#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x51 n SER 2 N 0.00 -4.52 -2.45 1.61 2.88 -1.26 -4.87 113.62 105.01 1x51 n SER 2 Ca 0.00 -0.75 -0.36 0.00 -1.33 0.00 0.00 58.87 56.43 1x51 n SER 2 Cb 0.00 -4.06 0.07 0.00 -0.75 0.00 0.00 64.21 59.47 1x51 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x51 n SER 3 N -2.89 7.66 0.00 -3.46 3.41 -1.26 -4.68 113.62 112.40 1x51 n SER 3 Ca -0.01 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.81 1x51 n SER 3 Cb 0.55 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1x51 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x51 n GLY 4 N -0.82 0.94 3.71 5.00 0.00 -1.26 -4.57 105.19 108.19 1x51 n GLY 4 Ca 0.61 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.39 1x51 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x51 n SER 5 N 0.00 -3.56 -0.05 1.61 7.64 -1.26 -4.90 113.62 113.10 1x51 n SER 5 Ca 0.00 -0.72 -0.08 0.00 1.01 0.00 0.00 58.87 59.08 1x51 n SER 5 Cb 0.00 -4.37 -0.05 0.00 -1.01 0.00 0.00 64.21 58.79 1x51 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x51 n SER 6 N -2.99 2.89 0.00 6.43 2.88 -1.26 -5.11 113.62 116.46 1x51 n SER 6 Ca -0.12 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1x51 n SER 6 Cb 0.60 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1x51 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x51 n GLY 7 N 2.90 -1.74 0.00 0.46 0.00 -1.26 -3.83 105.19 101.72 1x51 n GLY 7 Ca -0.20 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 44.52 1x51 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x51 n PRO 8 N 0.00 0.49 -0.30 1.61 -0.04 -1.26 -4.07 135.00 131.42 1x51 n PRO 8 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1x51 n PRO 8 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1x51 n PRO 8 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x51 n ARG 9 N -1.01 -0.26 -3.71 0.54 1.74 -1.25 -4.15 116.66 108.56 1x51 n ARG 9 Ca 0.12 1.13 -0.21 0.00 -0.77 0.00 0.00 57.85 58.11 1x51 n ARG 9 Cb 0.06 -1.67 -0.18 0.00 -1.02 0.00 0.00 32.46 29.65 1x51 n ARG 9 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1x51 s LYS 10 N -5.51 0.18 -0.63 5.56 2.36 -1.26 -4.99 119.74 115.45 1x51 s LYS 10 Ca -0.09 0.27 -0.26 0.00 -2.55 0.00 0.00 55.97 53.33 1x51 s LYS 10 Cb 0.11 -0.71 -0.03 0.00 -1.05 0.00 0.00 37.83 36.15 1x51 s LYS 10 CO 0.49 -0.33 1.97 0.00 1.55 0.00 0.00 175.35 179.03 1x51 s ALA 11 N 2.10 1.99 -0.22 3.13 0.00 -1.26 -4.75 121.76 122.75 1x51 s ALA 11 Ca 0.05 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1x51 s ALA 11 Cb -0.12 -4.35 -0.20 0.00 0.00 0.00 0.00 23.12 18.45 1x51 s ALA 11 CO -0.04 -4.14 -0.05 0.45 0.00 0.00 0.00 175.76 171.98 1x51 n SER 12 N 13.51 1.67 -0.01 0.00 2.88 -1.26 -4.83 113.62 125.58 1x51 n SER 12 Ca 0.26 -0.04 -0.05 0.00 -1.33 0.00 0.00 58.87 57.71 1x51 n SER 12 Cb 0.52 -0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 63.70 1x51 n SER 12 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x51 n ARG 13 N -3.21 0.20 -4.78 -1.46 3.00 -1.26 -5.06 116.66 104.08 1x51 n ARG 13 Ca -0.41 0.08 -0.30 0.00 -0.01 0.00 0.00 57.85 57.21 1x51 n ARG 13 Cb 1.03 -0.85 -0.14 0.00 0.00 0.00 0.00 32.46 32.50 1x51 n ARG 13 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1x51 s LYS 14 N -2.31 1.85 1.00 5.56 -0.14 -1.26 -5.13 119.74 119.32 1x51 s LYS 14 Ca -0.11 -1.09 -0.12 0.00 -1.36 0.00 0.00 55.97 53.28 1x51 s LYS 14 Cb 0.02 -2.04 0.19 0.00 -1.68 0.00 0.00 37.83 34.32 1x51 s LYS 14 CO 0.16 0.52 1.09 -1.25 -0.76 0.00 0.00 175.35 175.11 1x51 s PRO 15 N -1.37 0.39 0.44 -1.68 0.04 -1.26 -4.64 135.00 126.91 1x51 s PRO 15 Ca 0.13 0.51 0.23 0.00 0.04 0.00 0.00 61.00 61.91 1x51 s PRO 15 Cb -0.10 -1.73 0.97 0.00 0.04 0.00 0.00 34.50 33.68 1x51 s PRO 15 CO 0.03 -2.76 1.86 -1.00 0.04 0.00 0.00 177.00 175.17 1x51 h PRO 16 N -1.91 0.00 -0.75 0.56 0.13 -1.95 -3.27 132.00 124.80 1x51 h PRO 16 Ca -0.55 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.77 1x51 h PRO 16 Cb 1.33 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.32 1x51 h PRO 16 CO 0.57 0.25 -0.05 0.54 -0.23 0.00 0.00 178.00 179.08 1x51 n ARG 17 N -3.53 -0.06 -3.34 0.86 1.74 -1.26 -3.05 116.66 108.01 1x51 n ARG 17 Ca -0.01 1.14 -0.45 0.00 -0.77 0.00 0.00 57.85 57.77 1x51 n ARG 17 Cb 0.40 -1.78 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 1x51 n ARG 17 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1x51 s GLU 18 N -5.77 2.92 -0.13 5.56 -1.05 -1.24 -2.32 118.70 116.68 1x51 s GLU 18 Ca -0.10 -1.70 -0.03 0.00 -0.15 0.00 0.00 54.97 52.98 1x51 s GLU 18 Cb 0.22 -4.24 0.05 0.00 -0.44 0.00 0.00 34.13 29.71 1x51 s GLU 18 CO 0.59 -1.30 0.06 -1.21 0.95 0.00 0.00 175.26 174.35 1x51 s GLU 19 N 1.57 0.21 -0.04 -4.83 2.02 -1.17 -4.90 118.70 111.56 1x51 s GLU 19 Ca 0.03 -0.02 0.06 0.00 0.02 0.00 0.00 54.97 55.06 1x51 s GLU 19 Cb -0.29 -1.48 -0.02 0.00 0.10 0.00 0.00 34.13 32.43 1x51 s GLU 19 CO 0.03 -0.54 -0.20 -1.12 0.02 0.00 0.00 175.26 173.44 1x51 s SER 20 N 2.07 3.53 0.00 -0.19 0.01 -1.26 -1.57 113.70 116.30 1x51 s SER 20 Ca 0.02 -0.34 -0.22 0.00 1.31 0.00 0.00 55.95 56.73 1x51 s SER 20 Cb -0.15 -0.64 0.05 0.00 0.21 0.00 0.00 66.02 65.49 1x51 s SER 20 CO -0.07 0.32 0.48 -0.44 0.41 0.00 0.00 173.24 173.95 1x51 s SER 21 N -0.61 -0.40 -0.24 2.44 0.01 -0.20 -3.11 113.70 111.59 1x51 s SER 21 Ca 0.09 0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.64 1x51 s SER 21 Cb -0.11 0.44 0.05 0.00 0.21 0.00 0.00 66.02 66.61 1x51 s SER 21 CO 0.00 -0.60 -0.12 0.00 0.41 0.00 0.00 173.24 172.93 1x51 s ALA 22 N -1.79 2.53 0.01 1.44 0.00 -1.09 -1.59 121.76 121.28 1x51 s ALA 22 Ca -0.09 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.22 1x51 s ALA 22 Cb -0.02 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1x51 s ALA 22 CO 0.03 -1.02 0.09 -0.08 0.00 0.00 0.00 175.76 174.79 1x51 s THR 23 N 1.15 4.75 0.25 0.00 -1.32 -0.86 -1.95 115.64 117.66 1x51 s THR 23 Ca -0.06 -0.47 0.10 0.00 -1.21 0.00 0.00 61.69 60.06 1x51 s THR 23 Cb -0.18 -3.20 -0.05 0.00 -1.51 0.00 0.00 72.50 67.55 1x51 s THR 23 CO -0.07 0.30 -0.17 0.00 -2.21 0.00 0.00 174.62 172.47 1x51 s VAL 25 N -2.73 2.99 -0.22 0.00 1.01 0.23 -4.35 120.40 117.34 1x51 s VAL 25 Ca 0.27 -1.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.16 1x51 s VAL 25 Cb -0.03 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1x51 s VAL 25 CO 0.11 -0.47 0.63 -0.22 0.00 0.00 0.00 175.10 175.16 1x51 s LEU 26 N 1.14 4.11 0.14 3.92 2.96 -1.25 -1.63 118.68 128.07 1x51 s LEU 26 Ca 0.04 0.79 0.09 0.00 -0.22 0.00 0.00 54.13 54.83 1x51 s LEU 26 Cb -0.21 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 1x51 s LEU 26 CO -0.04 -0.32 -0.20 -0.70 -1.32 0.00 0.00 176.35 173.77 1x51 s GLU 27 N 2.17 1.25 -0.07 1.98 2.12 -0.92 -1.14 118.70 124.09 1x51 s GLU 27 Ca 0.28 -1.32 -0.14 0.00 0.36 0.00 0.00 54.97 54.15 1x51 s GLU 27 Cb -0.16 -1.43 0.03 0.00 0.26 0.00 0.00 34.13 32.83 1x51 s GLU 27 CO 0.09 0.31 0.33 -0.65 -0.54 0.00 0.00 175.26 174.81 1x51 s GLN 28 N -2.41 0.56 0.13 4.30 -0.21 0.22 -2.42 119.66 119.83 1x51 s GLN 28 Ca 0.13 0.11 -0.31 0.00 0.02 0.00 0.00 55.36 55.31 1x51 s GLN 28 Cb -0.08 0.26 -0.08 0.00 1.00 0.00 0.00 33.01 34.11 1x51 s GLN 28 CO 0.06 -0.13 1.35 -1.25 -2.12 0.00 0.00 175.29 173.20 1x51 s PRO 29 N -0.67 4.35 0.00 2.91 0.04 -1.26 0.01 135.00 140.38 1x51 s PRO 29 Ca -0.08 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1x51 s PRO 29 Cb -0.04 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1x51 s PRO 29 CO 0.03 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1x51 n GLY 30 N 3.12 4.50 0.11 0.56 0.00 -1.10 -4.88 105.19 107.50 1x51 n GLY 30 Ca 0.10 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 1x51 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x51 h ALA 31 N 1.00 0.22 -0.31 4.61 0.00 -1.95 -3.13 119.26 119.70 1x51 h ALA 31 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1x51 h ALA 31 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1x51 h ALA 31 CO 0.00 -0.18 -0.22 -0.07 0.00 0.00 0.00 179.25 178.78 1x51 h LEU 32 N 0.11 0.73 0.00 0.00 3.38 -2.01 -3.47 115.31 114.05 1x51 h LEU 32 Ca 0.06 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1x51 h LEU 32 Cb 0.19 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1x51 h LEU 32 CO -0.00 1.01 0.00 0.61 0.09 0.00 0.00 178.44 180.15 1x51 n GLY 33 N 0.06 -0.48 3.74 0.83 0.00 -1.18 -5.16 105.19 103.00 1x51 n GLY 33 Ca -0.03 0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 1x51 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x51 s ALA 34 N 0.00 -0.95 -0.28 4.61 0.00 -1.26 -2.72 121.76 121.15 1x51 s ALA 34 Ca 0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 51.38 1x51 s ALA 34 Cb 0.00 0.91 0.10 0.00 0.00 0.00 0.00 23.12 24.13 1x51 s ALA 34 CO 0.00 -0.96 0.76 -1.14 0.00 0.00 0.00 175.76 174.42 1x51 s GLN 35 N -3.93 0.62 0.56 0.00 0.74 0.10 -4.63 119.66 113.13 1x51 s GLN 35 Ca 0.13 1.10 0.05 0.00 0.05 0.00 0.00 55.36 56.69 1x51 s GLN 35 Cb -0.04 0.15 0.06 0.00 1.10 0.00 0.00 33.01 34.28 1x51 s GLN 35 CO 0.06 -0.13 0.78 0.96 -0.55 0.00 0.00 175.29 176.40 1x51 s ILE 36 N 1.61 2.48 0.02 -2.34 -4.36 0.12 -0.61 121.20 118.11 1x51 s ILE 36 Ca -0.10 -0.83 0.02 0.00 -0.26 0.00 0.00 60.65 59.49 1x51 s ILE 36 Cb -0.05 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 1x51 s ILE 36 CO -0.19 0.00 -0.01 -0.22 0.24 0.00 0.00 174.94 174.76 1x51 s LEU 37 N -4.72 3.43 -0.07 0.37 2.96 -0.29 -1.76 118.68 118.61 1x51 s LEU 37 Ca 0.60 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.42 1x51 s LEU 37 Cb -0.08 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.64 1x51 s LEU 37 CO 0.39 0.26 0.14 -0.22 -1.32 0.00 0.00 176.35 175.59 1x51 s LEU 38 N -1.67 0.54 0.24 -0.68 2.96 0.16 -4.67 118.68 115.55 1x51 s LEU 38 Ca 0.20 0.28 0.06 0.00 -0.22 0.00 0.00 54.13 54.46 1x51 s LEU 38 Cb -0.11 0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.83 1x51 s LEU 38 CO 0.11 -0.17 0.22 0.68 -1.32 0.00 0.00 176.35 175.87 1x51 s VAL 39 N 1.47 4.62 0.17 1.68 -7.23 0.21 -0.16 120.40 121.16 1x51 s VAL 39 Ca -0.06 -1.29 0.04 0.00 -1.81 0.00 0.00 61.98 58.87 1x51 s VAL 39 Cb -0.12 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 1x51 s VAL 39 CO -0.06 -0.32 0.23 -1.58 -0.31 0.00 0.00 175.10 173.06 1x51 s GLN 40 N -3.80 3.20 0.23 4.82 0.74 -0.54 -0.20 119.66 124.11 1x51 s GLN 40 Ca 0.33 -0.75 -0.11 0.00 0.05 0.00 0.00 55.36 54.88 1x51 s GLN 40 Cb -0.08 -2.81 -0.07 0.00 1.10 0.00 0.00 33.01 31.14 1x51 s GLN 40 CO 0.26 0.49 0.57 1.03 -0.55 0.00 0.00 175.29 177.08 1x51 s ARG 41 N -3.30 3.85 0.35 1.67 0.52 -0.27 -4.95 118.95 116.82 1x51 s ARG 41 Ca 0.33 0.35 -0.06 0.00 -0.52 0.00 0.00 55.73 55.83 1x51 s ARG 41 Cb -0.10 -2.66 0.09 0.00 0.52 0.00 0.00 34.95 32.79 1x51 s ARG 41 CO 0.26 0.32 0.31 -0.35 0.02 0.00 0.00 175.30 175.86 1x51 n PRO 42 N -0.03 -1.62 -2.22 3.54 -0.04 -1.26 -3.93 135.00 129.44 1x51 n PRO 42 Ca -0.00 -0.49 -0.32 0.00 -0.04 0.00 0.00 63.50 62.65 1x51 n PRO 42 Cb 0.52 -0.46 -0.04 0.00 -0.04 0.00 0.00 33.50 33.48 1x51 n PRO 42 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1x51 s ASN 43 N -2.34 5.59 0.52 3.54 0.02 -1.26 -4.20 114.94 116.81 1x51 s ASN 43 Ca 0.20 -1.09 0.06 0.00 -1.02 0.00 0.00 52.86 51.00 1x51 s ASN 43 Cb -0.02 -2.57 0.06 0.00 0.02 0.00 0.00 41.25 38.74 1x51 s ASN 43 CO 0.15 -2.37 0.48 -1.54 0.02 0.00 0.00 177.10 173.85 1x51 n SER 44 N 12.35 2.46 -0.10 -1.22 3.41 -1.26 -5.07 113.62 124.19 1x51 n SER 44 Ca 0.39 -2.68 -0.14 0.00 -0.26 0.00 0.00 58.87 56.19 1x51 n SER 44 Cb 0.48 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 1x51 n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x51 n GLY 45 N -1.31 -0.31 0.01 5.00 0.00 -1.26 -4.42 105.19 102.90 1x51 n GLY 45 Ca 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 1x51 n GLY 45 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x51 h LEU 46 N 0.00 -0.01 -7.24 0.99 3.38 -1.98 -3.42 115.31 107.03 1x51 h LEU 46 Ca -0.46 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.89 1x51 h LEU 46 Cb 1.72 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.07 1x51 h LEU 46 CO -0.07 -0.00 -0.68 -0.76 0.09 0.00 0.00 178.44 177.02 1x51 s LEU 47 N -4.15 3.63 -0.10 1.67 1.02 -1.26 -5.10 118.68 114.39 1x51 s LEU 47 Ca -0.00 -2.77 -0.04 0.00 0.02 0.00 0.00 54.13 51.34 1x51 s LEU 47 Cb 0.00 -1.38 -0.04 0.00 0.02 0.00 0.00 46.19 44.80 1x51 s LEU 47 CO 0.01 -0.26 0.07 0.00 0.02 0.00 0.00 176.35 176.18 1x51 s ALA 48 N 0.09 3.56 -0.28 4.21 0.00 -1.26 -4.44 121.76 123.64 1x51 s ALA 48 Ca 0.17 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 1x51 s ALA 48 Cb -0.25 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1x51 s ALA 48 CO -0.01 0.60 0.01 0.41 0.00 0.00 0.00 175.76 176.77 1x51 n GLY 49 N 2.09 0.26 3.75 0.00 0.00 -1.25 -4.99 105.19 105.05 1x51 n GLY 49 Ca -0.19 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 1x51 n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x51 s LEU 50 N -1.01 3.76 -0.22 0.99 2.01 -1.26 -4.91 118.68 118.05 1x51 s LEU 50 Ca 0.01 0.08 -0.08 0.00 0.01 0.00 0.00 54.13 54.15 1x51 s LEU 50 Cb -0.00 -2.19 -0.04 0.00 0.01 0.00 0.00 46.19 43.97 1x51 s LEU 50 CO 0.01 0.27 0.09 0.26 1.01 0.00 0.00 176.35 177.99 1x51 s TRP 51 N -1.17 3.22 0.19 0.29 0.52 -0.10 -1.11 118.94 120.78 1x51 s TRP 51 Ca 0.22 -0.01 -0.14 0.00 0.02 0.00 0.00 56.10 56.19 1x51 s TRP 51 Cb -0.12 -2.17 0.01 0.00 -1.15 0.00 0.00 33.47 30.04 1x51 s TRP 51 CO 0.13 -0.01 0.43 -1.83 0.02 0.00 0.00 176.95 175.69 1x51 s GLU 52 N 0.90 1.31 0.52 4.98 1.03 0.72 -3.90 118.70 124.25 1x51 s GLU 52 Ca 0.05 -1.03 -0.22 0.00 0.03 0.00 0.00 54.97 53.80 1x51 s GLU 52 Cb -0.14 0.46 -0.06 0.00 -0.80 0.00 0.00 34.13 33.60 1x51 s GLU 52 CO 0.03 -0.53 1.26 -0.06 -1.33 0.00 0.00 175.26 174.63 1x51 s PHE 53 N -3.92 2.54 0.39 4.83 0.08 -1.26 -0.62 117.98 120.01 1x51 s PHE 53 Ca 0.14 1.46 -0.26 0.00 0.12 0.00 0.00 56.93 58.38 1x51 s PHE 53 Cb 0.01 -3.59 -0.09 0.00 -0.57 0.00 0.00 43.02 38.78 1x51 s PHE 53 CO -0.00 -2.25 1.20 -1.25 -0.10 0.00 0.00 175.22 172.81 1x51 s PRO 54 N -2.87 4.11 0.28 0.24 0.04 -1.26 -4.81 135.00 130.73 1x51 s PRO 54 Ca 0.69 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 63.62 1x51 s PRO 54 Cb -0.34 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 1x51 s PRO 54 CO 0.41 -0.29 0.35 -1.54 0.04 0.00 0.00 177.00 175.96 1x51 s SER 55 N -1.00 0.59 0.25 6.66 1.04 -1.26 -2.44 113.70 117.54 1x51 s SER 55 Ca 0.55 -1.38 0.03 0.00 0.48 0.00 0.00 55.95 55.64 1x51 s SER 55 Cb -0.33 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 1x51 s SER 55 CO 0.41 -1.10 0.12 1.33 0.98 0.00 0.00 173.24 174.99 1x51 n VAL 56 N -0.45 0.00 -2.24 5.02 0.24 -0.82 -4.97 118.33 115.11 1x51 n VAL 56 Ca 0.02 -1.58 -0.42 0.00 -2.04 0.00 0.00 64.34 60.31 1x51 n VAL 56 Cb 0.63 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 1x51 n VAL 56 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1x51 s THR 57 N -2.66 3.73 0.93 3.34 -4.23 -1.26 -2.66 115.64 112.83 1x51 s THR 57 Ca 0.18 1.12 -0.16 0.00 -1.18 0.00 0.00 61.69 61.65 1x51 s THR 57 Cb 0.01 -3.72 -0.09 0.00 1.34 0.00 0.00 72.50 70.04 1x51 s THR 57 CO 0.12 0.00 -0.33 1.87 -0.54 0.00 0.00 174.62 175.74 1x51 n TRP 58 N 5.29 -3.73 -3.90 3.99 -0.00 -1.18 -4.76 117.44 113.15 1x51 n TRP 58 Ca 0.13 0.10 -0.15 0.00 -0.00 0.00 0.00 57.50 57.58 1x51 n TRP 58 Cb 0.44 -1.58 -0.15 0.00 -0.00 0.00 0.00 31.31 30.02 1x51 n TRP 58 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1x51 s GLU 59 N -2.40 0.13 0.54 5.87 0.41 -1.26 -4.99 118.70 117.00 1x51 s GLU 59 Ca 0.48 0.05 0.33 0.00 -0.41 0.00 0.00 54.97 55.41 1x51 s GLU 59 Cb -0.23 -0.26 1.36 0.00 -1.78 0.00 0.00 34.13 33.23 1x51 s GLU 59 CO 0.76 -0.07 1.98 -1.00 -0.49 0.00 0.00 175.26 176.44 1x51 h PRO 60 N 6.76 0.00 -6.39 0.39 0.13 -1.98 -3.44 132.00 127.46 1x51 h PRO 60 Ca -0.36 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.31 1x51 h PRO 60 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1x51 h PRO 60 CO 0.49 0.03 -0.29 0.45 -0.23 0.00 0.00 178.00 178.45 1x51 s SER 61 N -5.74 6.20 0.18 1.44 0.15 -1.26 -5.02 113.70 109.65 1x51 s SER 61 Ca 0.01 0.20 0.10 0.00 0.70 0.00 0.00 55.95 56.95 1x51 s SER 61 Cb 0.09 -1.78 -0.09 0.00 -1.71 0.00 0.00 66.02 62.53 1x51 s SER 61 CO 0.55 -0.29 1.35 -0.08 1.20 0.00 0.00 173.24 175.97 1x51 h GLU 62 N 0.88 0.00 0.00 5.44 4.81 -2.02 -3.28 114.58 120.41 1x51 h GLU 62 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1x51 h GLU 62 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1x51 h GLU 62 CO 0.59 0.83 -0.26 0.37 -0.73 0.00 0.00 179.01 179.82 1x51 h GLN 63 N 0.00 0.00 -0.88 1.92 5.75 -1.96 -3.35 115.11 116.59 1x51 h GLN 63 Ca -0.01 0.00 0.33 0.00 -0.15 0.00 0.00 58.65 58.82 1x51 h GLN 63 Cb 1.61 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 30.00 1x51 h GLN 63 CO 0.11 0.00 0.35 1.28 -2.65 0.00 0.00 178.83 177.91 1x51 n LEU 64 N -4.53 0.19 -0.01 -2.39 4.32 -1.26 0.11 117.00 113.43 1x51 n LEU 64 Ca -0.04 1.46 -0.09 0.00 -0.02 0.00 0.00 56.01 57.33 1x51 n LEU 64 Cb 0.13 -0.66 -0.03 0.00 -1.62 0.00 0.00 43.42 41.24 1x51 n LEU 64 CO 0.05 -1.59 0.78 -0.61 -1.22 0.00 0.00 177.39 174.80 1x51 h GLN 65 N 0.00 -0.14 -0.17 3.23 5.75 -1.72 -0.39 115.11 121.68 1x51 h GLN 65 Ca 0.68 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 59.14 1x51 h GLN 65 Cb 1.72 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 30.30 1x51 h GLN 65 CO -0.72 -0.09 -0.10 0.00 -2.65 0.00 0.00 178.83 175.27 1x51 h ARG 66 N -0.14 0.37 0.01 1.69 3.08 0.60 0.79 114.38 120.78 1x51 h ARG 66 Ca 0.10 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1x51 h ARG 66 Cb 0.28 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1x51 h ARG 66 CO -0.23 0.69 -0.40 0.87 -1.07 0.00 0.00 179.97 179.83 1x51 h LYS 67 N 0.04 -0.49 -0.49 0.04 1.57 -0.72 -1.72 116.57 114.81 1x51 h LYS 67 Ca 0.04 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1x51 h LYS 67 Cb 0.59 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1x51 h LYS 67 CO 0.03 -0.32 0.13 0.00 -0.57 0.00 0.00 179.45 178.71 1x51 h ALA 68 N -0.72 0.64 -0.88 3.86 0.00 -1.15 -2.50 119.26 118.50 1x51 h ALA 68 Ca 0.01 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 54.92 1x51 h ALA 68 Cb 0.54 -0.19 -0.16 0.00 0.00 0.00 0.00 17.79 17.98 1x51 h ALA 68 CO -0.26 0.32 -0.08 1.25 0.00 0.00 0.00 179.25 180.49 1x51 h LEU 69 N 0.66 -0.58 -0.07 0.00 5.85 -0.47 0.35 115.31 121.05 1x51 h LEU 69 Ca 0.15 0.25 -0.06 0.00 0.84 0.00 0.00 57.88 59.06 1x51 h LEU 69 Cb 0.32 0.47 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1x51 h LEU 69 CO 0.00 -0.28 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.55 1x51 h LEU 70 N 0.03 0.31 -1.19 2.25 3.38 -1.20 -3.08 115.31 115.81 1x51 h LEU 70 Ca 0.48 -0.60 0.41 0.00 0.09 0.00 0.00 57.88 58.26 1x51 h LEU 70 Cb 0.85 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.40 1x51 h LEU 70 CO -0.85 0.85 0.77 0.00 0.09 0.00 0.00 178.44 179.30 1x51 n GLN 71 N -4.54 -0.03 -0.07 1.13 6.02 0.08 0.16 117.38 120.14 1x51 n GLN 71 Ca -0.08 1.07 -0.10 0.00 -0.01 0.00 0.00 57.00 57.88 1x51 n GLN 71 Cb 0.42 -2.12 -0.08 0.00 1.02 0.00 0.00 30.24 29.48 1x51 n GLN 71 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1x51 h GLU 72 N 0.00 0.00 -0.91 -1.09 4.57 -1.46 -3.33 114.58 112.36 1x51 h GLU 72 Ca 0.76 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 59.14 1x51 h GLU 72 Cb 2.45 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 30.87 1x51 h GLU 72 CO -0.39 0.62 -0.14 -0.07 -1.18 0.00 0.00 179.01 177.84 1x51 h LEU 73 N -1.00 -0.71 -1.08 1.64 3.38 -0.19 0.90 115.31 118.25 1x51 h LEU 73 Ca -0.04 0.27 0.15 0.00 0.09 0.00 0.00 57.88 58.34 1x51 h LEU 73 Cb 0.69 0.52 -0.09 0.00 0.09 0.00 0.00 40.66 41.88 1x51 h LEU 73 CO -0.03 -0.30 0.62 1.56 0.09 0.00 0.00 178.44 180.38 1x51 h GLN 74 N 0.01 0.82 -0.42 1.13 4.20 -1.36 0.18 115.11 119.66 1x51 h GLN 74 Ca 0.47 -0.05 0.12 0.00 0.06 0.00 0.00 58.65 59.26 1x51 h GLN 74 Cb 0.80 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1x51 h GLN 74 CO -0.90 0.54 0.32 0.00 -0.67 0.00 0.00 178.83 178.11 1x51 h ARG 75 N 0.84 0.00 0.00 1.46 2.47 0.73 -1.94 114.38 117.95 1x51 h ARG 75 Ca 0.51 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.23 1x51 h ARG 75 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1x51 h ARG 75 CO -0.29 0.00 0.00 0.91 0.56 0.00 0.00 179.97 181.15 1x51 n TRP 76 N -4.33 0.00 0.00 3.04 7.02 0.52 -4.72 117.44 118.97 1x51 n TRP 76 Ca 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.55 1x51 n TRP 76 Cb 0.51 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.16 1x51 n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1x51 n ALA 77 N -2.21 -0.02 0.00 6.99 0.00 -0.59 -3.59 120.51 121.10 1x51 n ALA 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x51 n ALA 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1x51 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x51 n GLY 78 N 1.98 -0.17 3.59 0.00 0.00 -0.73 -4.46 105.19 105.40 1x51 n GLY 78 Ca 0.00 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1x51 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x51 s PRO 79 N 0.00 3.28 -0.06 1.61 0.04 -1.26 -4.17 135.00 134.45 1x51 s PRO 79 Ca 0.00 1.19 0.06 0.00 0.04 0.00 0.00 61.00 62.29 1x51 s PRO 79 Cb 0.00 -4.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.34 1x51 s PRO 79 CO 0.00 -1.92 -0.24 -0.51 0.04 0.00 0.00 177.00 174.36 1x51 s LEU 80 N 6.89 2.05 0.00 -3.56 2.01 -1.26 -5.02 118.68 119.79 1x51 s LEU 80 Ca 0.74 -0.50 -0.12 0.00 0.01 0.00 0.00 54.13 54.26 1x51 s LEU 80 Cb -0.19 -1.34 0.18 0.00 0.01 0.00 0.00 46.19 44.85 1x51 s LEU 80 CO 0.31 0.24 0.63 -0.81 1.01 0.00 0.00 176.35 177.73 1x51 n PRO 81 N 2.97 -2.24 0.00 1.29 -0.04 -1.26 -5.07 135.00 130.65 1x51 n PRO 81 Ca -0.17 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1x51 n PRO 81 Cb 0.52 -0.94 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 1x51 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x51 n ALA 82 N -4.08 2.63 -0.32 0.55 0.00 -1.26 -4.79 120.51 113.24 1x51 n ALA 82 Ca -0.12 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.49 1x51 n ALA 82 Cb 0.34 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.21 1x51 n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x51 h THR 83 N 0.00 0.63 -0.74 0.00 1.03 -2.04 0.09 112.91 111.88 1x51 h THR 83 Ca 0.00 -0.20 0.14 0.00 -0.01 0.00 0.00 66.41 66.34 1x51 h THR 83 Cb 0.00 0.00 -0.10 0.00 -1.07 0.00 0.00 68.15 66.99 1x51 h THR 83 CO 0.00 0.10 0.27 0.45 -0.01 0.00 0.00 175.52 176.34 1x51 h HIS 84 N 0.57 0.46 -3.69 0.00 -0.00 -1.97 -3.42 115.15 107.11 1x51 h HIS 84 Ca 0.57 0.04 -0.55 0.00 -0.00 0.00 0.00 60.37 60.43 1x51 h HIS 84 Cb 1.16 -0.09 0.19 0.00 -0.00 0.00 0.00 27.41 28.66 1x51 h HIS 84 CO -0.00 0.04 -0.06 -0.11 -0.00 0.00 0.00 177.93 177.79 1x51 n LEU 85 N -5.03 2.54 -3.57 2.43 7.94 0.02 -4.85 117.00 116.48 1x51 n LEU 85 Ca 0.14 0.58 -0.08 0.00 -1.11 0.00 0.00 56.01 55.54 1x51 n LEU 85 Cb 0.41 -1.36 -0.03 0.00 0.53 0.00 0.00 43.42 42.97 1x51 n LEU 85 CO 0.17 -2.44 0.84 0.00 -1.11 0.00 0.00 177.39 174.85 1x51 s ARG 86 N -3.43 0.54 -0.19 1.96 1.70 -1.20 -5.03 118.95 113.30 1x51 s ARG 86 Ca 0.69 -0.05 -0.22 0.00 -0.47 0.00 0.00 55.73 55.68 1x51 s ARG 86 Cb -0.31 0.25 -0.02 0.00 -0.57 0.00 0.00 34.95 34.29 1x51 s ARG 86 CO 0.55 -0.20 0.68 -1.58 -1.08 0.00 0.00 175.30 173.67 1x51 s HIS 87 N -1.97 3.39 -0.41 5.89 5.65 -1.26 -2.85 115.29 123.73 1x51 s HIS 87 Ca 0.04 1.02 0.02 0.00 0.25 0.00 0.00 55.06 56.39 1x51 s HIS 87 Cb -0.01 -2.85 0.12 0.00 -1.18 0.00 0.00 32.58 28.66 1x51 s HIS 87 CO -0.04 -0.18 0.19 -0.51 -0.65 0.00 0.00 174.74 173.55 1x51 s LEU 88 N 1.94 2.94 0.00 8.88 1.43 -1.10 -5.00 118.68 127.76 1x51 s LEU 88 Ca 0.31 -2.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.01 1x51 s LEU 88 Cb -0.16 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1x51 s LEU 88 CO 0.11 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1x51 n GLY 89 N 3.86 -1.70 3.40 -3.19 0.00 -1.26 -4.60 105.19 101.70 1x51 n GLY 89 Ca 0.05 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 1x51 n GLY 89 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x51 s GLU 90 N -1.11 1.44 -0.19 1.61 1.03 -1.26 -3.33 118.70 116.89 1x51 s GLU 90 Ca 0.00 -1.49 -0.05 0.00 0.03 0.00 0.00 54.97 53.46 1x51 s GLU 90 Cb 0.00 0.37 0.07 0.00 -0.80 0.00 0.00 34.13 33.77 1x51 s GLU 90 CO 0.00 -0.55 0.11 0.08 -1.33 0.00 0.00 175.26 173.58 1x51 s VAL 91 N -3.97 -0.12 -0.22 1.83 1.01 0.02 -4.84 120.40 114.10 1x51 s VAL 91 Ca 0.31 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1x51 s VAL 91 Cb 0.03 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.83 1x51 s VAL 91 CO 0.12 -0.31 -0.15 -0.69 0.00 0.00 0.00 175.10 174.07 1x51 s VAL 92 N 2.16 2.10 -0.01 2.92 1.01 -1.26 -0.86 120.40 126.46 1x51 s VAL 92 Ca 0.03 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 60.67 1x51 s VAL 92 Cb -0.16 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1x51 s VAL 92 CO -0.12 0.21 0.12 -2.28 0.00 0.00 0.00 175.10 173.03 1x51 s HIS 93 N 1.19 3.39 -0.38 5.22 2.46 -1.13 -5.01 115.29 121.03 1x51 s HIS 93 Ca -0.03 0.27 -0.05 0.00 0.47 0.00 0.00 55.06 55.72 1x51 s HIS 93 Cb -0.17 -1.78 0.08 0.00 -0.13 0.00 0.00 32.58 30.58 1x51 s HIS 93 CO -0.08 0.59 0.17 0.95 -2.47 0.00 0.00 174.74 173.90 1x51 s THR 94 N -1.23 3.62 0.91 0.89 -4.23 -1.26 -2.03 115.64 112.31 1x51 s THR 94 Ca 0.24 -1.57 -0.15 0.00 -1.18 0.00 0.00 61.69 59.02 1x51 s THR 94 Cb -0.12 -3.25 0.21 0.00 1.34 0.00 0.00 72.50 70.68 1x51 s THR 94 CO 0.15 -0.44 1.22 0.49 -0.54 0.00 0.00 174.62 175.50 1x51 n PHE 95 N 4.74 -4.00 -0.10 3.99 3.72 0.23 -4.97 117.46 121.08 1x51 n PHE 95 Ca -0.08 -1.08 -0.09 0.00 -0.05 0.00 0.00 57.45 56.15 1x51 n PHE 95 Cb 0.43 -0.95 -0.06 0.00 -0.94 0.00 0.00 39.48 37.95 1x51 n PHE 95 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1x51 h SER 96 N -1.64 -1.19 0.00 4.37 0.87 -2.05 -3.28 113.55 110.62 1x51 h SER 96 Ca -0.40 0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.28 1x51 h SER 96 Cb 1.09 0.49 -0.08 0.00 -0.44 0.00 0.00 62.40 63.46 1x51 h SER 96 CO 0.28 -0.25 -0.47 0.00 -0.53 0.00 0.00 176.83 175.86 1x51 n HIS 97 N -4.39 0.00 -4.10 2.24 1.44 -1.26 -5.05 115.22 104.10 1x51 n HIS 97 Ca -0.02 -0.69 -0.14 0.00 -2.01 0.00 0.00 57.72 54.86 1x51 n HIS 97 Cb 0.21 -0.14 -0.13 0.00 0.12 0.00 0.00 29.99 30.05 1x51 n HIS 97 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1x51 s ILE 98 N -1.47 0.42 -0.27 0.61 1.01 -1.24 -4.55 121.20 115.71 1x51 s ILE 98 Ca 0.24 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1x51 s ILE 98 Cb 0.24 -0.41 0.07 0.00 0.01 0.00 0.00 42.46 42.36 1x51 s ILE 98 CO -0.04 -0.08 -0.08 -0.75 0.00 0.00 0.00 174.94 173.99 1x51 s LYS 99 N -0.66 2.05 0.22 2.79 2.36 -0.98 0.77 119.74 126.29 1x51 s LYS 99 Ca -0.03 -1.40 -0.09 0.00 -2.55 0.00 0.00 55.97 51.89 1x51 s LYS 99 Cb -0.05 -2.91 -0.07 0.00 -1.05 0.00 0.00 37.83 33.75 1x51 s LYS 99 CO -0.00 -0.64 0.53 -0.51 1.55 0.00 0.00 175.35 176.29 1x51 s LEU 100 N 1.10 4.19 -0.25 5.43 2.01 -0.86 -3.77 118.68 126.53 1x51 s LEU 100 Ca -0.05 0.90 -0.02 0.00 0.01 0.00 0.00 54.13 54.97 1x51 s LEU 100 Cb -0.20 -3.62 0.08 0.00 0.01 0.00 0.00 46.19 42.46 1x51 s LEU 100 CO -0.06 -0.05 0.05 -0.89 1.01 0.00 0.00 176.35 176.41 1x51 s THR 101 N -1.78 0.78 -0.16 5.49 2.01 -0.61 -2.86 115.64 118.52 1x51 s THR 101 Ca 0.46 -1.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 1x51 s THR 101 Cb -0.11 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1x51 s THR 101 CO 0.21 -0.40 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.38 1x51 s TYR 102 N 1.71 3.00 -0.27 4.92 2.02 -0.03 -1.03 117.35 127.65 1x51 s TYR 102 Ca 0.03 -0.39 -0.15 0.00 -0.37 0.00 0.00 57.07 56.19 1x51 s TYR 102 Cb -0.17 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1x51 s TYR 102 CO -0.16 -0.10 0.39 -0.65 -1.57 0.00 0.00 175.55 173.46 1x51 s GLN 103 N 0.48 3.99 0.01 -0.62 -1.52 -0.62 -0.80 119.66 120.58 1x51 s GLN 103 Ca -0.04 0.03 -0.30 0.00 -1.95 0.00 0.00 55.36 53.10 1x51 s GLN 103 Cb -0.14 -3.67 -0.05 0.00 -0.22 0.00 0.00 33.01 28.93 1x51 s GLN 103 CO 0.03 -0.30 1.23 0.08 -0.25 0.00 0.00 175.29 176.08 1x51 s VAL 104 N 2.09 4.05 -0.04 1.09 1.01 -1.21 -2.04 120.40 125.36 1x51 s VAL 104 Ca 0.15 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1x51 s VAL 104 Cb -0.16 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1x51 s VAL 104 CO 0.10 0.05 -0.00 -0.31 0.00 0.00 0.00 175.10 174.94 1x51 s TYR 105 N 1.71 0.43 -0.11 5.22 2.02 -0.79 -2.71 117.35 123.11 1x51 s TYR 105 Ca 0.59 -0.04 -0.03 0.00 -0.37 0.00 0.00 57.07 57.21 1x51 s TYR 105 Cb -0.28 -0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.72 1x51 s TYR 105 CO 0.26 -0.18 0.01 0.20 -1.57 0.00 0.00 175.55 174.27 1x51 s GLY 106 N 1.25 1.85 -0.27 0.71 0.00 -1.13 0.76 107.32 110.49 1x51 s GLY 106 Ca -0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 1x51 s GLY 106 CO -0.02 -0.41 0.49 -2.27 0.00 0.00 0.00 173.10 170.89 1x51 s LEU 107 N -0.54 -1.03 0.06 0.66 1.98 -0.65 -3.25 118.68 115.92 1x51 s LEU 107 Ca 0.09 0.46 0.06 0.00 -2.89 0.00 0.00 54.13 51.86 1x51 s LEU 107 Cb -0.12 1.62 -0.03 0.00 0.66 0.00 0.00 46.19 48.33 1x51 s LEU 107 CO 0.02 -0.29 -0.17 0.00 -1.89 0.00 0.00 176.35 174.02 1x51 s ALA 108 N 2.70 1.44 -0.48 5.97 0.00 -1.26 -2.17 121.76 127.95 1x51 s ALA 108 Ca 0.16 -1.01 -0.23 0.00 0.00 0.00 0.00 51.96 50.88 1x51 s ALA 108 Cb -0.15 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.80 1x51 s ALA 108 CO -0.20 0.28 0.81 -0.51 0.00 0.00 0.00 175.76 176.13 1x51 s LEU 109 N -1.47 4.30 0.56 0.00 1.43 -1.02 -4.90 118.68 117.57 1x51 s LEU 109 Ca 0.03 -0.27 0.37 0.00 -1.03 0.00 0.00 54.13 53.24 1x51 s LEU 109 Cb -0.09 -2.87 1.53 0.00 0.03 0.00 0.00 46.19 44.79 1x51 s LEU 109 CO 0.02 -0.99 1.74 1.05 0.23 0.00 0.00 176.35 178.40 1x51 h GLU 110 N 9.07 0.00 0.00 1.70 4.11 -1.99 -3.41 114.58 124.05 1x51 h GLU 110 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1x51 h GLU 110 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1x51 h GLU 110 CO 0.99 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.48 1x51 n GLY 111 N -1.76 -0.03 0.28 1.06 0.00 -1.26 -4.98 105.19 98.49 1x51 n GLY 111 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1x51 n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x51 n GLN 112 N 0.00 0.00 -3.89 1.61 10.64 -1.26 -5.09 117.38 119.39 1x51 n GLN 112 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 1x51 n GLN 112 Cb 0.00 -0.21 -0.13 0.00 -0.86 0.00 0.00 30.24 29.03 1x51 n GLN 112 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1x51 s THR 113 N -0.71 0.02 0.97 -0.39 -4.23 -1.26 -5.16 115.64 104.88 1x51 s THR 113 Ca 0.00 -0.20 -0.16 0.00 -1.18 0.00 0.00 61.69 60.15 1x51 s THR 113 Cb 0.00 -0.07 0.24 0.00 1.34 0.00 0.00 72.50 74.01 1x51 s THR 113 CO 0.00 -0.11 0.87 -0.81 -0.54 0.00 0.00 174.62 174.03 1x51 n PRO 114 N 2.76 -2.70 -0.04 3.99 -0.04 -1.26 -5.04 135.00 132.67 1x51 n PRO 114 Ca -0.15 -1.39 -0.05 0.00 -0.04 0.00 0.00 63.50 61.88 1x51 n PRO 114 Cb 0.59 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.72 1x51 n PRO 114 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1x51 n VAL 115 N -4.37 0.42 -3.62 0.52 3.14 -1.26 -4.90 118.33 108.25 1x51 n VAL 115 Ca 0.12 -0.15 -0.28 0.00 -2.96 0.00 0.00 64.34 61.07 1x51 n VAL 115 Cb 0.47 -0.84 -0.06 0.00 -1.06 0.00 0.00 33.84 32.35 1x51 n VAL 115 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1x51 n THR 116 N -2.77 -0.15 -3.65 1.55 -2.24 -1.26 -4.84 114.28 100.92 1x51 n THR 116 Ca -0.13 -0.07 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 1x51 n THR 116 Cb 0.63 -0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 68.38 1x51 n THR 116 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x51 s THR 117 N -2.84 -0.51 -0.28 4.28 2.01 -1.26 -5.16 115.64 111.87 1x51 s THR 117 Ca 0.45 0.04 -0.22 0.00 0.31 0.00 0.00 61.69 62.27 1x51 s THR 117 Cb -0.26 -0.90 0.13 0.00 0.01 0.00 0.00 72.50 71.47 1x51 s THR 117 CO 0.70 0.02 0.99 0.54 -0.69 0.00 0.00 174.62 176.18 1x51 s VAL 118 N 2.28 0.00 0.95 3.82 0.11 -1.24 -3.94 120.40 122.38 1x51 s VAL 118 Ca -0.07 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.86 1x51 s VAL 118 Cb -0.09 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 33.92 1x51 s VAL 118 CO -0.18 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.53 1x51 s PRO 119 N 0.67 0.79 0.00 1.54 0.04 -1.26 -4.90 135.00 131.88 1x51 s PRO 119 Ca -0.02 0.66 0.15 0.00 0.04 0.00 0.00 61.00 61.84 1x51 s PRO 119 Cb -0.05 -1.77 0.90 0.00 0.04 0.00 0.00 34.50 33.63 1x51 s PRO 119 CO -0.10 -2.52 1.35 -0.35 0.04 0.00 0.00 177.00 175.42 1x51 n PRO 120 N -4.05 0.45 -0.15 0.56 -0.04 -1.26 -2.15 135.00 128.35 1x51 n PRO 120 Ca 0.06 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1x51 n PRO 120 Cb 0.56 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.71 1x51 n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x51 n GLY 121 N -0.03 1.56 3.27 0.55 0.00 -1.26 -4.97 105.19 104.31 1x51 n GLY 121 Ca 0.11 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 1x51 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x51 s ALA 122 N -1.49 1.48 -0.02 4.61 0.00 -0.92 -1.46 121.76 123.96 1x51 s ALA 122 Ca 0.35 -1.68 -0.14 0.00 0.00 0.00 0.00 51.96 50.49 1x51 s ALA 122 Cb 0.21 0.68 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1x51 s ALA 122 CO 0.29 -0.35 0.30 -0.98 0.00 0.00 0.00 175.76 175.03 1x51 s ARG 123 N -3.94 0.64 -0.41 0.00 1.70 0.78 -4.81 118.95 112.91 1x51 s ARG 123 Ca 0.28 -0.15 -0.09 0.00 -0.47 0.00 0.00 55.73 55.30 1x51 s ARG 123 Cb 0.06 0.28 0.07 0.00 -0.57 0.00 0.00 34.95 34.80 1x51 s ARG 123 CO 0.07 -0.17 0.24 -1.58 -1.08 0.00 0.00 175.30 172.78 1x51 s TRP 124 N -1.22 3.34 0.40 5.89 0.52 -1.26 -0.67 118.94 125.94 1x51 s TRP 124 Ca -0.13 -1.55 0.07 0.00 0.02 0.00 0.00 56.10 54.51 1x51 s TRP 124 Cb -0.05 -2.89 -0.08 0.00 -1.15 0.00 0.00 33.47 29.30 1x51 s TRP 124 CO 0.04 -0.84 0.01 -0.48 0.02 0.00 0.00 176.95 175.70 1x51 s LEU 125 N 1.41 2.80 0.71 2.99 0.05 -0.72 -4.95 118.68 120.97 1x51 s LEU 125 Ca 0.03 -1.36 -0.05 0.00 0.05 0.00 0.00 54.13 52.80 1x51 s LEU 125 Cb -0.23 -0.84 0.09 0.00 -2.05 0.00 0.00 46.19 43.16 1x51 s LEU 125 CO 0.02 -0.46 1.00 0.42 -0.55 0.00 0.00 176.35 176.78 1x51 s THR 126 N -2.77 2.27 0.17 5.48 -4.23 -1.26 0.13 115.64 115.43 1x51 s THR 126 Ca 0.35 -0.40 -0.15 0.00 -1.18 0.00 0.00 61.69 60.31 1x51 s THR 126 Cb 0.10 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 71.11 1x51 s THR 126 CO 0.18 0.00 1.81 1.56 -0.54 0.00 0.00 174.62 177.62 1x51 h GLN 127 N -0.58 0.53 -0.24 3.99 7.50 -1.94 0.35 115.11 124.71 1x51 h GLN 127 Ca -0.42 -0.03 -0.06 0.00 0.50 0.00 0.00 58.65 58.65 1x51 h GLN 127 Cb 1.29 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 28.68 1x51 h GLN 127 CO 0.50 0.35 -0.09 0.93 -1.50 0.00 0.00 178.83 179.02 1x51 h GLU 128 N 0.54 0.39 -0.05 1.46 4.39 -1.97 -2.48 114.58 116.86 1x51 h GLU 128 Ca 0.18 -0.09 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 1x51 h GLU 128 Cb 0.01 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1x51 h GLU 128 CO -0.08 0.49 -0.70 0.93 -1.16 0.00 0.00 179.01 178.49 1x51 h GLU 129 N 0.37 0.24 -0.36 2.33 4.39 -1.74 -3.09 114.58 116.72 1x51 h GLU 129 Ca 0.07 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1x51 h GLU 129 Cb 0.40 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1x51 h GLU 129 CO 0.02 0.84 0.19 0.35 -1.16 0.00 0.00 179.01 179.26 1x51 h PHE 130 N 0.17 0.50 -0.86 4.33 3.57 -0.49 0.18 116.94 124.34 1x51 h PHE 130 Ca -0.02 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1x51 h PHE 130 Cb 1.25 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.79 1x51 h PHE 130 CO 0.03 0.40 0.50 0.45 -2.23 0.00 0.00 178.31 177.46 1x51 h HIS 131 N 0.45 1.14 0.00 0.41 3.86 -1.53 -1.92 115.15 117.57 1x51 h HIS 131 Ca 0.13 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1x51 h HIS 131 Cb 0.07 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 1x51 h HIS 131 CO -0.02 0.77 -0.28 1.79 0.86 0.00 0.00 177.93 181.05 1x51 h THR 132 N 1.18 0.66 -3.61 2.45 1.35 -1.40 -3.45 112.91 110.09 1x51 h THR 132 Ca 0.31 -1.30 -0.44 0.00 -0.55 0.00 0.00 66.41 64.42 1x51 h THR 132 Cb -0.02 1.85 0.18 0.00 -1.73 0.00 0.00 68.15 68.43 1x51 h THR 132 CO -0.05 0.28 0.11 0.00 -0.25 0.00 0.00 175.52 175.61 1x51 s ALA 133 N -3.59 0.31 -0.73 6.62 0.00 0.02 -4.94 121.76 119.45 1x51 s ALA 133 Ca 0.01 -0.29 -0.22 0.00 0.00 0.00 0.00 51.96 51.46 1x51 s ALA 133 Cb 0.10 -3.16 0.08 0.00 0.00 0.00 0.00 23.12 20.14 1x51 s ALA 133 CO 0.66 -3.29 1.02 0.00 0.00 0.00 0.00 175.76 174.15 1x51 s ALA 134 N -2.76 3.14 0.04 0.00 0.00 -1.26 -5.00 121.76 115.92 1x51 s ALA 134 Ca 0.67 -2.04 0.06 0.00 0.00 0.00 0.00 51.96 50.65 1x51 s ALA 134 Cb -0.21 -3.93 -0.02 0.00 0.00 0.00 0.00 23.12 18.95 1x51 s ALA 134 CO 0.61 -2.86 -0.17 0.08 0.00 0.00 0.00 175.76 173.41 1x51 s VAL 135 N 3.85 1.35 0.32 0.00 1.01 -1.25 -0.92 120.40 124.77 1x51 s VAL 135 Ca 0.25 -1.06 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 1x51 s VAL 135 Cb -0.14 -1.20 -0.10 0.00 0.00 0.00 0.00 36.38 34.95 1x51 s VAL 135 CO 0.05 0.11 0.98 -0.94 0.00 0.00 0.00 175.10 175.31 1x51 s SER 136 N -1.10 7.25 0.09 3.32 1.04 -1.26 -4.76 113.70 118.29 1x51 s SER 136 Ca 0.04 1.94 -0.18 0.00 0.48 0.00 0.00 55.95 58.23 1x51 s SER 136 Cb -0.08 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 1x51 s SER 136 CO 0.01 -0.14 1.07 0.41 0.98 0.00 0.00 173.24 175.57 1x51 n THR 137 N 0.60 -0.40 -0.31 2.02 -1.04 -1.26 -0.17 114.28 113.72 1x51 n THR 137 Ca 0.02 1.66 -0.06 0.00 -2.04 0.00 0.00 64.05 63.63 1x51 n THR 137 Cb 0.49 -2.08 -0.04 0.00 -1.82 0.00 0.00 70.33 66.88 1x51 n THR 137 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x51 n ALA 138 N -3.29 -0.35 -0.05 2.41 0.00 -1.26 0.21 120.51 118.18 1x51 n ALA 138 Ca 0.01 0.69 -0.11 0.00 0.00 0.00 0.00 53.44 54.03 1x51 n ALA 138 Cb 0.15 -0.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.36 1x51 n ALA 138 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1x51 h MET 139 N 0.00 0.29 0.00 0.00 2.07 -0.93 -2.33 114.93 114.03 1x51 h MET 139 Ca 0.17 -0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.73 1x51 h MET 139 Cb 0.37 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 1x51 h MET 139 CO -0.73 0.45 0.24 0.87 1.07 0.00 0.00 176.91 178.81 1x51 h LYS 140 N 0.08 0.00 0.00 1.72 1.57 0.23 0.51 116.57 120.68 1x51 h LYS 140 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1x51 h LYS 140 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1x51 h LYS 140 CO 0.00 0.00 -1.15 0.87 -0.57 0.00 0.00 179.45 178.60 1x51 h LYS 141 N 0.00 0.00 0.00 3.15 1.57 0.16 -3.31 116.57 118.14 1x51 h LYS 141 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x51 h LYS 141 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1x51 h LYS 141 CO 0.00 0.16 0.00 0.28 -0.57 0.00 0.00 179.45 179.32 1x51 n VAL 142 N -2.82 0.54 -0.08 0.50 0.31 0.18 -2.98 118.33 113.98 1x51 n VAL 142 Ca -0.04 -0.06 -0.16 0.00 -0.01 0.00 0.00 64.34 64.07 1x51 n VAL 142 Cb 0.70 -0.73 -0.11 0.00 -0.91 0.00 0.00 33.84 32.79 1x51 n VAL 142 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1x51 h PHE 143 N 0.00 0.00 0.00 3.52 3.57 -1.61 -3.23 116.94 119.19 1x51 h PHE 143 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1x51 h PHE 143 Cb 0.56 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1x51 h PHE 143 CO 0.00 1.08 -0.05 0.07 -2.23 0.00 0.00 178.31 177.19 1x51 h ARG 144 N -1.00 0.00 0.00 1.11 0.11 -1.68 -0.70 114.38 112.22 1x51 h ARG 144 Ca -0.14 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.92 1x51 h ARG 144 Cb 1.03 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.11 1x51 h ARG 144 CO -0.08 0.05 -0.12 0.28 0.10 0.00 0.00 179.97 180.19 1x51 h VAL 145 N 0.00 0.21 0.19 0.08 2.07 -1.65 -3.29 116.25 113.86 1x51 h VAL 145 Ca -0.00 -1.27 -0.34 0.00 0.82 0.00 0.00 66.70 65.91 1x51 h VAL 145 Cb 0.17 2.08 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1x51 h VAL 145 CO 0.01 0.12 -1.65 0.22 0.02 0.00 0.00 177.57 176.29 1x51 h TYR 146 N 0.00 0.72 -0.75 1.57 3.20 -1.15 -3.35 116.97 117.22 1x51 h TYR 146 Ca -0.00 -0.53 0.10 0.00 3.14 0.00 0.00 58.73 61.44 1x51 h TYR 146 Cb 1.07 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.24 1x51 h TYR 146 CO 0.00 1.59 0.39 1.96 -1.64 0.00 0.00 178.16 180.46 1x51 h GLN 147 N 0.11 0.63 0.00 1.82 4.20 -1.52 -3.29 115.11 117.06 1x51 h GLN 147 Ca -0.30 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1x51 h GLN 147 Cb 2.10 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.74 1x51 h GLN 147 CO 0.20 0.42 0.00 0.41 -0.67 0.00 0.00 178.83 179.18 1x51 n GLY 148 N -1.31 -2.57 4.43 3.46 0.00 -1.24 -4.79 105.19 103.17 1x51 n GLY 148 Ca 0.12 0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1x51 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x51 n GLN 149 N -0.30 -1.33 -3.86 1.61 10.64 -1.24 -4.91 117.38 117.99 1x51 n GLN 149 Ca 0.00 0.19 -0.12 0.00 -1.83 0.00 0.00 57.00 55.24 1x51 n GLN 149 Cb 0.00 -4.63 -0.12 0.00 -0.86 0.00 0.00 30.24 24.63 1x51 n GLN 149 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1x51 s SER 150 N -3.45 -0.04 0.04 2.61 0.15 -1.26 -5.16 113.70 106.58 1x51 s SER 150 Ca 0.68 0.03 0.04 0.00 0.70 0.00 0.00 55.95 57.40 1x51 s SER 150 Cb -0.39 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 1x51 s SER 150 CO 1.00 -0.14 -0.06 -0.83 1.20 0.00 0.00 173.24 174.41 1x51 s GLY 151 N -0.43 1.79 0.00 9.45 0.00 -1.26 -5.00 107.32 111.87 1x51 s GLY 151 Ca -0.05 -1.08 0.15 0.00 0.00 0.00 0.00 44.72 43.74 1x51 s GLY 151 CO 0.00 -0.99 1.39 -1.55 0.00 0.00 0.00 173.10 171.95 1x51 n PRO 152 N 1.22 0.30 -1.19 2.90 -0.04 -1.26 -4.87 135.00 132.06 1x51 n PRO 152 Ca -0.14 0.10 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 1x51 n PRO 152 Cb 0.52 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1x51 n PRO 152 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x51 n SER 153 N -1.19 -4.20 -0.06 3.54 2.88 -1.26 -4.94 113.62 108.39 1x51 n SER 153 Ca 0.09 0.54 -0.10 0.00 -1.33 0.00 0.00 58.87 58.06 1x51 n SER 153 Cb 0.10 -0.83 -0.05 0.00 -0.75 0.00 0.00 64.21 62.67 1x51 n SER 153 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x51 n SER 154 N 2.70 2.11 0.00 -3.46 2.88 -1.26 -5.27 113.62 111.32 1x51 n SER 154 Ca 0.06 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1x51 n SER 154 Cb 0.49 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1x51 n SER 154 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42