 2kb0 h ALA 175 Ca 0.24 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.12 2kb0 h ALA 175 Cb 0.16 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2kb0 h ALA 175 CO -0.17 0.40 0.50 0.00 0.00 0.00 0.00 179.25 179.98 2kb0 h ALA 176 N 1.57 1.23 -0.50 0.00 0.00 -1.12 -0.10 119.26 120.35 2kb0 h ALA 176 Ca 0.15 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2kb0 h ALA 176 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2kb0 h ALA 176 CO -0.01 0.13 0.08 -0.07 0.00 0.00 0.00 179.25 179.37 2kb0 h LEU 177 N 0.83 0.74 -1.35 0.00 3.38 -1.33 -3.49 115.31 114.08 2kb0 h LEU 177 Ca 0.41 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2kb0 h LEU 177 Cb 0.37 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2kb0 h LEU 177 CO -0.25 0.76 0.00 1.21 0.09 0.00 0.00 178.44 180.25