#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n55 s LYS 3 N 0.00 2.45 1.06 0.00 1.02 -1.26 -5.00 119.74 118.00 1n55 s LYS 3 Ca 0.00 2.03 -0.14 0.00 0.02 0.00 0.00 55.97 57.87 1n55 s LYS 3 Cb 0.00 -1.84 0.22 0.00 -0.52 0.00 0.00 37.83 35.69 1n55 s LYS 3 CO 0.00 -1.67 1.11 -1.25 -0.92 0.00 0.00 175.35 172.62 1n55 s PRO 4 N -3.47 -0.05 0.07 -1.68 0.04 -1.26 -4.92 135.00 123.73 1n55 s PRO 4 Ca 0.81 0.28 -0.35 0.00 0.04 0.00 0.00 61.00 61.79 1n55 s PRO 4 Cb -0.36 -1.70 -0.14 0.00 0.04 0.00 0.00 34.50 32.33 1n55 s PRO 4 CO 0.41 -3.00 1.57 0.94 0.04 0.00 0.00 177.00 176.96 1n55 n GLN 5 N -4.32 1.82 -1.56 4.56 7.27 -1.26 -4.95 117.38 118.94 1n55 n GLN 5 Ca 0.08 0.66 -0.30 0.00 0.07 0.00 0.00 57.00 57.50 1n55 n GLN 5 Cb 0.58 -2.40 0.07 0.00 2.41 0.00 0.00 30.24 30.90 1n55 n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1n55 s PRO 6 N 1.47 2.54 -0.03 3.69 0.04 -1.26 -4.85 135.00 136.60 1n55 s PRO 6 Ca 0.84 0.81 0.04 0.00 0.04 0.00 0.00 61.00 62.73 1n55 s PRO 6 Cb -0.78 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 31.80 1n55 s PRO 6 CO 0.44 -1.34 -0.16 0.42 0.04 0.00 0.00 177.00 176.40 1n55 s ILE 7 N -3.10 1.34 -0.24 0.56 1.01 -0.70 -1.04 121.20 119.03 1n55 s ILE 7 Ca 0.59 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.57 1n55 s ILE 7 Cb -0.14 -1.14 0.06 0.00 0.01 0.00 0.00 42.46 41.24 1n55 s ILE 7 CO 0.55 0.39 -0.10 0.00 0.00 0.00 0.00 174.94 175.77 1n55 s ALA 8 N -0.11 2.31 -0.10 9.38 0.00 -0.49 -1.27 121.76 131.48 1n55 s ALA 8 Ca 0.00 -1.55 0.03 0.00 0.00 0.00 0.00 51.96 50.44 1n55 s ALA 8 Cb -0.09 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 1n55 s ALA 8 CO 0.01 -1.10 -0.20 0.00 0.00 0.00 0.00 175.76 174.47 1n55 s ALA 9 N 1.23 2.36 -0.42 0.00 0.00 -0.03 -1.10 121.76 123.79 1n55 s ALA 9 Ca -0.06 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1n55 s ALA 9 Cb -0.19 -0.94 0.03 0.00 0.00 0.00 0.00 23.12 22.02 1n55 s ALA 9 CO -0.06 0.31 0.30 0.00 0.00 0.00 0.00 175.76 176.31 1n55 s ALA 10 N 0.21 3.46 -0.64 0.00 0.00 0.68 -0.44 121.76 125.02 1n55 s ALA 10 Ca -0.12 -1.81 -0.18 0.00 0.00 0.00 0.00 51.96 49.85 1n55 s ALA 10 Cb -0.16 -2.87 0.12 0.00 0.00 0.00 0.00 23.12 20.21 1n55 s ALA 10 CO 0.07 -1.51 0.70 1.21 0.00 0.00 0.00 175.76 176.23 1n55 s ASN 11 N 1.85 6.29 0.10 0.00 2.47 0.55 -0.43 114.94 125.77 1n55 s ASN 11 Ca 0.04 -1.70 0.19 0.00 0.42 0.00 0.00 52.86 51.81 1n55 s ASN 11 Cb -0.20 -2.28 0.81 0.00 -1.45 0.00 0.00 41.25 38.13 1n55 s ASN 11 CO 0.09 -1.00 1.61 0.79 -3.72 0.00 0.00 177.10 174.87 1n55 n TRP 12 N 5.85 0.34 -3.56 0.43 8.01 -0.95 -4.28 117.44 123.27 1n55 n TRP 12 Ca -0.05 0.13 0.00 0.00 -1.31 0.00 0.00 57.50 56.27 1n55 n TRP 12 Cb 0.43 -0.71 0.00 0.00 -2.01 0.00 0.00 31.31 29.02 1n55 n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1n55 n LYS 13 N -1.80 0.00 -2.59 -0.99 5.02 -1.26 -3.39 118.16 113.14 1n55 n LYS 13 Ca 0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 1n55 n LYS 13 Cb 0.22 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.24 1n55 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n55 s ASN 15 N -0.25 -0.17 0.00 0.00 0.01 -1.22 -5.12 114.94 108.19 1n55 s ASN 15 Ca 0.36 0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.76 1n55 s ASN 15 Cb 0.08 0.39 0.00 0.00 0.41 0.00 0.00 41.25 42.13 1n55 s ASN 15 CO 0.04 -0.22 0.00 0.61 -1.51 0.00 0.00 177.10 176.03 1n55 n GLY 16 N 2.29 4.40 3.47 0.66 0.00 -1.26 -4.73 105.19 110.01 1n55 n GLY 16 Ca -0.17 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.21 1n55 n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n55 s THR 17 N -2.06 1.80 0.21 2.61 -4.23 -1.26 -5.01 115.64 107.70 1n55 s THR 17 Ca 0.00 -2.14 -0.09 0.00 -1.18 0.00 0.00 61.69 58.28 1n55 s THR 17 Cb 0.00 -2.53 0.15 0.00 1.34 0.00 0.00 72.50 71.46 1n55 s THR 17 CO 0.00 -0.26 1.82 0.71 -0.54 0.00 0.00 174.62 176.35 1n55 h THR 18 N 2.19 1.00 -0.53 3.99 1.35 -2.00 -0.66 112.91 118.25 1n55 h THR 18 Ca -0.41 -0.25 -0.08 0.00 -0.55 0.00 0.00 66.41 65.12 1n55 h THR 18 Cb 1.24 0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.83 1n55 h THR 18 CO 0.68 0.14 0.02 0.00 -0.25 0.00 0.00 175.52 176.11 1n55 h ALA 19 N 1.34 0.71 -0.31 6.62 0.00 -1.99 -0.44 119.26 125.18 1n55 h ALA 19 Ca 0.30 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1n55 h ALA 19 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1n55 h ALA 19 CO -0.16 0.50 -0.33 0.66 0.00 0.00 0.00 179.25 179.92 1n55 h SER 20 N 0.79 0.72 -0.27 0.00 4.64 -1.86 -2.17 113.55 115.38 1n55 h SER 20 Ca 0.15 -0.29 -0.08 0.00 -0.47 0.00 0.00 61.79 61.10 1n55 h SER 20 Cb 0.49 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1n55 h SER 20 CO 0.02 0.99 -0.14 0.40 -0.87 0.00 0.00 176.83 177.23 1n55 h ILE 21 N 0.58 1.30 -0.80 0.95 2.04 -1.03 -1.09 117.51 119.46 1n55 h ILE 21 Ca 0.06 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.73 1n55 h ILE 21 Cb 0.85 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1n55 h ILE 21 CO 0.07 0.39 0.50 -0.33 0.00 0.00 0.00 178.15 178.79 1n55 h GLU 22 N 0.32 0.93 -0.26 2.37 5.08 -0.96 0.75 114.58 122.81 1n55 h GLU 22 Ca 0.06 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1n55 h GLU 22 Cb 0.66 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1n55 h GLU 22 CO 0.04 0.62 0.04 0.87 -1.00 0.00 0.00 179.01 179.57 1n55 h LYS 23 N 0.96 0.43 -0.43 2.33 1.57 -1.24 -2.05 116.57 118.13 1n55 h LYS 23 Ca 0.33 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1n55 h LYS 23 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1n55 h LYS 23 CO -0.13 0.56 -0.06 1.25 -0.57 0.00 0.00 179.45 180.50 1n55 h LEU 24 N 0.24 0.80 -1.06 2.94 5.85 -0.87 -2.06 115.31 121.15 1n55 h LEU 24 Ca 0.08 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.46 1n55 h LEU 24 Cb 0.34 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1n55 h LEU 24 CO 0.01 0.95 0.60 0.58 -0.34 0.00 0.00 178.44 180.24 1n55 h VAL 25 N 0.64 1.24 -0.72 1.05 2.07 -0.86 -0.67 116.25 119.00 1n55 h VAL 25 Ca 0.12 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1n55 h VAL 25 Cb 0.58 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1n55 h VAL 25 CO 0.03 0.24 0.39 1.56 0.02 0.00 0.00 177.57 179.82 1n55 h GLN 26 N 1.27 1.00 -0.47 1.57 1.08 -1.06 0.20 115.11 118.70 1n55 h GLN 26 Ca 0.34 -0.12 0.04 0.00 -1.45 0.00 0.00 58.65 57.46 1n55 h GLN 26 Cb -0.12 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.07 1n55 h GLN 26 CO -0.07 0.75 0.23 0.28 -0.95 0.00 0.00 178.83 179.07 1n55 h VAL 27 N 0.99 0.95 -0.60 -0.54 2.07 -0.70 -0.94 116.25 117.49 1n55 h VAL 27 Ca 0.25 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 1n55 h VAL 27 Cb 0.04 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1n55 h VAL 27 CO -0.04 0.08 0.06 -0.26 0.02 0.00 0.00 177.57 177.43 1n55 h PHE 28 N 0.46 1.06 -0.57 1.57 0.04 -0.64 -2.71 116.94 116.14 1n55 h PHE 28 Ca 0.21 -0.15 -0.07 0.00 2.80 0.00 0.00 57.97 60.75 1n55 h PHE 28 Cb 0.12 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 1n55 h PHE 28 CO -0.11 0.92 0.07 -0.91 -0.60 0.00 0.00 178.31 177.68 1n55 h ASN 29 N 0.93 0.88 1.16 2.17 2.35 -0.18 -2.97 115.58 119.91 1n55 h ASN 29 Ca 0.18 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1n55 h ASN 29 Cb 0.46 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1n55 h ASN 29 CO 0.02 0.90 0.00 -0.62 -1.65 0.00 0.00 177.43 176.08 1n55 n GLU 30 N -4.23 0.10 -2.82 0.81 1.02 -0.40 -4.63 120.64 110.51 1n55 n GLU 30 Ca 0.04 0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 1n55 n GLU 30 Cb 0.28 -1.62 -0.04 0.00 -0.02 0.00 0.00 31.44 30.04 1n55 n GLU 30 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1n55 s HIS 31 N -3.04 2.82 -0.24 -0.32 2.46 -1.04 -5.00 115.29 110.93 1n55 s HIS 31 Ca 0.12 0.14 -0.24 0.00 0.47 0.00 0.00 55.06 55.55 1n55 s HIS 31 Cb 0.16 -4.07 -0.01 0.00 -0.13 0.00 0.00 32.58 28.54 1n55 s HIS 31 CO 0.55 -1.29 0.82 0.99 -2.47 0.00 0.00 174.74 173.34 1n55 s THR 32 N 3.96 4.85 -0.20 0.89 2.01 -1.26 -4.99 115.64 120.89 1n55 s THR 32 Ca 0.33 1.55 -0.09 0.00 0.31 0.00 0.00 61.69 63.80 1n55 s THR 32 Cb -0.11 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1n55 s THR 32 CO 0.22 -0.06 0.10 -0.63 -0.69 0.00 0.00 174.62 173.56 1n55 s ILE 33 N 2.75 5.00 -0.27 1.82 1.01 -1.26 -5.00 121.20 125.26 1n55 s ILE 33 Ca 0.35 0.05 0.09 0.00 0.00 0.00 0.00 60.65 61.13 1n55 s ILE 33 Cb -0.15 -3.28 0.45 0.00 0.01 0.00 0.00 42.46 39.48 1n55 s ILE 33 CO 0.08 0.42 1.27 -1.54 0.00 0.00 0.00 174.94 175.17 1n55 n SER 34 N 3.81 3.11 -3.97 3.58 3.41 -1.26 -5.00 113.62 117.29 1n55 n SER 34 Ca -0.16 -3.84 -0.10 0.00 -0.26 0.00 0.00 58.87 54.52 1n55 n SER 34 Cb 0.52 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 1n55 n SER 34 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1n55 s HIS 35 N -3.38 0.41 -0.48 7.33 -3.43 -1.26 -5.11 115.29 109.36 1n55 s HIS 35 Ca 0.44 -0.76 -0.29 0.00 -0.80 0.00 0.00 55.06 53.66 1n55 s HIS 35 Cb 0.39 0.01 0.03 0.00 -1.43 0.00 0.00 32.58 31.58 1n55 s HIS 35 CO -0.02 -0.81 1.20 0.34 -2.00 0.00 0.00 174.74 173.45 1n55 s ASP 36 N -2.99 6.54 -0.16 7.38 2.15 -1.26 -4.96 116.67 123.37 1n55 s ASP 36 Ca 0.20 0.48 -0.17 0.00 0.43 0.00 0.00 52.55 53.49 1n55 s ASP 36 Cb 0.02 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 40.14 1n55 s ASP 36 CO 0.04 -1.33 0.46 0.54 -0.17 0.00 0.00 175.17 174.71 1n55 s VAL 37 N 4.74 0.00 -0.40 1.11 0.11 -1.26 -4.27 120.40 120.43 1n55 s VAL 37 Ca 0.50 -0.04 -0.18 0.00 -2.93 0.00 0.00 61.98 59.32 1n55 s VAL 37 Cb -0.08 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 1n55 s VAL 37 CO 0.31 -0.02 0.52 -1.58 -3.33 0.00 0.00 175.10 171.00 1n55 s GLN 38 N 0.05 3.35 0.14 1.54 2.00 -0.20 -4.86 119.66 121.67 1n55 s GLN 38 Ca -0.02 -0.43 -0.11 0.00 -2.00 0.00 0.00 55.36 52.80 1n55 s GLN 38 Cb -0.03 -3.90 -0.06 0.00 0.80 0.00 0.00 33.01 29.81 1n55 s GLN 38 CO 0.01 -0.81 0.49 0.00 -0.50 0.00 0.00 175.29 174.48 1n55 s VAL 40 N -1.51 0.40 -0.10 0.00 1.01 -0.26 -1.20 120.40 118.73 1n55 s VAL 40 Ca 0.38 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.25 1n55 s VAL 40 Cb -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1n55 s VAL 40 CO 0.19 0.14 -0.23 0.54 0.00 0.00 0.00 175.10 175.75 1n55 s VAL 41 N 0.28 1.97 -0.55 2.92 0.11 -0.42 -0.23 120.40 124.47 1n55 s VAL 41 Ca -0.03 -0.96 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 1n55 s VAL 41 Cb -0.07 -1.71 0.14 0.00 -1.53 0.00 0.00 36.38 33.22 1n55 s VAL 41 CO -0.00 0.54 0.32 0.00 -3.33 0.00 0.00 175.10 172.63 1n55 s ALA 42 N 0.43 3.40 0.85 1.54 0.00 0.43 -0.74 121.76 127.66 1n55 s ALA 42 Ca -0.17 -3.21 -0.12 0.00 0.00 0.00 0.00 51.96 48.46 1n55 s ALA 42 Cb -0.17 -2.37 0.10 0.00 0.00 0.00 0.00 23.12 20.68 1n55 s ALA 42 CO 0.07 -2.03 1.16 -2.14 0.00 0.00 0.00 175.76 172.82 1n55 s PRO 43 N -0.09 1.63 0.89 0.00 0.02 -1.24 -2.25 135.00 133.95 1n55 s PRO 43 Ca 0.16 0.19 -0.11 0.00 0.02 0.00 0.00 61.00 61.26 1n55 s PRO 43 Cb -0.23 -1.90 0.13 0.00 0.02 0.00 0.00 34.50 32.52 1n55 s PRO 43 CO -0.02 -1.84 1.15 0.95 -0.33 0.00 0.00 177.00 176.91 1n55 s THR 44 N -3.45 2.11 0.23 0.99 -4.23 -1.26 -4.40 115.64 105.63 1n55 s THR 44 Ca 0.63 0.04 -0.06 0.00 -1.18 0.00 0.00 61.69 61.12 1n55 s THR 44 Cb -0.13 -2.14 0.19 0.00 1.34 0.00 0.00 72.50 71.76 1n55 s THR 44 CO 0.51 -0.05 1.80 -0.26 -0.54 0.00 0.00 174.62 176.08 1n55 h PHE 45 N -1.68 0.76 0.00 3.99 0.05 -1.96 -1.13 116.94 116.97 1n55 h PHE 45 Ca -0.44 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.38 1n55 h PHE 45 Cb 1.27 -0.22 0.00 0.00 2.00 0.00 0.00 35.95 39.00 1n55 h PHE 45 CO 0.50 0.30 0.00 -0.39 -0.18 0.00 0.00 178.31 178.54 1n55 h VAL 46 N 0.71 0.00 -0.01 -0.55 -1.51 -2.03 -2.51 116.25 110.35 1n55 h VAL 46 Ca 0.37 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1n55 h VAL 46 Cb 0.35 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1n55 h VAL 46 CO -0.25 0.00 -0.32 1.41 -1.23 0.00 0.00 177.57 177.18 1n55 n HIS 47 N -2.84 0.00 -0.09 5.19 8.25 -0.45 -4.45 115.22 120.82 1n55 n HIS 47 Ca 0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.40 1n55 n HIS 47 Cb 0.28 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1n55 n HIS 47 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1n55 h ILE 48 N 1.59 0.96 -0.81 1.59 2.04 -1.13 -1.67 117.51 120.09 1n55 h ILE 48 Ca 0.00 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1n55 h ILE 48 Cb 0.58 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1n55 h ILE 48 CO 0.00 0.06 0.46 -0.65 0.00 0.00 0.00 178.15 178.02 1n55 h PRO 49 N 0.31 1.11 -0.27 2.37 0.11 -1.79 0.75 132.00 134.59 1n55 h PRO 49 Ca 0.14 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1n55 h PRO 49 Cb 0.07 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1n55 h PRO 49 CO -0.11 0.80 0.14 1.25 -0.21 0.00 0.00 178.00 179.87 1n55 h LEU 50 N 1.12 0.34 -0.76 2.35 5.85 -1.76 -0.48 115.31 121.97 1n55 h LEU 50 Ca 0.29 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1n55 h LEU 50 Cb -0.01 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1n55 h LEU 50 CO -0.05 0.35 0.28 0.58 -0.34 0.00 0.00 178.44 179.26 1n55 h VAL 51 N 0.31 1.26 -0.68 1.05 2.07 -0.83 -1.16 116.25 118.27 1n55 h VAL 51 Ca 0.09 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1n55 h VAL 51 Cb 0.09 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1n55 h VAL 51 CO -0.01 0.34 0.45 1.56 0.02 0.00 0.00 177.57 179.93 1n55 h GLN 52 N 1.12 0.85 -0.10 1.57 4.20 -0.51 0.74 115.11 122.98 1n55 h GLN 52 Ca 0.25 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.74 1n55 h GLN 52 Cb 0.25 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1n55 h GLN 52 CO -0.02 0.56 -0.65 0.00 -0.67 0.00 0.00 178.83 178.05 1n55 h ALA 53 N 1.59 0.70 0.00 3.87 0.00 -0.42 -3.38 119.26 121.62 1n55 h ALA 53 Ca 0.26 -0.57 -0.31 0.00 0.00 0.00 0.00 54.91 54.29 1n55 h ALA 53 Cb -0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1n55 h ALA 53 CO -0.06 0.74 -2.17 1.63 0.00 0.00 0.00 179.25 179.39 1n55 n LYS 54 N -3.87 1.11 -2.59 0.00 4.76 -0.50 -4.95 118.16 112.12 1n55 n LYS 54 Ca -0.03 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 1n55 n LYS 54 Cb 0.66 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.39 1n55 n LYS 54 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1n55 s LEU 55 N -5.44 4.25 0.00 -0.35 2.96 0.22 -4.88 118.68 115.44 1n55 s LEU 55 Ca -0.12 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.43 1n55 s LEU 55 Cb 0.05 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.19 1n55 s LEU 55 CO 0.65 -0.52 0.04 0.54 -1.32 0.00 0.00 176.35 175.74 1n55 n ARG 56 N 5.18 3.03 -1.69 1.98 5.12 -1.26 -4.89 116.66 124.12 1n55 n ARG 56 Ca 0.10 -0.04 -0.43 0.00 -1.93 0.00 0.00 57.85 55.55 1n55 n ARG 56 Cb 0.47 -0.33 -0.03 0.00 -1.16 0.00 0.00 32.46 31.41 1n55 n ARG 56 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1n55 n ASN 57 N -0.44 3.93 0.07 0.55 2.85 -1.26 -4.82 115.26 116.14 1n55 n ASN 57 Ca 0.00 1.00 0.09 0.00 -0.11 0.00 0.00 54.58 55.56 1n55 n ASN 57 Cb 0.02 -1.53 0.40 0.00 1.24 0.00 0.00 39.78 39.91 1n55 n ASN 57 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1n55 n PRO 58 N 5.35 0.10 0.00 1.20 -0.04 -1.26 -1.99 135.00 138.36 1n55 n PRO 58 Ca 0.18 0.36 0.14 0.00 -0.04 0.00 0.00 63.50 64.15 1n55 n PRO 58 Cb 0.36 -1.70 0.68 0.00 -0.04 0.00 0.00 33.50 32.79 1n55 n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1n55 n LYS 59 N -1.90 0.70 -4.00 0.54 4.76 -1.26 -4.90 118.16 112.10 1n55 n LYS 59 Ca 0.02 -0.19 -0.31 0.00 -2.87 0.00 0.00 58.31 54.97 1n55 n LYS 59 Cb 0.19 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.82 1n55 n LYS 59 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1n55 s TYR 60 N -2.42 3.34 0.23 2.13 1.51 -0.84 -0.62 117.35 120.66 1n55 s TYR 60 Ca 0.31 0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.60 1n55 s TYR 60 Cb 0.20 -1.70 -0.05 0.00 -0.11 0.00 0.00 41.96 40.31 1n55 s TYR 60 CO 0.46 0.56 -0.08 0.54 -1.11 0.00 0.00 175.55 175.91 1n55 s VAL 61 N -1.40 1.49 -0.11 0.71 0.11 -0.34 -4.96 120.40 115.90 1n55 s VAL 61 Ca 0.30 -2.13 -0.03 0.00 -2.93 0.00 0.00 61.98 57.20 1n55 s VAL 61 Cb -0.12 -2.21 -0.03 0.00 -1.53 0.00 0.00 36.38 32.48 1n55 s VAL 61 CO 0.23 -0.47 -0.00 -0.63 -3.33 0.00 0.00 175.10 170.90 1n55 s ILE 62 N -3.12 4.23 0.15 7.04 1.01 -1.26 -1.30 121.20 127.95 1n55 s ILE 62 Ca 0.25 -0.26 0.10 0.00 0.00 0.00 0.00 60.65 60.74 1n55 s ILE 62 Cb 0.02 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1n55 s ILE 62 CO 0.08 0.56 -0.24 -0.55 0.00 0.00 0.00 174.94 174.79 1n55 s SER 63 N -0.44 3.12 0.56 3.58 0.15 0.08 -4.01 113.70 116.75 1n55 s SER 63 Ca 0.08 -0.79 -0.10 0.00 0.70 0.00 0.00 55.95 55.84 1n55 s SER 63 Cb -0.12 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 63.94 1n55 s SER 63 CO 0.02 0.11 0.94 0.00 1.20 0.00 0.00 173.24 175.51 1n55 s ALA 64 N -1.42 3.20 -1.04 5.45 0.00 -0.55 -3.67 121.76 123.73 1n55 s ALA 64 Ca 0.15 -0.21 0.25 0.00 0.00 0.00 0.00 51.96 52.15 1n55 s ALA 64 Cb -0.09 -2.92 0.43 0.00 0.00 0.00 0.00 23.12 20.55 1n55 s ALA 64 CO 0.07 -0.54 1.36 1.04 0.00 0.00 0.00 175.76 177.70 1n55 n GLN 65 N -2.48 0.05 -3.63 0.00 6.02 -1.26 -1.12 117.38 114.95 1n55 n GLN 65 Ca 0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1n55 n GLN 65 Cb 0.54 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.30 1n55 n GLN 65 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1n55 s ASN 66 N -2.97 -0.08 0.08 1.08 2.47 -1.19 -4.57 114.94 109.75 1n55 s ASN 66 Ca 0.11 -0.15 -0.27 0.00 0.42 0.00 0.00 52.86 52.97 1n55 s ASN 66 Cb 0.17 0.20 0.08 0.00 -1.45 0.00 0.00 41.25 40.26 1n55 s ASN 66 CO 0.71 -0.37 0.92 0.00 -3.72 0.00 0.00 177.10 174.64 1n55 s ALA 67 N -2.54 -1.74 0.26 1.71 0.00 -1.26 -4.92 121.76 113.27 1n55 s ALA 67 Ca 0.13 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.73 1n55 s ALA 67 Cb 0.03 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1n55 s ALA 67 CO -0.03 -0.87 0.19 0.96 0.00 0.00 0.00 175.76 176.01 1n55 s ILE 68 N -3.20 4.26 0.16 0.00 -4.36 -0.36 -4.95 121.20 112.76 1n55 s ILE 68 Ca 0.09 -1.45 -0.06 0.00 -0.26 0.00 0.00 60.65 58.97 1n55 s ILE 68 Cb -0.01 -3.33 -0.08 0.00 1.25 0.00 0.00 42.46 40.29 1n55 s ILE 68 CO -0.04 -0.33 1.45 0.00 0.24 0.00 0.00 174.94 176.26 1n55 h ALA 69 N 1.50 0.59 -3.80 2.27 0.00 -1.94 0.58 119.26 118.46 1n55 h ALA 69 Ca -0.48 -0.53 -0.41 0.00 0.00 0.00 0.00 54.91 53.49 1n55 h ALA 69 Cb 1.24 -0.07 -0.26 0.00 0.00 0.00 0.00 17.79 18.70 1n55 h ALA 69 CO 0.60 0.69 -0.78 0.15 0.00 0.00 0.00 179.25 179.92 1n55 s LYS 70 N -3.96 0.82 0.77 0.00 -0.14 -1.26 -4.10 119.74 111.86 1n55 s LYS 70 Ca -0.08 -0.59 -0.12 0.00 -1.36 0.00 0.00 55.97 53.82 1n55 s LYS 70 Cb 0.11 -0.78 0.06 0.00 -1.68 0.00 0.00 37.83 35.53 1n55 s LYS 70 CO 0.86 0.20 1.12 -1.12 -0.76 0.00 0.00 175.35 175.65 1n55 s SER 71 N -0.82 4.31 0.00 2.83 0.01 -1.26 -4.78 113.70 114.00 1n55 s SER 71 Ca 0.01 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.26 1n55 s SER 71 Cb -0.06 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1n55 s SER 71 CO 0.00 -2.17 0.00 0.61 0.41 0.00 0.00 173.24 172.10 1n55 n GLY 72 N -0.61 0.37 2.88 3.44 0.00 -1.26 -5.00 105.19 105.01 1n55 n GLY 72 Ca 0.10 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1n55 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n55 n ALA 73 N -0.70 5.30 -3.27 4.61 0.00 -1.26 -4.71 120.51 120.47 1n55 n ALA 73 Ca 0.00 -4.21 -0.25 0.00 0.00 0.00 0.00 53.44 48.98 1n55 n ALA 73 Cb 0.00 -3.11 -0.07 0.00 0.00 0.00 0.00 19.45 16.27 1n55 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1n55 n PHE 74 N 4.50 1.25 -1.66 0.00 3.72 -1.26 -5.10 117.46 118.91 1n55 n PHE 74 Ca 0.42 -3.80 -0.47 0.00 -0.05 0.00 0.00 57.45 53.55 1n55 n PHE 74 Cb 0.37 -0.43 -0.04 0.00 -0.94 0.00 0.00 39.48 38.43 1n55 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1n55 n THR 75 N 1.13 0.03 0.00 4.37 -1.04 -1.26 -1.53 114.28 115.97 1n55 n THR 75 Ca 0.25 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1n55 n THR 75 Cb 0.49 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1n55 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n55 n GLY 76 N 3.33 2.25 3.97 3.41 0.00 -1.26 -5.06 105.19 111.83 1n55 n GLY 76 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1n55 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n55 s GLU 77 N -0.72 3.37 -0.10 1.61 0.41 -0.58 -5.11 118.70 117.58 1n55 s GLU 77 Ca 0.00 -0.76 0.04 0.00 -0.41 0.00 0.00 54.97 53.83 1n55 s GLU 77 Cb 0.00 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 1n55 s GLU 77 CO 0.00 0.32 -0.22 0.08 -0.49 0.00 0.00 175.26 174.95 1n55 s VAL 78 N -2.06 1.89 0.37 2.63 1.01 -1.26 -5.00 120.40 117.98 1n55 s VAL 78 Ca 0.37 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1n55 s VAL 78 Cb -0.09 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1n55 s VAL 78 CO 0.30 0.52 0.55 -0.94 0.00 0.00 0.00 175.10 175.53 1n55 s SER 79 N 0.45 6.05 0.17 3.32 1.04 -1.26 -1.22 113.70 122.25 1n55 s SER 79 Ca -0.17 0.17 -0.13 0.00 0.48 0.00 0.00 55.95 56.30 1n55 s SER 79 Cb -0.17 -1.62 0.07 0.00 0.10 0.00 0.00 66.02 64.40 1n55 s SER 79 CO 0.07 -0.45 1.82 0.24 0.98 0.00 0.00 173.24 175.90 1n55 h MET 80 N 0.72 0.75 -0.76 4.02 2.86 -1.02 -1.59 114.93 119.91 1n55 h MET 80 Ca -0.48 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.09 1n55 h MET 80 Cb 1.24 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.71 1n55 h MET 80 CO 0.58 0.53 0.43 -1.35 1.06 0.00 0.00 176.91 178.16 1n55 h PRO 81 N 0.75 1.04 -0.34 -0.22 0.11 -1.86 -0.56 132.00 130.92 1n55 h PRO 81 Ca 0.20 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1n55 h PRO 81 Cb -0.03 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.85 1n55 h PRO 81 CO -0.04 0.75 0.17 0.82 -0.21 0.00 0.00 178.00 179.49 1n55 h ILE 82 N 1.05 1.16 -0.41 4.15 2.04 -1.86 -1.32 117.51 122.32 1n55 h ILE 82 Ca 0.27 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1n55 h ILE 82 Cb -0.00 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1n55 h ILE 82 CO -0.05 0.16 0.26 -0.07 0.00 0.00 0.00 178.15 178.46 1n55 h LEU 83 N 0.42 0.48 -0.72 1.44 3.38 -0.90 -2.29 115.31 117.11 1n55 h LEU 83 Ca 0.12 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1n55 h LEU 83 Cb 0.11 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1n55 h LEU 83 CO -0.02 0.36 0.47 0.50 0.09 0.00 0.00 178.44 179.85 1n55 h LYS 84 N 0.55 0.91 -0.48 1.13 1.63 -0.89 -0.67 116.57 118.75 1n55 h LYS 84 Ca 0.15 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.86 1n55 h LYS 84 Cb -0.04 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.36 1n55 h LYS 84 CO -0.03 0.60 0.14 0.22 -3.45 0.00 0.00 179.45 176.93 1n55 h ASP 85 N 0.94 0.66 -0.07 4.20 3.58 -1.05 -2.01 116.42 122.67 1n55 h ASP 85 Ca 0.27 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1n55 h ASP 85 Cb -0.06 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.82 1n55 h ASP 85 CO -0.08 0.64 0.00 0.00 -2.88 0.00 0.00 179.24 176.92 1n55 n ILE 86 N -4.31 0.09 -0.23 2.25 3.06 -0.85 -4.91 119.36 114.46 1n55 n ILE 86 Ca 0.03 -0.18 0.00 0.00 -2.50 0.00 0.00 62.75 60.11 1n55 n ILE 86 Cb 0.19 0.06 0.00 0.00 0.54 0.00 0.00 39.64 40.44 1n55 n ILE 86 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1n55 n GLY 87 N 1.00 0.87 3.50 4.50 0.00 -0.76 -5.07 105.19 109.23 1n55 n GLY 87 Ca 0.16 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1n55 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n55 s VAL 88 N -2.00 4.75 -0.09 1.61 1.01 -0.32 -4.95 120.40 120.42 1n55 s VAL 88 Ca 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 61.98 61.99 1n55 s VAL 88 Cb 0.00 -3.29 0.19 0.00 0.00 0.00 0.00 36.38 33.28 1n55 s VAL 88 CO 0.00 0.24 1.09 0.00 0.00 0.00 0.00 175.10 176.42 1n55 n HIS 89 N 4.99 0.00 -4.69 5.22 1.44 -1.26 -3.22 115.22 117.70 1n55 n HIS 89 Ca -0.15 -0.71 -0.28 0.00 -2.01 0.00 0.00 57.72 54.57 1n55 n HIS 89 Cb 0.51 -0.11 -0.14 0.00 0.12 0.00 0.00 29.99 30.37 1n55 n HIS 89 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1n55 s TRP 90 N -2.00 2.17 -0.12 -1.40 0.52 -1.26 -0.59 118.94 116.27 1n55 s TRP 90 Ca 0.21 -0.40 -0.11 0.00 0.02 0.00 0.00 56.10 55.82 1n55 s TRP 90 Cb 0.19 -1.26 0.03 0.00 -1.15 0.00 0.00 33.47 31.28 1n55 s TRP 90 CO 0.02 0.17 0.32 0.54 0.02 0.00 0.00 176.95 178.02 1n55 s VAL 91 N -0.89 0.00 -0.09 4.03 0.11 -0.57 -1.48 120.40 121.51 1n55 s VAL 91 Ca 0.11 -0.02 -0.21 0.00 -2.93 0.00 0.00 61.98 58.93 1n55 s VAL 91 Cb -0.10 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 1n55 s VAL 91 CO 0.03 -0.01 0.58 -0.63 -3.33 0.00 0.00 175.10 171.74 1n55 s ILE 92 N 0.11 5.12 0.02 7.04 1.01 -0.28 -1.10 121.20 133.13 1n55 s ILE 92 Ca -0.01 1.19 0.04 0.00 0.00 0.00 0.00 60.65 61.87 1n55 s ILE 92 Cb -0.02 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1n55 s ILE 92 CO 0.01 0.29 -0.11 -0.76 0.00 0.00 0.00 174.94 174.36 1n55 s LEU 93 N 0.69 2.12 -0.64 2.97 1.43 -0.19 -3.18 118.68 121.88 1n55 s LEU 93 Ca 0.32 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1n55 s LEU 93 Cb -0.16 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.56 1n55 s LEU 93 CO 0.14 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1n55 n GLY 94 N 2.22 0.69 3.65 -3.19 0.00 -1.26 -1.30 105.19 106.00 1n55 n GLY 94 Ca -0.17 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 1n55 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1n55 n HIS 95 N -3.09 1.39 -0.31 1.61 -0.00 -1.26 -4.41 115.22 109.15 1n55 n HIS 95 Ca -0.07 0.48 0.13 0.00 0.46 0.00 0.00 57.72 58.72 1n55 n HIS 95 Cb 0.29 -2.24 0.36 0.00 -0.12 0.00 0.00 29.99 28.27 1n55 n HIS 95 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1n55 h SER 96 N 1.20 0.70 -0.12 0.26 0.87 -1.94 0.85 113.55 115.37 1n55 h SER 96 Ca -0.48 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.12 1n55 h SER 96 Cb 1.33 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1n55 h SER 96 CO 0.55 0.30 0.01 -0.33 -0.53 0.00 0.00 176.83 176.83 1n55 h GLU 97 N 0.71 0.31 0.15 2.24 5.08 -1.98 0.12 114.58 121.21 1n55 h GLU 97 Ca 0.51 -0.05 -0.28 0.00 -1.00 0.00 0.00 59.36 58.54 1n55 h GLU 97 Cb 0.84 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.05 1n55 h GLU 97 CO -0.28 0.33 -1.28 0.00 -1.00 0.00 0.00 179.01 176.78 1n55 h ARG 98 N 0.30 0.31 -0.45 2.33 3.08 -1.22 -0.05 114.38 118.68 1n55 h ARG 98 Ca 0.07 -0.54 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 1n55 h ARG 98 Cb 0.19 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1n55 h ARG 98 CO 0.00 1.26 0.22 0.00 -1.07 0.00 0.00 179.97 180.38 1n55 h ARG 99 N 0.09 0.63 0.02 0.04 3.08 -0.88 -1.83 114.38 115.53 1n55 h ARG 99 Ca -0.15 -0.07 -0.33 0.00 0.07 0.00 0.00 59.98 59.50 1n55 h ARG 99 Cb 2.00 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.88 1n55 h ARG 99 CO 0.22 0.49 -1.83 2.41 -1.07 0.00 0.00 179.97 180.19 1n55 n THR 100 N -4.40 1.57 -0.03 2.04 -1.04 0.00 -3.88 114.28 108.55 1n55 n THR 100 Ca 0.04 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.05 61.69 1n55 n THR 100 Cb 0.12 -1.91 -0.14 0.00 -1.82 0.00 0.00 70.33 66.58 1n55 n THR 100 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1n55 n TYR 101 N -4.16 0.94 -1.55 -1.42 4.01 -0.04 -4.59 117.16 110.35 1n55 n TYR 101 Ca -0.40 0.33 0.07 0.00 -0.16 0.00 0.00 57.90 57.74 1n55 n TYR 101 Cb 0.82 -1.17 0.15 0.00 -0.31 0.00 0.00 39.34 38.82 1n55 n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1n55 n TYR 102 N -3.06 0.00 -1.00 -0.72 4.01 -0.73 -5.00 117.16 110.66 1n55 n TYR 102 Ca -0.19 -1.08 0.00 0.00 -0.16 0.00 0.00 57.90 56.46 1n55 n TYR 102 Cb 1.06 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 1n55 n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n55 n GLY 103 N -0.95 0.44 3.51 2.72 0.00 -1.06 -4.88 105.19 104.97 1n55 n GLY 103 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1n55 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n55 s GLU 104 N -0.29 3.25 0.93 1.61 2.02 -0.93 -4.97 118.70 120.33 1n55 s GLU 104 Ca 0.00 -0.69 -0.12 0.00 0.02 0.00 0.00 54.97 54.18 1n55 s GLU 104 Cb 0.00 -4.43 0.15 0.00 0.10 0.00 0.00 34.13 29.95 1n55 s GLU 104 CO 0.00 -2.02 1.12 0.95 0.02 0.00 0.00 175.26 175.33 1n55 s THR 105 N 4.82 2.09 0.24 3.63 -4.23 -1.26 -4.26 115.64 116.68 1n55 s THR 105 Ca 0.32 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.82 1n55 s THR 105 Cb -0.10 -2.69 0.21 0.00 1.34 0.00 0.00 72.50 71.27 1n55 s THR 105 CO 0.08 -0.04 1.81 0.44 -0.54 0.00 0.00 174.62 176.37 1n55 h ASP 106 N -1.60 0.69 -0.36 3.99 3.32 -1.98 -0.03 116.42 120.45 1n55 h ASP 106 Ca -0.52 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1n55 h ASP 106 Cb 1.33 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1n55 h ASP 106 CO 0.60 0.40 0.14 -0.08 -1.72 0.00 0.00 179.24 178.58 1n55 h GLU 107 N 0.81 0.54 -0.37 3.56 4.57 -1.95 0.21 114.58 121.95 1n55 h GLU 107 Ca 0.40 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1n55 h GLU 107 Cb 0.35 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1n55 h GLU 107 CO -0.24 0.52 0.17 0.82 -1.18 0.00 0.00 179.01 179.10 1n55 h ILE 108 N 0.43 1.18 -0.26 2.32 2.04 -1.74 -0.42 117.51 121.07 1n55 h ILE 108 Ca 0.12 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1n55 h ILE 108 Cb 0.19 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1n55 h ILE 108 CO -0.01 0.19 0.16 0.58 0.00 0.00 0.00 178.15 179.07 1n55 h VAL 109 N 0.45 1.08 -0.67 1.67 2.07 -0.92 -1.18 116.25 118.76 1n55 h VAL 109 Ca 0.12 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1n55 h VAL 109 Cb 0.14 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1n55 h VAL 109 CO -0.01 0.08 0.41 0.00 0.02 0.00 0.00 177.57 178.06 1n55 h ALA 110 N 1.08 0.88 -0.46 1.67 0.00 -0.74 0.19 119.26 121.88 1n55 h ALA 110 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1n55 h ALA 110 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1n55 h ALA 110 CO -0.02 0.15 0.18 0.37 0.00 0.00 0.00 179.25 179.94 1n55 h GLN 111 N 0.79 0.68 -0.43 0.00 5.75 -0.84 -1.16 115.11 119.90 1n55 h GLN 111 Ca 0.28 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1n55 h GLN 111 Cb 0.06 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1n55 h GLN 111 CO -0.12 0.62 0.27 0.87 -2.65 0.00 0.00 178.83 177.81 1n55 h LYS 112 N 0.59 0.52 -0.67 1.69 1.57 -0.67 -1.11 116.57 118.50 1n55 h LYS 112 Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1n55 h LYS 112 Cb 0.19 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1n55 h LYS 112 CO -0.01 0.35 0.44 0.28 -0.57 0.00 0.00 179.45 179.93 1n55 h VAL 113 N 0.54 1.18 -0.60 0.50 2.07 -0.79 -0.06 116.25 119.09 1n55 h VAL 113 Ca 0.17 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1n55 h VAL 113 Cb -0.02 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1n55 h VAL 113 CO -0.06 0.17 0.28 0.77 0.02 0.00 0.00 177.57 178.75 1n55 h SER 114 N 0.91 0.78 -0.60 0.57 4.64 -0.92 -0.67 113.55 118.27 1n55 h SER 114 Ca 0.25 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1n55 h SER 114 Cb -0.09 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.77 1n55 h SER 114 CO -0.05 0.70 0.20 -0.33 -0.87 0.00 0.00 176.83 176.48 1n55 h GLU 115 N 0.81 0.92 -0.75 4.77 4.39 -0.94 -1.30 114.58 122.49 1n55 h GLU 115 Ca 0.20 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1n55 h GLU 115 Cb 0.13 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1n55 h GLU 115 CO -0.02 0.81 0.32 0.00 -1.16 0.00 0.00 179.01 178.96 1n55 h ALA 116 N 1.06 0.96 -0.61 3.43 0.00 -0.69 -1.34 119.26 122.08 1n55 h ALA 116 Ca 0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1n55 h ALA 116 Cb 0.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1n55 h ALA 116 CO -0.01 0.56 0.23 0.00 0.00 0.00 0.00 179.25 180.04 1n55 h LYS 118 N 0.85 0.48 -0.30 0.00 3.64 -0.86 -1.28 116.57 119.09 1n55 h LYS 118 Ca 0.20 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1n55 h LYS 118 Cb 0.22 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1n55 h LYS 118 CO -0.01 0.32 0.00 1.04 -2.27 0.00 0.00 179.45 178.52 1n55 n GLN 119 N -4.48 1.68 -0.81 1.90 6.02 -0.54 -4.92 117.38 116.24 1n55 n GLN 119 Ca 0.04 -1.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.01 1n55 n GLN 119 Cb 0.14 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1n55 n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n55 n GLY 120 N 0.93 0.52 3.85 1.08 0.00 -0.48 -5.04 105.19 106.04 1n55 n GLY 120 Ca 0.10 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 1n55 n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n55 s PHE 121 N -2.00 3.42 0.03 1.61 0.40 -0.43 -4.97 117.98 116.04 1n55 s PHE 121 Ca 0.00 1.32 -0.25 0.00 -0.60 0.00 0.00 56.93 57.39 1n55 s PHE 121 Cb 0.00 -2.65 -0.05 0.00 0.51 0.00 0.00 43.02 40.83 1n55 s PHE 121 CO 0.00 -0.18 0.78 -1.64 0.70 0.00 0.00 175.22 174.89 1n55 s MET 122 N -3.70 4.50 -0.10 0.44 -1.94 0.25 -4.50 119.30 114.24 1n55 s MET 122 Ca 0.56 1.09 0.03 0.00 -1.71 0.00 0.00 55.69 55.66 1n55 s MET 122 Cb -0.10 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.36 1n55 s MET 122 CO 0.26 0.23 -0.22 0.08 -0.01 0.00 0.00 175.02 175.37 1n55 s VAL 123 N 0.13 1.92 -0.52 -6.03 1.01 -0.03 -1.52 120.40 115.37 1n55 s VAL 123 Ca 0.40 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 1n55 s VAL 123 Cb -0.20 -1.68 0.11 0.00 0.00 0.00 0.00 36.38 34.60 1n55 s VAL 123 CO 0.23 0.53 0.50 -0.63 0.00 0.00 0.00 175.10 175.73 1n55 s ILE 124 N 0.51 5.15 -0.25 2.22 1.01 -0.26 -0.61 121.20 128.97 1n55 s ILE 124 Ca -0.15 -1.24 -0.14 0.00 0.00 0.00 0.00 60.65 59.11 1n55 s ILE 124 Cb -0.17 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 1n55 s ILE 124 CO 0.06 -0.81 0.34 0.00 0.00 0.00 0.00 174.94 174.53 1n55 s ALA 125 N 1.82 3.57 -0.08 9.38 0.00 0.18 -1.02 121.76 135.60 1n55 s ALA 125 Ca 0.05 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1n55 s ALA 125 Cb -0.27 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 1n55 s ALA 125 CO 0.05 -0.51 0.26 0.00 0.00 0.00 0.00 175.76 175.56 1n55 s ILE 127 N -0.85 0.26 0.00 0.00 -0.00 -0.38 -4.68 121.20 115.55 1n55 s ILE 127 Ca 0.18 -1.91 0.00 0.00 -0.00 0.00 0.00 60.65 58.93 1n55 s ILE 127 Cb -0.14 -1.94 0.00 0.00 -0.00 0.00 0.00 42.46 40.38 1n55 s ILE 127 CO 0.08 -0.59 0.00 0.61 -0.00 0.00 0.00 174.94 175.04 1n55 n GLY 128 N -0.08 3.76 3.94 6.27 0.00 -1.26 -1.01 105.19 116.81 1n55 n GLY 128 Ca -0.08 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 1n55 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n55 s GLU 129 N -2.38 3.49 0.70 1.61 1.03 -1.26 -4.73 118.70 117.15 1n55 s GLU 129 Ca 0.00 -0.40 -0.09 0.00 0.03 0.00 0.00 54.97 54.51 1n55 s GLU 129 Cb 0.00 -2.76 0.04 0.00 -0.80 0.00 0.00 34.13 30.61 1n55 s GLU 129 CO 0.00 0.28 1.04 0.95 -1.33 0.00 0.00 175.26 176.20 1n55 s THR 130 N -2.11 2.91 0.18 1.83 -4.23 -1.26 -0.81 115.64 112.14 1n55 s THR 130 Ca 0.39 0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.81 1n55 s THR 130 Cb -0.10 -3.25 0.11 0.00 1.34 0.00 0.00 72.50 70.60 1n55 s THR 130 CO 0.32 -0.29 1.70 0.25 -0.54 0.00 0.00 174.62 176.06 1n55 h LEU 131 N -0.59 -0.11 -0.68 4.79 5.85 -1.97 -0.51 115.31 122.10 1n55 h LEU 131 Ca -0.45 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 1n55 h LEU 131 Cb 1.29 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 1n55 h LEU 131 CO 0.62 -0.02 0.24 -0.61 -0.34 0.00 0.00 178.44 178.34 1n55 h GLN 132 N 0.16 1.03 -0.67 1.25 5.75 -1.99 -1.01 115.11 119.63 1n55 h GLN 132 Ca 0.24 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1n55 h GLN 132 Cb 0.34 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.70 1n55 h GLN 132 CO -0.36 0.87 0.40 1.96 -2.65 0.00 0.00 178.83 179.05 1n55 h GLN 133 N 0.97 0.91 -0.42 1.69 4.20 -1.83 -1.87 115.11 118.76 1n55 h GLN 133 Ca 0.22 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1n55 h GLN 133 Cb 0.25 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1n55 h GLN 133 CO -0.01 0.66 0.21 -0.09 -0.67 0.00 0.00 178.83 178.92 1n55 h ARG 134 N 0.91 0.61 -0.02 1.46 2.43 -0.86 0.11 114.38 119.02 1n55 h ARG 134 Ca 0.24 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1n55 h ARG 134 Cb -0.01 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1n55 h ARG 134 CO -0.04 0.52 -0.07 1.49 -1.51 0.00 0.00 179.97 180.36 1n55 h GLU 135 N 0.54 0.02 -0.10 0.20 4.57 -0.88 -1.16 114.58 117.79 1n55 h GLU 135 Ca 0.15 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1n55 h GLU 135 Cb 0.11 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1n55 h GLU 135 CO -0.02 0.10 0.00 0.00 -1.18 0.00 0.00 179.01 177.91 1n55 n ALA 136 N -2.52 2.54 -3.17 2.92 0.00 -0.73 -4.90 120.51 114.65 1n55 n ALA 136 Ca -0.03 -0.28 -0.21 0.00 0.00 0.00 0.00 53.44 52.92 1n55 n ALA 136 Cb 0.16 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.52 1n55 n ALA 136 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n55 n ASN 137 N -0.23 -5.94 -0.84 0.00 3.02 -0.44 -4.90 115.26 105.93 1n55 n ASN 137 Ca 0.12 -0.35 0.08 0.00 -0.03 0.00 0.00 54.58 54.40 1n55 n ASN 137 Cb 0.16 -4.69 0.16 0.00 -0.61 0.00 0.00 39.78 34.80 1n55 n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n55 n GLN 138 N -4.13 2.21 -0.01 3.52 6.02 -0.01 -4.71 117.38 120.27 1n55 n GLN 138 Ca -0.07 -1.99 -0.09 0.00 -0.01 0.00 0.00 57.00 54.84 1n55 n GLN 138 Cb 0.59 -1.37 -0.03 0.00 1.02 0.00 0.00 30.24 30.46 1n55 n GLN 138 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1n55 h THR 139 N 3.11 0.42 -0.34 5.09 2.02 -1.85 -0.30 112.91 121.06 1n55 h THR 139 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1n55 h THR 139 Cb 0.78 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1n55 h THR 139 CO 0.00 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.07 1n55 h ALA 140 N 0.68 0.44 -0.83 6.16 0.00 -1.96 -1.04 119.26 122.71 1n55 h ALA 140 Ca 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1n55 h ALA 140 Cb 0.45 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1n55 h ALA 140 CO -0.31 -0.02 0.54 0.87 0.00 0.00 0.00 179.25 180.33 1n55 h LYS 141 N 0.42 1.04 0.35 0.00 1.57 -1.77 -0.70 116.57 117.48 1n55 h LYS 141 Ca 0.12 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1n55 h LYS 141 Cb 0.09 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1n55 h LYS 141 CO -0.02 0.69 -0.17 0.28 -0.57 0.00 0.00 179.45 179.66 1n55 h VAL 142 N 1.07 0.65 -0.24 0.50 2.07 -0.79 -0.57 116.25 118.95 1n55 h VAL 142 Ca 0.32 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1n55 h VAL 142 Cb -0.05 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1n55 h VAL 142 CO -0.09 0.09 -0.25 -0.37 0.02 0.00 0.00 177.57 176.96 1n55 h VAL 143 N -0.72 1.26 -0.33 2.57 -1.51 -1.05 -0.34 116.25 116.13 1n55 h VAL 143 Ca -0.05 -1.25 -0.11 0.00 -1.23 0.00 0.00 66.70 64.06 1n55 h VAL 143 Cb 0.50 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 1n55 h VAL 143 CO 0.08 0.40 -0.25 -0.07 -1.23 0.00 0.00 177.57 176.49 1n55 h LEU 144 N 0.40 0.66 -0.62 4.19 3.38 -1.13 -1.15 115.31 121.05 1n55 h LEU 144 Ca 0.06 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 1n55 h LEU 144 Cb 0.66 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1n55 h LEU 144 CO 0.05 0.89 0.01 0.28 0.09 0.00 0.00 178.44 179.76 1n55 h SER 145 N 0.57 1.06 -0.56 -0.43 0.02 -0.62 0.10 113.55 113.69 1n55 h SER 145 Ca 0.08 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.66 1n55 h SER 145 Cb 0.73 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1n55 h SER 145 CO 0.06 1.10 0.08 1.56 -1.14 0.00 0.00 176.83 178.49 1n55 h GLN 146 N 0.99 0.93 -0.25 3.45 4.20 -0.95 -1.25 115.11 122.23 1n55 h GLN 146 Ca 0.18 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1n55 h GLN 146 Cb 0.55 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1n55 h GLN 146 CO 0.03 0.90 -0.08 1.15 -0.67 0.00 0.00 178.83 180.16 1n55 h THR 147 N 0.83 1.29 -0.32 -0.54 2.02 -1.10 -2.91 112.91 112.17 1n55 h THR 147 Ca 0.17 -1.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.18 1n55 h THR 147 Cb 0.43 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1n55 h THR 147 CO 0.01 0.35 -0.03 0.77 0.37 0.00 0.00 175.52 176.99 1n55 h SER 148 N 0.22 0.47 -0.49 4.18 4.64 -0.69 0.33 113.55 122.22 1n55 h SER 148 Ca 0.06 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1n55 h SER 148 Cb 0.56 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1n55 h SER 148 CO 0.03 0.56 0.27 0.00 -0.87 0.00 0.00 176.83 176.82 1n55 h ALA 149 N 1.50 0.63 0.01 5.18 0.00 -1.14 -0.93 119.26 124.51 1n55 h ALA 149 Ca 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n55 h ALA 149 Cb 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1n55 h ALA 149 CO 0.01 0.15 -0.00 0.82 0.00 0.00 0.00 179.25 180.23 1n55 h ILE 150 N 0.65 1.01 -0.73 0.00 2.04 -1.25 -3.12 117.51 116.11 1n55 h ILE 150 Ca 0.17 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 66.03 1n55 h ILE 150 Cb 0.05 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1n55 h ILE 150 CO -0.03 0.01 0.48 0.00 0.00 0.00 0.00 178.15 178.62 1n55 h ALA 151 N 0.95 1.65 0.00 1.87 0.00 -0.62 -2.09 119.26 121.02 1n55 h ALA 151 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n55 h ALA 151 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1n55 h ALA 151 CO 0.00 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1n55 h ALA 152 N 1.59 1.00 -0.34 0.00 0.00 -1.11 -1.51 119.26 118.89 1n55 h ALA 152 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1n55 h ALA 152 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1n55 h ALA 152 CO -0.10 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.78 1n55 n LYS 153 N -2.83 2.29 -4.81 0.00 5.02 -0.79 -4.97 118.16 112.08 1n55 n LYS 153 Ca -0.01 -2.10 -0.33 0.00 -2.02 0.00 0.00 58.31 53.85 1n55 n LYS 153 Cb 0.13 -1.42 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 1n55 n LYS 153 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1n55 s LEU 154 N -1.28 2.84 0.76 -0.35 1.43 -0.57 -4.76 118.68 116.75 1n55 s LEU 154 Ca 0.32 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1n55 s LEU 154 Cb 0.19 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.86 1n55 s LEU 154 CO 0.26 0.32 1.08 0.28 0.23 0.00 0.00 176.35 178.52 1n55 s THR 155 N -0.56 3.47 0.19 5.49 -1.32 -1.26 -4.96 115.64 116.68 1n55 s THR 155 Ca 0.08 0.48 -0.12 0.00 -1.21 0.00 0.00 61.69 60.92 1n55 s THR 155 Cb -0.12 -3.11 0.10 0.00 -1.51 0.00 0.00 72.50 67.87 1n55 s THR 155 CO 0.01 -0.62 1.78 0.50 -2.21 0.00 0.00 174.62 174.08 1n55 h LYS 156 N -1.02 0.50 0.00 7.08 3.64 -1.95 -1.98 116.57 122.84 1n55 h LYS 156 Ca -0.45 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1n55 h LYS 156 Cb 1.24 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1n55 h LYS 156 CO 0.55 0.33 -0.06 -0.44 -2.27 0.00 0.00 179.45 177.56 1n55 h ASP 157 N 0.51 0.00 0.26 4.20 3.32 -2.00 -2.19 116.42 120.53 1n55 h ASP 157 Ca 0.25 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1n55 h ASP 157 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1n55 h ASP 157 CO -0.19 0.06 -0.08 0.00 -1.72 0.00 0.00 179.24 177.31 1n55 h ALA 158 N 1.94 1.34 0.00 3.45 0.00 -1.73 -2.75 119.26 121.52 1n55 h ALA 158 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1n55 h ALA 158 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1n55 h ALA 158 CO 0.01 0.10 0.00 -1.49 0.00 0.00 0.00 179.25 177.87 1n55 h TRP 159 N 0.00 0.00 0.00 0.00 4.06 -1.48 -0.32 115.95 118.21 1n55 h TRP 159 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1n55 h TRP 159 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1n55 h TRP 159 CO 0.00 0.00 0.00 -0.91 -3.56 0.00 0.00 178.44 173.97 1n55 h ASN 160 N 0.00 0.00 -0.01 -3.49 2.35 -1.69 -1.83 115.58 110.90 1n55 h ASN 160 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n55 h ASN 160 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1n55 h ASN 160 CO 0.00 0.00 -0.18 0.00 -1.65 0.00 0.00 177.43 175.60 1n55 n GLN 161 N -2.93 1.83 -3.92 0.81 6.02 -0.13 -4.98 117.38 114.08 1n55 n GLN 161 Ca -0.02 -1.48 -0.37 0.00 -0.01 0.00 0.00 57.00 55.12 1n55 n GLN 161 Cb 0.12 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 1n55 n GLN 161 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1n55 s VAL 162 N -2.19 5.40 -0.07 5.09 1.01 -0.69 -0.85 120.40 128.10 1n55 s VAL 162 Ca 0.25 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.43 1n55 s VAL 162 Cb 0.19 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1n55 s VAL 162 CO 0.41 0.62 -0.15 -0.69 0.00 0.00 0.00 175.10 175.29 1n55 s VAL 163 N -1.00 1.33 0.01 2.92 1.01 0.22 -4.54 120.40 120.35 1n55 s VAL 163 Ca 0.15 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1n55 s VAL 163 Cb -0.12 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1n55 s VAL 163 CO 0.04 0.40 0.36 -0.76 0.00 0.00 0.00 175.10 175.13 1n55 s LEU 164 N 0.56 4.42 -0.25 3.92 1.43 -0.49 -0.65 118.68 127.62 1n55 s LEU 164 Ca -0.15 0.81 0.02 0.00 -1.03 0.00 0.00 54.13 53.78 1n55 s LEU 164 Cb -0.16 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.47 1n55 s LEU 164 CO 0.05 0.28 -0.09 0.00 0.23 0.00 0.00 176.35 176.82 1n55 s ALA 165 N -1.19 2.30 -0.38 4.21 0.00 -0.05 -0.26 121.76 126.38 1n55 s ALA 165 Ca 0.26 -1.58 -0.24 0.00 0.00 0.00 0.00 51.96 50.40 1n55 s ALA 165 Cb -0.15 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.47 1n55 s ALA 165 CO 0.14 -1.19 0.81 -0.47 0.00 0.00 0.00 175.76 175.04 1n55 s TYR 166 N 1.23 3.08 -0.32 0.00 5.04 0.45 -1.25 117.35 125.58 1n55 s TYR 166 Ca -0.08 0.51 0.01 0.00 -2.44 0.00 0.00 57.07 55.08 1n55 s TYR 166 Cb -0.19 -3.49 0.10 0.00 0.35 0.00 0.00 41.96 38.72 1n55 s TYR 166 CO -0.06 -0.80 0.09 -1.21 -1.34 0.00 0.00 175.55 172.23 1n55 s GLU 167 N 3.20 0.95 0.25 4.97 2.02 -0.18 -1.25 118.70 128.66 1n55 s GLU 167 Ca 0.32 -1.33 -0.31 0.00 0.02 0.00 0.00 54.97 53.67 1n55 s GLU 167 Cb -0.13 -2.36 -0.12 0.00 0.10 0.00 0.00 34.13 31.62 1n55 s GLU 167 CO 0.18 -0.98 1.56 -2.30 0.02 0.00 0.00 175.26 173.75 1n55 n PRO 168 N 4.65 2.47 -0.05 0.39 -0.02 -1.25 -4.29 135.00 136.89 1n55 n PRO 168 Ca -0.00 0.88 -0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1n55 n PRO 168 Cb 0.42 -2.64 0.28 0.00 -0.02 0.00 0.00 33.50 31.54 1n55 n PRO 168 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1n55 h VAL 169 N 3.37 1.19 0.00 -1.45 2.07 -1.26 -0.88 116.25 119.30 1n55 h VAL 169 Ca -0.46 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1n55 h VAL 169 Cb 1.24 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1n55 h VAL 169 CO 0.82 0.26 0.00 -2.67 0.02 0.00 0.00 177.57 176.00 1n55 n TRP 170 N -4.31 0.14 1.02 1.57 4.27 -1.26 -2.02 117.44 116.85 1n55 n TRP 170 Ca 0.03 0.06 0.11 0.00 -3.89 0.00 0.00 57.50 53.80 1n55 n TRP 170 Cb 0.21 -0.60 -0.02 0.00 -1.36 0.00 0.00 31.31 29.54 1n55 n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1n55 n ALA 171 N -1.55 4.14 -2.60 -1.67 0.00 -0.34 -4.69 120.51 113.81 1n55 n ALA 171 Ca 0.03 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 1n55 n ALA 171 Cb 0.14 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1n55 n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1n55 s ILE 172 N -2.79 4.46 0.00 0.00 1.01 -0.86 -2.05 121.20 120.98 1n55 s ILE 172 Ca 0.13 1.19 0.00 0.00 0.00 0.00 0.00 60.65 61.97 1n55 s ILE 172 Cb 0.17 -4.43 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1n55 s ILE 172 CO 0.73 -0.71 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1n55 n GLY 173 N 4.54 0.61 0.00 6.18 0.00 -1.26 -4.86 105.19 110.40 1n55 n GLY 173 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1n55 n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n55 n THR 174 N -2.19 0.00 0.00 2.61 -2.24 -1.25 -4.97 114.28 106.24 1n55 n THR 174 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1n55 n THR 174 Cb 0.04 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1n55 n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n55 n GLY 175 N 1.46 2.22 3.11 3.38 0.00 -1.26 -4.96 105.19 109.15 1n55 n GLY 175 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1n55 n GLY 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n55 n LYS 176 N -1.97 3.03 -1.89 1.61 4.76 -1.26 -4.97 118.16 117.47 1n55 n LYS 176 Ca 0.00 -2.93 -0.38 0.00 -2.87 0.00 0.00 58.31 52.13 1n55 n LYS 176 Cb 0.00 -3.37 0.03 0.00 -1.84 0.00 0.00 35.03 29.86 1n55 n LYS 176 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1n55 s VAL 177 N 3.56 2.32 0.46 -0.18 0.11 -1.26 -4.24 120.40 121.18 1n55 s VAL 177 Ca 0.50 0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 59.54 1n55 s VAL 177 Cb 0.09 -3.11 -0.07 0.00 -1.53 0.00 0.00 36.38 31.76 1n55 s VAL 177 CO -0.01 -0.01 1.24 0.00 -3.33 0.00 0.00 175.10 172.98 1n55 s ALA 178 N -1.40 3.02 0.82 1.54 0.00 -1.26 -5.01 121.76 119.47 1n55 s ALA 178 Ca 0.72 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.66 1n55 s ALA 178 Cb -0.37 -3.44 0.08 0.00 0.00 0.00 0.00 23.12 19.39 1n55 s ALA 178 CO 0.42 -0.83 1.09 0.95 0.00 0.00 0.00 175.76 177.39 1n55 s THR 179 N -1.42 3.07 0.33 0.00 -4.23 -1.26 -4.79 115.64 107.34 1n55 s THR 179 Ca 0.63 0.35 0.04 0.00 -1.18 0.00 0.00 61.69 61.53 1n55 s THR 179 Cb -0.33 -2.87 0.29 0.00 1.34 0.00 0.00 72.50 70.93 1n55 s THR 179 CO 0.41 -0.46 1.91 -0.65 -0.54 0.00 0.00 174.62 175.29 1n55 h PRO 180 N -1.27 0.86 -0.40 3.99 0.11 -1.95 -0.64 132.00 132.70 1n55 h PRO 180 Ca -0.46 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 1n55 h PRO 180 Cb 1.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1n55 h PRO 180 CO 0.54 0.57 -0.31 0.93 -0.21 0.00 0.00 178.00 179.51 1n55 h GLU 181 N 0.88 0.92 0.01 1.05 3.07 -1.95 0.19 114.58 118.75 1n55 h GLU 181 Ca 0.39 -0.45 0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1n55 h GLU 181 Cb 0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1n55 h GLU 181 CO -0.16 1.11 -0.04 1.96 -1.40 0.00 0.00 179.01 180.48 1n55 h GLN 182 N 0.74 -0.07 -0.17 2.33 4.20 -1.71 -1.85 115.11 118.58 1n55 h GLN 182 Ca 0.07 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1n55 h GLN 182 Cb 0.90 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1n55 h GLN 182 CO 0.08 -0.05 0.03 0.00 -0.67 0.00 0.00 178.83 178.23 1n55 h ALA 183 N 0.92 0.22 -0.96 3.87 0.00 -1.06 -3.08 119.26 119.17 1n55 h ALA 183 Ca 0.01 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1n55 h ALA 183 Cb 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1n55 h ALA 183 CO -0.04 -0.13 0.63 0.37 0.00 0.00 0.00 179.25 180.08 1n55 h GLN 184 N 0.07 1.16 -0.67 0.00 5.75 -0.90 -0.65 115.11 119.88 1n55 h GLN 184 Ca 0.05 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 1n55 h GLN 184 Cb 0.28 -0.26 -0.05 0.00 1.07 0.00 0.00 27.48 28.52 1n55 h GLN 184 CO 0.00 0.77 0.38 1.49 -2.65 0.00 0.00 178.83 178.83 1n55 h GLU 185 N 1.20 0.70 -0.22 1.69 4.81 -1.25 0.17 114.58 121.67 1n55 h GLU 185 Ca 0.38 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.42 1n55 h GLU 185 Cb 0.02 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1n55 h GLU 185 CO -0.12 0.46 -0.45 0.28 -0.73 0.00 0.00 179.01 178.45 1n55 h VAL 186 N 0.72 1.31 -0.74 0.32 2.07 -1.31 -2.60 116.25 116.02 1n55 h VAL 186 Ca 0.29 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 1n55 h VAL 186 Cb 0.15 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1n55 h VAL 186 CO -0.16 0.52 0.34 0.45 0.02 0.00 0.00 177.57 178.74 1n55 h HIS 187 N 0.39 1.05 -0.44 1.57 3.86 -0.85 -0.52 115.15 120.22 1n55 h HIS 187 Ca 0.00 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1n55 h HIS 187 Cb 1.06 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 29.18 1n55 h HIS 187 CO 0.09 0.77 0.24 1.25 0.86 0.00 0.00 177.93 181.14 1n55 h LEU 188 N 1.05 0.55 -0.60 2.43 5.85 -0.95 -0.69 115.31 122.94 1n55 h LEU 188 Ca 0.25 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1n55 h LEU 188 Cb 0.12 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1n55 h LEU 188 CO -0.03 0.49 0.12 0.25 -0.34 0.00 0.00 178.44 178.93 1n55 h LEU 189 N 0.57 0.94 -0.20 2.25 5.85 -1.04 -1.10 115.31 122.58 1n55 h LEU 189 Ca 0.15 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1n55 h LEU 189 Cb 0.06 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1n55 h LEU 189 CO -0.02 0.95 0.09 -0.07 -0.34 0.00 0.00 178.44 179.04 1n55 h LEU 190 N 0.89 0.26 -1.02 2.25 3.38 -0.93 -1.49 115.31 118.65 1n55 h LEU 190 Ca 0.19 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1n55 h LEU 190 Cb 0.39 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1n55 h LEU 190 CO 0.01 0.31 0.11 -0.09 0.09 0.00 0.00 178.44 178.87 1n55 h ARG 191 N 0.19 0.82 -0.41 1.13 2.43 -0.93 -0.94 114.38 116.66 1n55 h ARG 191 Ca 0.07 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1n55 h ARG 191 Cb 0.12 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1n55 h ARG 191 CO -0.01 0.75 0.23 -0.22 -1.51 0.00 0.00 179.97 179.21 1n55 h LYS 192 N 0.78 0.56 -0.49 0.20 3.64 -1.02 0.78 116.57 121.02 1n55 h LYS 192 Ca 0.17 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1n55 h LYS 192 Cb 0.31 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1n55 h LYS 192 CO 0.00 0.44 0.31 2.35 -2.27 0.00 0.00 179.45 180.29 1n55 h TRP 193 N 0.53 0.63 -0.50 1.91 7.01 -0.77 -1.13 115.95 123.63 1n55 h TRP 193 Ca 0.14 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 1n55 h TRP 193 Cb 0.04 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.87 1n55 h TRP 193 CO -0.03 0.42 0.24 0.28 -2.79 0.00 0.00 178.44 176.57 1n55 h VAL 194 N 0.66 1.19 -0.45 2.65 2.07 -0.92 0.14 116.25 121.60 1n55 h VAL 194 Ca 0.18 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1n55 h VAL 194 Cb -0.05 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1n55 h VAL 194 CO -0.04 0.21 0.27 -1.28 0.02 0.00 0.00 177.57 176.75 1n55 h SER 195 N 0.66 0.43 0.67 0.57 0.87 -0.55 0.17 113.55 116.37 1n55 h SER 195 Ca 0.17 0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.55 1n55 h SER 195 Cb 0.11 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1n55 h SER 195 CO -0.02 0.30 -0.87 -0.33 -0.53 0.00 0.00 176.83 175.38 1n55 h GLU 196 N 0.53 0.13 0.00 2.24 5.08 -0.96 -3.05 114.58 118.56 1n55 h GLU 196 Ca 0.18 -0.14 -0.37 0.00 -1.00 0.00 0.00 59.36 58.03 1n55 h GLU 196 Cb 0.02 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 1n55 h GLU 196 CO -0.09 0.91 -2.40 0.09 -1.00 0.00 0.00 179.01 176.53 1n55 n ASN 197 N -3.62 0.54 -0.07 1.42 4.13 0.02 -4.78 115.26 112.89 1n55 n ASN 197 Ca -0.03 -0.03 -0.15 0.00 1.68 0.00 0.00 54.58 56.05 1n55 n ASN 197 Cb 0.81 0.65 -0.05 0.00 -1.54 0.00 0.00 39.78 39.64 1n55 n ASN 197 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1n55 n ILE 198 N -2.87 1.07 0.00 2.41 2.08 0.51 -5.06 119.36 117.50 1n55 n ILE 198 Ca -0.36 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 62.84 1n55 n ILE 198 Cb 1.11 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 38.18 1n55 n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1n55 n GLY 199 N 2.00 3.41 0.25 7.39 0.00 -0.69 -4.90 105.19 112.65 1n55 n GLY 199 Ca -0.27 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.86 1n55 n GLY 199 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1n55 h THR 200 N 2.24 1.27 -0.44 2.61 1.35 -1.83 -1.23 112.91 116.87 1n55 h THR 200 Ca 0.00 -1.32 -0.07 0.00 -0.55 0.00 0.00 66.41 64.47 1n55 h THR 200 Cb 0.00 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 67.71 1n55 h THR 200 CO 0.00 0.43 -0.00 -2.24 -0.25 0.00 0.00 175.52 173.45 1n55 h ASP 201 N 0.53 0.77 -0.09 5.36 2.03 -1.93 -1.96 116.42 121.14 1n55 h ASP 201 Ca 0.07 -0.31 -0.00 0.00 -0.73 0.00 0.00 57.03 56.06 1n55 h ASP 201 Cb 0.71 -0.21 -0.00 0.00 -0.83 0.00 0.00 39.33 39.00 1n55 h ASP 201 CO 0.05 0.89 0.05 0.58 -1.03 0.00 0.00 179.24 179.79 1n55 h VAL 202 N 0.63 1.06 -0.94 4.15 2.07 -1.86 -2.72 116.25 118.64 1n55 h VAL 202 Ca 0.13 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1n55 h VAL 202 Cb 0.50 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1n55 h VAL 202 CO 0.02 0.06 0.59 0.00 0.02 0.00 0.00 177.57 178.26 1n55 h ALA 203 N 0.98 1.27 0.00 1.67 0.00 -1.07 -1.20 119.26 120.91 1n55 h ALA 203 Ca 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1n55 h ALA 203 Cb 0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1n55 h ALA 203 CO -0.01 0.64 -0.32 0.00 0.00 0.00 0.00 179.25 179.57 1n55 h ALA 204 N 1.37 1.41 0.00 0.00 0.00 -1.11 -3.10 119.26 117.82 1n55 h ALA 204 Ca 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1n55 h ALA 204 Cb -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1n55 h ALA 204 CO -0.07 0.40 -0.98 1.63 0.00 0.00 0.00 179.25 180.23 1n55 n LYS 205 N -4.07 0.41 -2.24 0.00 4.76 -0.97 -4.38 118.16 111.67 1n55 n LYS 205 Ca -0.02 0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 1n55 n LYS 205 Cb 0.37 -1.68 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 1n55 n LYS 205 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1n55 s LEU 206 N -4.49 4.35 -0.12 -0.35 2.96 -0.49 -4.83 118.68 115.72 1n55 s LEU 206 Ca 0.02 2.20 -0.24 0.00 -0.22 0.00 0.00 54.13 55.89 1n55 s LEU 206 Cb 0.13 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1n55 s LEU 206 CO 0.78 -0.64 0.75 -0.13 -1.32 0.00 0.00 176.35 175.80 1n55 s ARG 207 N 1.50 4.36 -0.27 1.98 3.00 -1.26 -4.90 118.95 123.36 1n55 s ARG 207 Ca 0.63 0.92 0.01 0.00 0.00 0.00 0.00 55.73 57.29 1n55 s ARG 207 Cb -0.34 -3.51 0.06 0.00 0.00 0.00 0.00 34.95 31.16 1n55 s ARG 207 CO 0.29 -0.12 -0.07 0.42 0.00 0.00 0.00 175.30 175.82 1n55 s ILE 208 N 1.42 2.46 0.17 1.52 1.01 -1.26 -1.39 121.20 125.13 1n55 s ILE 208 Ca 0.37 -1.54 -0.03 0.00 0.00 0.00 0.00 60.65 59.45 1n55 s ILE 208 Cb -0.17 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1n55 s ILE 208 CO 0.16 -0.05 0.39 -0.76 0.00 0.00 0.00 174.94 174.67 1n55 s LEU 209 N 1.16 4.24 -0.06 2.97 1.43 0.64 -1.01 118.68 128.04 1n55 s LEU 209 Ca -0.08 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1n55 s LEU 209 Cb -0.20 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1n55 s LEU 209 CO -0.04 0.01 0.08 -0.47 0.23 0.00 0.00 176.35 176.16 1n55 s TYR 210 N -1.76 3.34 0.08 0.29 5.04 -0.34 -0.41 117.35 123.60 1n55 s TYR 210 Ca 0.40 0.30 -0.06 0.00 -2.44 0.00 0.00 57.07 55.27 1n55 s TYR 210 Cb -0.12 -1.81 -0.02 0.00 0.35 0.00 0.00 41.96 40.36 1n55 s TYR 210 CO 0.27 0.58 0.11 0.20 -1.34 0.00 0.00 175.55 175.36 1n55 s GLY 211 N -1.28 0.27 0.00 8.97 0.00 -0.38 -1.50 107.32 113.40 1n55 s GLY 211 Ca 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1n55 s GLY 211 CO 0.08 -1.02 0.00 0.61 0.00 0.00 0.00 173.10 172.77 1n55 n GLY 212 N -0.00 2.01 2.33 0.20 0.00 -1.26 -3.91 105.19 104.57 1n55 n GLY 212 Ca -0.14 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 1n55 n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n55 n SER 213 N 0.00 -4.72 -4.76 1.61 7.64 -0.87 -4.30 113.62 108.23 1n55 n SER 213 Ca 0.00 0.08 -0.41 0.00 1.01 0.00 0.00 58.87 59.55 1n55 n SER 213 Cb 0.00 -3.79 -0.02 0.00 -1.01 0.00 0.00 64.21 59.39 1n55 n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1n55 s VAL 214 N -2.73 2.64 0.32 0.44 1.01 -1.26 -4.65 120.40 116.17 1n55 s VAL 214 Ca 0.00 0.59 0.02 0.00 0.00 0.00 0.00 61.98 62.59 1n55 s VAL 214 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1n55 s VAL 214 CO 0.00 0.12 0.34 0.54 0.00 0.00 0.00 175.10 176.09 1n55 s ASN 215 N -0.01 1.17 0.45 3.32 2.20 -1.26 -4.51 114.94 116.30 1n55 s ASN 215 Ca 0.55 -1.59 0.16 0.00 -0.94 0.00 0.00 52.86 51.03 1n55 s ASN 215 Cb -0.41 0.58 1.02 0.00 -2.00 0.00 0.00 41.25 40.43 1n55 s ASN 215 CO 0.49 -1.12 1.98 0.00 -2.94 0.00 0.00 177.10 175.50 1n55 h ALA 216 N 2.19 1.60 0.00 3.54 0.00 -1.93 -2.21 119.26 122.44 1n55 h ALA 216 Ca -0.27 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1n55 h ALA 216 Cb 1.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1n55 h ALA 216 CO 0.39 0.25 -0.90 0.00 0.00 0.00 0.00 179.25 179.00 1n55 h ALA 217 N 1.80 0.66 -0.00 0.00 0.00 -1.96 -3.36 119.26 116.39 1n55 h ALA 217 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1n55 h ALA 217 Cb 0.37 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1n55 h ALA 217 CO 0.03 0.68 -0.95 0.27 0.00 0.00 0.00 179.25 179.28 1n55 n ASN 218 N -3.04 1.04 -0.09 0.00 0.23 -1.11 -4.63 115.26 107.66 1n55 n ASN 218 Ca -0.03 -1.02 -0.13 0.00 -0.53 0.00 0.00 54.58 52.87 1n55 n ASN 218 Cb 0.76 0.97 -0.04 0.00 -2.08 0.00 0.00 39.78 39.38 1n55 n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n55 h ALA 219 N 2.99 0.42 -0.73 -2.53 0.00 -1.55 -3.02 119.26 114.84 1n55 h ALA 219 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1n55 h ALA 219 Cb 0.51 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1n55 h ALA 219 CO 0.00 0.42 0.26 0.00 0.00 0.00 0.00 179.25 179.93 1n55 h ALA 220 N 0.71 0.95 0.00 0.00 0.00 -1.82 -0.48 119.26 118.61 1n55 h ALA 220 Ca 0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1n55 h ALA 220 Cb 0.83 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1n55 h ALA 220 CO 0.07 0.60 -0.47 1.15 0.00 0.00 0.00 179.25 180.60 1n55 h THR 221 N 1.06 1.24 -0.18 0.00 2.02 -1.87 -1.25 112.91 113.92 1n55 h THR 221 Ca 0.24 -1.66 -0.02 0.00 0.77 0.00 0.00 66.41 65.74 1n55 h THR 221 Cb 0.26 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1n55 h THR 221 CO -0.01 0.46 0.02 -0.07 0.37 0.00 0.00 175.52 176.28 1n55 h LEU 222 N 0.00 0.29 -1.95 2.58 3.38 -1.32 -3.19 115.31 115.10 1n55 h LEU 222 Ca -0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1n55 h LEU 222 Cb 0.88 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1n55 h LEU 222 CO 0.06 0.50 -0.10 0.22 0.09 0.00 0.00 178.44 179.21 1n55 h TYR 223 N 0.08 0.00 0.00 1.13 3.20 -0.68 -2.04 116.97 118.66 1n55 h TYR 223 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1n55 h TYR 223 Cb 0.33 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1n55 h TYR 223 CO 0.02 0.10 0.00 0.00 -1.64 0.00 0.00 178.16 176.65 1n55 h ALA 224 N 1.90 1.00 -2.69 1.82 0.00 -1.22 -3.44 119.26 116.63 1n55 h ALA 224 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1n55 h ALA 224 Cb 0.32 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.15 1n55 h ALA 224 CO 0.01 0.00 0.47 0.15 0.00 0.00 0.00 179.25 179.89 1n55 s LYS 225 N -3.72 4.24 0.54 0.00 -0.14 -0.77 -4.94 119.74 114.94 1n55 s LYS 225 Ca -0.00 1.75 0.33 0.00 -1.36 0.00 0.00 55.97 56.68 1n55 s LYS 225 Cb 0.10 -2.77 1.27 0.00 -1.68 0.00 0.00 37.83 34.75 1n55 s LYS 225 CO 0.44 -0.13 1.95 -1.00 -0.76 0.00 0.00 175.35 175.84 1n55 h PRO 226 N 2.90 0.00 -0.27 -1.68 0.13 -1.89 -2.95 132.00 128.24 1n55 h PRO 226 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1n55 h PRO 226 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1n55 h PRO 226 CO 0.64 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.16 1n55 n ASP 227 N -3.08 3.04 -4.55 1.44 9.92 -1.26 -4.93 116.55 117.13 1n55 n ASP 227 Ca 0.01 -2.30 -0.36 0.00 -0.53 0.00 0.00 54.79 51.61 1n55 n ASP 227 Cb 0.32 -0.29 -0.11 0.00 -0.64 0.00 0.00 41.12 40.40 1n55 n ASP 227 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1n55 s ILE 228 N -1.53 4.81 -0.21 0.53 1.01 -1.12 -4.67 121.20 120.02 1n55 s ILE 228 Ca 0.26 -0.01 0.17 0.00 0.00 0.00 0.00 60.65 61.06 1n55 s ILE 228 Cb 0.17 -3.24 0.48 0.00 0.01 0.00 0.00 42.46 39.88 1n55 s ILE 228 CO 0.12 0.34 1.37 0.59 0.00 0.00 0.00 174.94 177.36 1n55 n ASN 229 N 4.59 3.62 0.00 3.58 4.13 -0.18 -4.86 115.26 126.14 1n55 n ASN 229 Ca -0.15 -2.97 0.00 0.00 1.68 0.00 0.00 54.58 53.14 1n55 n ASN 229 Cb 0.52 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 1n55 n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n55 n GLY 230 N -0.58 0.75 3.05 7.41 0.00 -1.26 -1.73 105.19 112.83 1n55 n GLY 230 Ca 0.20 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 1n55 n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n55 s PHE 231 N -1.53 -0.00 -0.26 1.61 0.40 -0.40 -1.19 117.98 116.61 1n55 s PHE 231 Ca 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 56.93 56.28 1n55 s PHE 231 Cb 0.00 -0.03 -0.00 0.00 0.51 0.00 0.00 43.02 43.50 1n55 s PHE 231 CO 0.00 -0.18 0.02 -1.17 0.70 0.00 0.00 175.22 174.59 1n55 s LEU 232 N -0.80 3.38 -0.14 -0.37 2.96 -0.56 -0.85 118.68 122.29 1n55 s LEU 232 Ca -0.09 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.32 1n55 s LEU 232 Cb -0.05 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.83 1n55 s LEU 232 CO 0.01 -0.10 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.04 1n55 s VAL 233 N 1.50 2.18 0.00 1.68 1.01 0.42 -4.04 120.40 123.14 1n55 s VAL 233 Ca 0.04 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1n55 s VAL 233 Cb -0.16 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1n55 s VAL 233 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1n55 n GLY 234 N 4.03 0.25 0.31 4.51 0.00 -1.26 -0.33 105.19 112.70 1n55 n GLY 234 Ca -0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.86 1n55 n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n55 h GLY 235 N 0.00 1.34 2.00 -0.02 0.00 -1.91 -0.28 103.07 104.21 1n55 h GLY 235 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1n55 h GLY 235 CO 0.00 0.10 0.00 0.00 0.00 0.00 0.00 176.54 176.64 1n55 n ALA 236 N -2.38 1.77 1.18 3.60 0.00 -1.26 -2.55 120.51 120.87 1n55 n ALA 236 Ca 0.15 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.80 1n55 n ALA 236 Cb 0.31 -1.41 0.64 0.00 0.00 0.00 0.00 19.45 19.00 1n55 n ALA 236 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n55 n SER 237 N -2.26 0.09 -0.42 0.00 3.41 -0.11 -2.45 113.62 111.86 1n55 n SER 237 Ca 0.03 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.86 1n55 n SER 237 Cb 0.27 -0.33 0.45 0.00 -0.26 0.00 0.00 64.21 64.33 1n55 n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n55 n LEU 238 N -1.37 1.28 -4.38 1.04 4.77 -1.06 -4.87 117.00 112.42 1n55 n LEU 238 Ca 0.10 -0.52 -0.19 0.00 -0.03 0.00 0.00 56.01 55.37 1n55 n LEU 238 Cb 0.30 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 1n55 n LEU 238 CO 0.26 0.26 -0.40 -0.54 -1.33 0.00 0.00 177.39 175.64 1n55 s LYS 239 N -1.86 1.41 0.61 3.23 1.02 -1.03 -5.03 119.74 118.10 1n55 s LYS 239 Ca 0.33 -1.67 0.36 0.00 0.02 0.00 0.00 55.97 55.01 1n55 s LYS 239 Cb 0.17 -1.10 2.02 0.00 -0.52 0.00 0.00 37.83 38.41 1n55 s LYS 239 CO 0.27 0.11 2.28 -1.35 -0.92 0.00 0.00 175.35 175.73 1n55 h PRO 240 N 2.45 0.00 0.00 -1.68 0.11 -1.92 -2.08 132.00 128.87 1n55 h PRO 240 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1n55 h PRO 240 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1n55 h PRO 240 CO 0.64 0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.59 1n55 n GLU 241 N -3.48 0.01 0.07 1.05 0.28 -1.26 -1.76 120.64 115.54 1n55 n GLU 241 Ca -0.03 0.37 0.13 0.00 -0.16 0.00 0.00 57.16 57.47 1n55 n GLU 241 Cb 0.10 -1.52 0.61 0.00 1.43 0.00 0.00 31.44 32.07 1n55 n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1n55 h PHE 242 N 0.00 0.13 -0.65 -1.84 3.57 -1.42 -0.43 116.94 116.30 1n55 h PHE 242 Ca 0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1n55 h PHE 242 Cb 0.14 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 1n55 h PHE 242 CO 0.00 0.07 0.34 0.00 -2.23 0.00 0.00 178.31 176.49 1n55 h ARG 243 N 0.13 0.61 -0.10 1.11 3.08 -1.60 -0.87 114.38 116.74 1n55 h ARG 243 Ca 0.16 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 1n55 h ARG 243 Cb 0.47 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1n55 h ARG 243 CO -0.02 0.40 -0.43 -0.44 -1.07 0.00 0.00 179.97 178.41 1n55 h ASP 244 N 0.63 0.23 -0.50 7.04 3.32 -1.29 -1.50 116.42 124.35 1n55 h ASP 244 Ca 0.30 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1n55 h ASP 244 Cb 0.23 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1n55 h ASP 244 CO -0.20 0.64 -0.02 0.40 -1.72 0.00 0.00 179.24 178.33 1n55 h ILE 245 N 0.18 1.27 -0.38 0.35 2.04 -0.78 -0.22 117.51 119.97 1n55 h ILE 245 Ca 0.01 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.80 1n55 h ILE 245 Cb 0.84 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1n55 h ILE 245 CO 0.07 0.39 0.14 0.40 0.00 0.00 0.00 178.15 179.15 1n55 h ILE 246 N 0.76 0.90 0.00 -0.67 2.04 -0.97 -2.14 117.51 117.43 1n55 h ILE 246 Ca 0.14 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1n55 h ILE 246 Cb 0.55 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1n55 h ILE 246 CO 0.03 0.06 -0.01 0.44 0.00 0.00 0.00 178.15 178.66 1n55 h ASP 247 N 0.30 0.00 0.45 1.72 3.32 -0.92 -1.75 116.42 119.54 1n55 h ASP 247 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1n55 h ASP 247 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1n55 h ASP 247 CO -0.17 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.36 1n55 n ALA 248 N -2.10 1.86 0.53 3.45 0.00 -0.13 -2.17 120.51 121.95 1n55 n ALA 248 Ca -0.00 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1n55 n ALA 248 Cb 0.26 -1.28 0.24 0.00 0.00 0.00 0.00 19.45 18.67 1n55 n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n55 n THR 249 N -1.39 0.58 1.28 0.00 -2.24 -0.66 -4.55 114.28 107.30 1n55 n THR 249 Ca 0.06 -0.63 0.10 0.00 -2.27 0.00 0.00 64.05 61.32 1n55 n THR 249 Cb 0.17 0.40 0.61 0.00 -2.10 0.00 0.00 70.33 69.40 1n55 n THR 249 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04