#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x51 s SER 2 N 0.00 1.58 0.02 1.61 1.04 -1.26 -5.16 113.70 111.53 1x51 s SER 2 Ca 0.00 -0.79 -0.07 0.00 0.48 0.00 0.00 55.95 55.57 1x51 s SER 2 Cb 0.00 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.10 1x51 s SER 2 CO 0.00 -0.22 0.12 -0.94 0.98 0.00 0.00 173.24 173.18 1x51 s SER 3 N -2.38 0.09 0.00 7.02 1.04 -1.26 -5.11 113.70 113.10 1x51 s SER 3 Ca 0.05 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1x51 s SER 3 Cb -0.04 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1x51 s SER 3 CO 0.01 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1x51 n GLY 4 N 1.15 0.11 3.80 7.32 0.00 -1.26 -5.12 105.19 111.19 1x51 n GLY 4 Ca -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1x51 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x51 s SER 5 N 1.00 5.48 -0.29 1.61 0.15 -1.26 -5.02 113.70 115.37 1x51 s SER 5 Ca 0.00 -0.17 -0.00 0.00 0.70 0.00 0.00 55.95 56.48 1x51 s SER 5 Cb 0.00 -1.41 0.09 0.00 -1.71 0.00 0.00 66.02 62.98 1x51 s SER 5 CO 0.00 0.05 0.06 -0.44 1.20 0.00 0.00 173.24 174.11 1x51 s SER 6 N -3.23 3.94 0.00 5.45 0.01 -1.26 -4.93 113.70 113.67 1x51 s SER 6 Ca 0.31 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1x51 s SER 6 Cb -0.10 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.17 1x51 s SER 6 CO 0.23 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1x51 n GLY 7 N 4.78 -0.86 0.16 3.44 0.00 -1.26 -5.07 105.19 106.38 1x51 n GLY 7 Ca -0.04 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1x51 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x51 h PRO 8 N 0.00 0.47 -5.79 1.61 0.13 -1.97 -3.46 132.00 122.99 1x51 h PRO 8 Ca 0.00 -0.25 -0.62 0.00 -0.87 0.00 0.00 66.00 64.26 1x51 h PRO 8 Cb 0.00 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.01 1x51 h PRO 8 CO 0.00 0.82 -0.63 0.50 -0.23 0.00 0.00 178.00 178.46 1x51 s ARG 9 N -4.31 1.91 1.04 0.86 3.52 -1.26 -5.12 118.95 115.58 1x51 s ARG 9 Ca -0.14 -2.03 -0.24 0.00 -0.13 0.00 0.00 55.73 53.20 1x51 s ARG 9 Cb 0.06 -1.68 -0.09 0.00 -1.56 0.00 0.00 34.95 31.68 1x51 s ARG 9 CO 0.78 0.03 -0.96 1.63 -0.81 0.00 0.00 175.30 175.98 1x51 n LYS 10 N -0.90 -0.51 -1.54 5.12 4.76 -1.26 -4.52 118.16 119.31 1x51 n LYS 10 Ca -0.05 -0.14 -0.14 0.00 -2.87 0.00 0.00 58.31 55.11 1x51 n LYS 10 Cb 0.65 -1.25 -0.10 0.00 -1.84 0.00 0.00 35.03 32.50 1x51 n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x51 n ALA 11 N -3.72 0.42 -3.65 7.82 0.00 -1.26 -4.79 120.51 115.33 1x51 n ALA 11 Ca -0.01 -1.42 -0.04 0.00 0.00 0.00 0.00 53.44 51.97 1x51 n ALA 11 Cb 0.69 -3.11 -0.05 0.00 0.00 0.00 0.00 19.45 16.98 1x51 n ALA 11 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x51 s SER 12 N 8.91 -1.05 -1.16 0.00 0.01 -1.26 -5.08 113.70 114.07 1x51 s SER 12 Ca 0.94 1.54 -0.23 0.00 1.31 0.00 0.00 55.95 59.52 1x51 s SER 12 Cb -0.21 1.91 -0.09 0.00 0.21 0.00 0.00 66.02 67.84 1x51 s SER 12 CO 0.16 -0.23 1.95 -0.13 0.41 0.00 0.00 173.24 175.40 1x51 s ARG 13 N 2.38 2.41 0.02 12.44 3.00 -1.26 -4.85 118.95 133.09 1x51 s ARG 13 Ca -0.08 -1.06 -0.08 0.00 0.00 0.00 0.00 55.73 54.51 1x51 s ARG 13 Cb -0.09 -5.21 0.00 0.00 0.00 0.00 0.00 34.95 29.64 1x51 s ARG 13 CO -0.19 -4.05 0.16 0.15 0.00 0.00 0.00 175.30 171.37 1x51 s LYS 14 N 6.63 0.60 0.31 3.54 -0.14 -1.26 -5.15 119.74 124.27 1x51 s LYS 14 Ca 0.69 -0.55 -0.29 0.00 -1.36 0.00 0.00 55.97 54.46 1x51 s LYS 14 Cb -0.01 0.25 -0.10 0.00 -1.68 0.00 0.00 37.83 36.28 1x51 s LYS 14 CO 0.13 -0.16 1.23 -1.25 -0.76 0.00 0.00 175.35 174.54 1x51 s PRO 15 N -2.09 4.46 0.19 -1.68 0.04 -1.26 -4.96 135.00 129.70 1x51 s PRO 15 Ca -0.09 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.96 1x51 s PRO 15 Cb -0.04 -3.12 0.10 0.00 0.04 0.00 0.00 34.50 31.49 1x51 s PRO 15 CO -0.02 -0.04 1.54 -1.00 0.04 0.00 0.00 177.00 177.52 1x51 h PRO 16 N 3.62 0.71 -0.88 0.56 0.13 -1.98 -3.28 132.00 130.87 1x51 h PRO 16 Ca -0.48 -0.38 0.11 0.00 -0.87 0.00 0.00 66.00 64.39 1x51 h PRO 16 Cb 1.22 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 1x51 h PRO 16 CO 0.66 0.99 -0.41 0.54 -0.23 0.00 0.00 178.00 179.56 1x51 n ARG 17 N -4.03 -0.27 -2.98 0.86 1.74 -1.26 -3.32 116.66 107.40 1x51 n ARG 17 Ca -0.02 1.35 -0.44 0.00 -0.77 0.00 0.00 57.85 57.97 1x51 n ARG 17 Cb 0.54 -1.99 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 1x51 n ARG 17 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1x51 s GLU 18 N -5.69 3.08 -0.13 5.56 0.41 -1.24 -2.08 118.70 118.62 1x51 s GLU 18 Ca -0.12 -1.05 -0.04 0.00 -0.41 0.00 0.00 54.97 53.35 1x51 s GLU 18 Cb 0.15 -4.24 0.05 0.00 -1.78 0.00 0.00 34.13 28.31 1x51 s GLU 18 CO 0.60 -1.68 0.09 -1.21 -0.49 0.00 0.00 175.26 172.56 1x51 s GLU 19 N 3.42 0.02 0.01 1.61 2.02 -1.21 -4.87 118.70 119.70 1x51 s GLU 19 Ca 0.17 0.09 0.08 0.00 0.02 0.00 0.00 54.97 55.33 1x51 s GLU 19 Cb -0.20 -1.36 -0.03 0.00 0.10 0.00 0.00 34.13 32.64 1x51 s GLU 19 CO 0.08 -0.56 -0.23 -1.54 0.02 0.00 0.00 175.26 173.04 1x51 s SER 20 N 2.16 3.36 0.08 -0.19 1.04 -1.26 -1.59 113.70 117.31 1x51 s SER 20 Ca 0.03 -0.47 -0.22 0.00 0.48 0.00 0.00 55.95 55.77 1x51 s SER 20 Cb -0.15 -0.44 0.06 0.00 0.10 0.00 0.00 66.02 65.59 1x51 s SER 20 CO -0.07 0.29 0.54 -0.44 0.98 0.00 0.00 173.24 174.54 1x51 s SER 21 N -1.00 -0.47 -0.17 7.02 0.01 0.17 -3.86 113.70 115.42 1x51 s SER 21 Ca 0.12 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1x51 s SER 21 Cb -0.10 0.52 0.03 0.00 0.21 0.00 0.00 66.02 66.68 1x51 s SER 21 CO 0.01 -0.80 -0.12 0.00 0.41 0.00 0.00 173.24 172.74 1x51 s ALA 22 N -2.93 1.89 0.12 1.44 0.00 -0.39 -1.61 121.76 120.27 1x51 s ALA 22 Ca -0.03 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.00 1x51 s ALA 22 Cb -0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1x51 s ALA 22 CO -0.06 -0.55 -0.05 -0.08 0.00 0.00 0.00 175.76 175.03 1x51 s THR 23 N 1.46 3.65 0.20 0.00 -1.32 -0.87 0.10 115.64 118.86 1x51 s THR 23 Ca 0.03 -1.22 0.08 0.00 -1.21 0.00 0.00 61.69 59.36 1x51 s THR 23 Cb -0.14 -2.75 -0.05 0.00 -1.51 0.00 0.00 72.50 68.06 1x51 s THR 23 CO -0.10 0.06 -0.15 0.00 -2.21 0.00 0.00 174.62 172.23 1x51 s VAL 25 N -2.84 3.52 -0.27 0.00 1.01 0.22 -4.43 120.40 117.61 1x51 s VAL 25 Ca 0.21 -2.95 -0.29 0.00 0.00 0.00 0.00 61.98 58.96 1x51 s VAL 25 Cb -0.01 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1x51 s VAL 25 CO 0.07 -0.85 1.13 -0.22 0.00 0.00 0.00 175.10 175.23 1x51 s LEU 26 N -0.01 4.01 0.03 3.92 2.96 -1.25 -2.34 118.68 126.00 1x51 s LEU 26 Ca 0.16 1.27 0.04 0.00 -0.22 0.00 0.00 54.13 55.38 1x51 s LEU 26 Cb -0.21 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 1x51 s LEU 26 CO -0.03 -0.84 -0.12 -0.70 -1.32 0.00 0.00 176.35 173.34 1x51 s GLU 27 N 3.60 0.79 0.04 1.98 2.12 -0.63 -1.88 118.70 124.71 1x51 s GLU 27 Ca 0.48 -0.69 0.02 0.00 0.36 0.00 0.00 54.97 55.15 1x51 s GLU 27 Cb -0.15 -0.75 -0.02 0.00 0.26 0.00 0.00 34.13 33.47 1x51 s GLU 27 CO 0.14 0.18 -0.08 1.14 -0.54 0.00 0.00 175.26 176.10 1x51 s GLN 28 N -1.10 0.54 -0.06 4.30 -2.07 -0.54 -1.10 119.66 119.64 1x51 s GLN 28 Ca -0.01 -0.74 -0.30 0.00 -1.82 0.00 0.00 55.36 52.50 1x51 s GLN 28 Cb -0.08 -0.34 -0.05 0.00 -1.09 0.00 0.00 33.01 31.46 1x51 s GLN 28 CO 0.01 0.06 1.50 -1.25 -1.32 0.00 0.00 175.29 174.29 1x51 s PRO 29 N -1.51 4.22 0.37 9.60 0.04 -1.26 -1.92 135.00 144.55 1x51 s PRO 29 Ca -0.09 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.05 1x51 s PRO 29 Cb -0.10 -3.80 -0.07 0.00 0.04 0.00 0.00 34.50 30.57 1x51 s PRO 29 CO 0.00 -0.74 -0.03 0.20 0.04 0.00 0.00 177.00 176.48 1x51 s GLY 30 N 2.59 2.29 0.16 0.56 0.00 -0.84 -4.92 107.32 107.16 1x51 s GLY 30 Ca 0.67 -2.15 -0.25 0.00 0.00 0.00 0.00 44.72 42.98 1x51 s GLY 30 CO 0.25 -2.03 1.58 0.00 0.00 0.00 0.00 173.10 172.91 1x51 h ALA 31 N 1.88 -0.33 -0.67 3.20 0.00 -1.98 -1.03 119.26 120.34 1x51 h ALA 31 Ca -0.43 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1x51 h ALA 31 Cb 1.25 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 19.82 1x51 h ALA 31 CO 0.73 -0.81 0.42 -0.07 0.00 0.00 0.00 179.25 179.52 1x51 h LEU 32 N -0.30 0.79 0.00 0.00 3.38 -2.01 -3.47 115.31 113.70 1x51 h LEU 32 Ca 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1x51 h LEU 32 Cb 0.57 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1x51 h LEU 32 CO -0.56 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1x51 n GLY 33 N -1.21 -1.68 3.50 0.83 0.00 -0.39 -5.16 105.19 101.08 1x51 n GLY 33 Ca 0.05 0.59 -0.11 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.78 -0.03 4.61 0.00 -1.26 -1.98 121.76 121.33 1x51 s ALA 34 Ca 0.00 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.90 1x51 s ALA 34 Cb 0.00 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.44 1x51 s ALA 34 CO 0.00 -0.61 0.15 -0.65 0.00 0.00 0.00 175.76 174.65 1x51 s GLN 35 N -2.73 0.36 0.51 0.00 1.11 -0.81 -4.29 119.66 113.82 1x51 s GLN 35 Ca 0.01 -0.13 0.06 0.00 0.01 0.00 0.00 55.36 55.31 1x51 s GLN 35 Cb -0.01 0.16 0.02 0.00 -1.01 0.00 0.00 33.01 32.17 1x51 s GLN 35 CO -0.06 -0.08 0.33 0.96 0.01 0.00 0.00 175.29 176.46 1x51 s ILE 36 N -0.75 1.80 -0.03 1.08 -4.36 0.87 -1.47 121.20 118.34 1x51 s ILE 36 Ca -0.08 -1.55 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 1x51 s ILE 36 Cb -0.05 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.28 1x51 s ILE 36 CO 0.01 0.00 -0.07 -0.22 0.24 0.00 0.00 174.94 174.90 1x51 s LEU 37 N -4.18 3.14 -0.04 0.37 2.96 -0.79 -2.42 118.68 117.72 1x51 s LEU 37 Ca 0.34 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1x51 s LEU 37 Cb -0.01 -1.75 0.03 0.00 0.50 0.00 0.00 46.19 44.96 1x51 s LEU 37 CO 0.20 0.32 0.06 -0.22 -1.32 0.00 0.00 176.35 175.39 1x51 s LEU 38 N -1.15 0.23 -0.04 -0.68 2.96 0.92 -4.61 118.68 116.31 1x51 s LEU 38 Ca 0.15 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 1x51 s LEU 38 Cb -0.11 -0.10 -0.03 0.00 0.50 0.00 0.00 46.19 46.45 1x51 s LEU 38 CO 0.05 -0.24 -0.08 0.68 -1.32 0.00 0.00 176.35 175.44 1x51 s VAL 39 N 2.06 3.54 0.43 1.68 -7.23 -0.57 0.06 120.40 120.37 1x51 s VAL 39 Ca 0.03 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 1x51 s VAL 39 Cb -0.12 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 1x51 s VAL 39 CO -0.03 0.52 0.65 0.00 -0.31 0.00 0.00 175.10 175.92 1x51 s GLN 40 N -1.03 3.19 -0.14 4.82 -2.07 -1.25 -0.53 119.66 122.64 1x51 s GLN 40 Ca 0.14 -0.43 -0.06 0.00 -1.82 0.00 0.00 55.36 53.19 1x51 s GLN 40 Cb -0.11 -2.58 -0.04 0.00 -1.09 0.00 0.00 33.01 29.19 1x51 s GLN 40 CO 0.04 -0.17 0.08 1.03 -1.32 0.00 0.00 175.29 174.95 1x51 s ARG 41 N -4.50 3.55 0.00 9.60 0.52 -1.09 -4.94 118.95 122.09 1x51 s ARG 41 Ca 0.46 -0.27 0.11 0.00 -0.52 0.00 0.00 55.73 55.51 1x51 s ARG 41 Cb -0.10 -3.12 0.68 0.00 0.52 0.00 0.00 34.95 32.93 1x51 s ARG 41 CO 0.38 0.57 1.11 -0.35 0.02 0.00 0.00 175.30 177.02 1x51 n PRO 42 N 2.62 0.49 -2.57 3.54 -0.04 -1.26 -3.41 135.00 134.36 1x51 n PRO 42 Ca -0.18 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.88 1x51 n PRO 42 Cb 0.54 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.58 1x51 n PRO 42 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1x51 s ASN 43 N -1.87 7.28 -0.17 3.54 3.84 -1.26 -4.88 114.94 121.42 1x51 s ASN 43 Ca 0.17 2.13 0.00 0.00 0.21 0.00 0.00 52.86 55.38 1x51 s ASN 43 Cb 0.08 -2.61 0.04 0.00 -0.55 0.00 0.00 41.25 38.20 1x51 s ASN 43 CO 0.13 -0.12 -0.10 -0.44 -2.79 0.00 0.00 177.10 173.78 1x51 s SER 44 N -1.10 3.01 0.00 -4.21 0.01 -1.26 0.12 113.70 110.26 1x51 s SER 44 Ca 0.46 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1x51 s SER 44 Cb -0.28 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 64.84 1x51 s SER 44 CO 0.36 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1x51 n GLY 45 N 4.77 0.69 3.57 3.44 0.00 -1.26 -4.94 105.19 111.46 1x51 n GLY 45 Ca -0.14 -1.73 -0.53 0.00 0.00 0.00 0.00 46.02 43.62 1x51 n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x51 n LEU 46 N 0.00 2.38 -3.59 0.99 4.77 -1.26 -0.45 117.00 119.84 1x51 n LEU 46 Ca 0.00 0.76 -0.22 0.00 -0.03 0.00 0.00 56.01 56.51 1x51 n LEU 46 Cb 0.00 -1.22 0.08 0.00 -2.33 0.00 0.00 43.42 39.95 1x51 n LEU 46 CO 0.00 -0.51 0.18 0.18 -1.33 0.00 0.00 177.39 175.91 1x51 n LEU 47 N 7.61 -3.50 -4.24 2.23 4.77 -1.26 -5.00 117.00 117.61 1x51 n LEU 47 Ca 0.34 -0.60 -0.15 0.00 -0.03 0.00 0.00 56.01 55.57 1x51 n LEU 47 Cb 0.19 -3.00 -0.10 0.00 -2.33 0.00 0.00 43.42 38.17 1x51 n LEU 47 CO 0.78 0.55 -0.42 0.00 -1.33 0.00 0.00 177.39 176.97 1x51 s ALA 48 N -3.35 1.41 -0.96 -1.18 0.00 0.41 -4.83 121.76 113.26 1x51 s ALA 48 Ca 0.40 -1.42 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 1x51 s ALA 48 Cb -0.18 0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1x51 s ALA 48 CO 0.74 -0.06 0.65 0.41 0.00 0.00 0.00 175.76 177.50 1x51 n GLY 49 N 0.01 -0.07 3.61 0.00 0.00 0.32 -4.42 105.19 104.63 1x51 n GLY 49 Ca -0.12 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.99 3.11 0.05 0.99 2.01 -1.26 -4.80 118.68 113.78 1x51 s LEU 50 Ca 0.32 -0.49 -0.29 0.00 0.01 0.00 0.00 54.13 53.68 1x51 s LEU 50 Cb -0.14 -1.79 -0.04 0.00 0.01 0.00 0.00 46.19 44.22 1x51 s LEU 50 CO 0.40 0.11 0.94 0.26 1.01 0.00 0.00 176.35 179.06 1x51 s TRP 51 N -1.65 3.73 -0.03 0.29 0.52 -1.08 -2.68 118.94 118.04 1x51 s TRP 51 Ca 0.25 1.70 -0.29 0.00 0.02 0.00 0.00 56.10 57.78 1x51 s TRP 51 Cb -0.09 -3.05 0.08 0.00 -1.15 0.00 0.00 33.47 29.26 1x51 s TRP 51 CO 0.16 0.12 0.73 -1.83 0.02 0.00 0.00 176.95 176.15 1x51 s GLU 52 N 0.46 1.01 0.58 4.98 -1.05 0.30 -4.25 118.70 120.73 1x51 s GLU 52 Ca 0.48 0.08 -0.20 0.00 -0.15 0.00 0.00 54.97 55.18 1x51 s GLU 52 Cb -0.22 0.47 -0.05 0.00 -0.44 0.00 0.00 34.13 33.90 1x51 s GLU 52 CO 0.28 -0.35 1.14 1.19 0.95 0.00 0.00 175.26 178.47 1x51 n PHE 53 N 0.58 1.47 -2.25 4.83 3.72 -1.26 -1.50 117.46 123.05 1x51 n PHE 53 Ca -0.17 0.44 -0.40 0.00 -0.05 0.00 0.00 57.45 57.28 1x51 n PHE 53 Cb 0.59 -2.23 -0.03 0.00 -0.94 0.00 0.00 39.48 36.87 1x51 n PHE 53 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1x51 s PRO 54 N -2.85 4.37 0.12 -1.08 0.04 -1.26 -4.81 135.00 129.52 1x51 s PRO 54 Ca 0.75 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.80 1x51 s PRO 54 Cb -0.42 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1x51 s PRO 54 CO 0.47 -0.11 0.03 -1.54 0.04 0.00 0.00 177.00 175.89 1x51 s SER 55 N -0.74 0.50 0.46 6.66 1.04 -1.26 -2.45 113.70 117.91 1x51 s SER 55 Ca 0.49 -1.15 0.03 0.00 0.48 0.00 0.00 55.95 55.80 1x51 s SER 55 Cb -0.36 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 1x51 s SER 55 CO 0.46 -0.67 0.10 0.68 0.98 0.00 0.00 173.24 174.79 1x51 s VAL 56 N -3.95 0.67 0.33 5.02 -7.23 0.11 -4.89 120.40 110.46 1x51 s VAL 56 Ca 0.20 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.08 1x51 s VAL 56 Cb 0.07 -2.20 -0.10 0.00 0.56 0.00 0.00 36.38 34.71 1x51 s VAL 56 CO -0.01 0.00 1.29 0.42 -0.31 0.00 0.00 175.10 176.49 1x51 s THR 57 N -3.08 2.77 0.99 5.32 -4.23 -1.26 -1.26 115.64 114.88 1x51 s THR 57 Ca 0.15 0.77 -0.14 0.00 -1.18 0.00 0.00 61.69 61.29 1x51 s THR 57 Cb 0.01 -3.49 0.04 0.00 1.34 0.00 0.00 72.50 70.39 1x51 s THR 57 CO 0.10 0.18 0.23 1.87 -0.54 0.00 0.00 174.62 176.47 1x51 n TRP 58 N 0.83 -1.68 -3.69 3.99 -0.00 -1.25 -4.67 117.44 110.97 1x51 n TRP 58 Ca -0.00 0.20 -0.10 0.00 -0.00 0.00 0.00 57.50 57.60 1x51 n TRP 58 Cb 0.42 -1.71 -0.11 0.00 -0.00 0.00 0.00 31.31 29.91 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 -3.48 0.40 0.35 5.87 0.41 -1.26 -4.96 118.70 116.02 1x51 s GLU 59 Ca 0.55 0.83 0.14 0.00 -0.41 0.00 0.00 54.97 56.08 1x51 s GLU 59 Cb -0.19 0.02 0.63 0.00 -1.78 0.00 0.00 34.13 32.81 1x51 s GLU 59 CO 0.68 -0.17 1.75 -1.00 -0.49 0.00 0.00 175.26 176.04 1x51 h PRO 60 N 7.22 0.00 -5.73 0.39 0.13 -1.98 -3.43 132.00 128.60 1x51 h PRO 60 Ca -0.34 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.20 1x51 h PRO 60 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 1x51 h PRO 60 CO 0.27 0.44 -0.21 0.45 -0.23 0.00 0.00 178.00 178.72 1x51 s SER 61 N -6.78 6.64 0.36 1.44 0.15 -1.26 -4.97 113.70 109.28 1x51 s SER 61 Ca -0.02 0.76 0.10 0.00 0.70 0.00 0.00 55.95 57.49 1x51 s SER 61 Cb 0.13 -2.24 0.86 0.00 -1.71 0.00 0.00 66.02 63.06 1x51 s SER 61 CO 0.72 0.12 1.85 1.05 1.20 0.00 0.00 173.24 178.18 1x51 h GLU 62 N 6.18 0.63 0.13 5.44 9.09 -2.01 -1.98 114.58 132.06 1x51 h GLU 62 Ca -0.44 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 58.93 1x51 h GLU 62 Cb 1.19 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 1x51 h GLU 62 CO 0.72 0.41 -0.06 0.37 0.05 0.00 0.00 179.01 180.50 1x51 h GLN 63 N 0.65 -0.17 -0.83 1.06 4.15 -1.95 -3.19 115.11 114.81 1x51 h GLN 63 Ca 0.48 0.01 0.32 0.00 0.77 0.00 0.00 58.65 60.23 1x51 h GLN 63 Cb 0.86 0.04 -0.15 0.00 0.21 0.00 0.00 27.48 28.43 1x51 h GLN 63 CO -0.23 -0.12 0.34 1.28 -1.93 0.00 0.00 178.83 178.17 1x51 n LEU 64 N -3.10 0.19 -0.07 -2.39 4.32 -1.14 0.16 117.00 114.98 1x51 n LEU 64 Ca -0.02 1.39 -0.08 0.00 -0.02 0.00 0.00 56.01 57.28 1x51 n LEU 64 Cb 0.07 -0.63 -0.01 0.00 -1.62 0.00 0.00 43.42 41.23 1x51 n LEU 64 CO 0.05 -1.52 0.91 -0.61 -1.22 0.00 0.00 177.39 175.01 1x51 h GLN 65 N 0.00 0.19 -0.05 3.23 5.75 -1.43 -1.68 115.11 121.12 1x51 h GLN 65 Ca 0.65 -0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 59.00 1x51 h GLN 65 Cb 1.65 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 30.15 1x51 h GLN 65 CO -0.68 0.12 -0.62 0.00 -2.65 0.00 0.00 178.83 175.00 1x51 h ARG 66 N 0.19 0.18 0.81 1.69 3.08 0.16 -0.64 114.38 119.85 1x51 h ARG 66 Ca 0.12 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1x51 h ARG 66 Cb 0.10 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1x51 h ARG 66 CO -0.13 0.74 -0.48 0.87 -1.07 0.00 0.00 179.97 179.90 1x51 h LYS 67 N 0.13 -1.16 -0.29 0.04 1.57 -0.21 -1.15 116.57 115.51 1x51 h LYS 67 Ca -0.01 0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 1x51 h LYS 67 Cb 1.12 0.26 -0.00 0.00 0.08 0.00 0.00 32.23 33.69 1x51 h LYS 67 CO 0.09 -0.77 -0.51 0.00 -0.57 0.00 0.00 179.45 177.69 1x51 h ALA 68 N -1.13 0.56 -0.21 3.86 0.00 -1.40 -2.55 119.26 118.40 1x51 h ALA 68 Ca -0.11 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.36 1x51 h ALA 68 Cb 0.96 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1x51 h ALA 68 CO 0.12 0.68 -0.27 1.25 0.00 0.00 0.00 179.25 181.03 1x51 h LEU 69 N 0.63 -0.86 0.01 0.00 5.85 -1.06 -2.55 115.31 117.33 1x51 h LEU 69 Ca 0.02 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1x51 h LEU 69 Cb 1.09 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1x51 h LEU 69 CO 0.11 -0.31 -0.00 -0.07 -0.34 0.00 0.00 178.44 177.83 1x51 h LEU 70 N -0.30 -0.01 -0.80 2.25 3.38 -1.24 -3.02 115.31 115.57 1x51 h LEU 70 Ca 0.12 -0.21 0.19 0.00 0.09 0.00 0.00 57.88 58.07 1x51 h LEU 70 Cb 0.49 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.09 1x51 h LEU 70 CO -0.38 0.20 -0.10 0.00 0.09 0.00 0.00 178.44 178.26 1x51 n GLN 71 N -4.99 -0.07 0.30 1.13 1.13 -0.96 -0.21 117.38 113.71 1x51 n GLN 71 Ca -0.08 1.22 -0.15 0.00 -1.94 0.00 0.00 57.00 56.06 1x51 n GLN 71 Cb 0.13 -1.88 -0.07 0.00 0.11 0.00 0.00 30.24 28.53 1x51 n GLN 71 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1x51 h GLU 72 N 0.00 -0.76 -0.98 -1.09 4.57 -1.39 -3.16 114.58 111.76 1x51 h GLU 72 Ca 0.43 0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.81 1x51 h GLU 72 Cb 0.78 0.17 -0.15 0.00 -0.16 0.00 0.00 28.75 29.39 1x51 h GLU 72 CO -0.79 -0.45 -0.41 -0.07 -1.18 0.00 0.00 179.01 176.11 1x51 h LEU 73 N -1.07 -1.52 -1.20 1.64 3.38 -0.46 1.05 115.31 117.13 1x51 h LEU 73 Ca -0.08 0.31 0.27 0.00 0.09 0.00 0.00 57.88 58.47 1x51 h LEU 73 Cb 0.66 0.78 -0.11 0.00 0.09 0.00 0.00 40.66 42.08 1x51 h LEU 73 CO 0.13 -0.28 0.64 1.56 0.09 0.00 0.00 178.44 180.58 1x51 h GLN 74 N -0.01 0.44 -0.56 1.13 4.20 -1.23 0.56 115.11 119.65 1x51 h GLN 74 Ca 0.32 -0.03 0.14 0.00 0.06 0.00 0.00 58.65 59.14 1x51 h GLN 74 Cb 0.57 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1x51 h GLN 74 CO -0.97 0.29 0.39 0.00 -0.67 0.00 0.00 178.83 177.87 1x51 h ARG 75 N 0.46 0.14 0.00 1.46 2.47 0.12 -1.81 114.38 117.21 1x51 h ARG 75 Ca 0.63 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.35 1x51 h ARG 75 Cb 1.45 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.74 1x51 h ARG 75 CO -0.39 0.09 0.00 0.91 0.56 0.00 0.00 179.97 181.14 1x51 n TRP 76 N -4.42 0.00 0.00 3.04 7.02 0.19 -4.84 117.44 118.44 1x51 n TRP 76 Ca 0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 1x51 n TRP 76 Cb 0.53 -0.23 0.00 0.00 -2.42 0.00 0.00 31.31 29.19 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 -1.97 -0.09 0.00 6.99 0.00 -0.81 -4.18 120.51 120.44 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 1.37 -0.26 3.59 0.00 0.00 -0.68 -4.90 105.19 104.31 1x51 n GLY 78 Ca 0.00 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 3.27 -0.13 1.61 0.04 -1.26 -4.21 135.00 134.32 1x51 s PRO 79 Ca 0.00 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.25 1x51 s PRO 79 Cb 0.00 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1x51 s PRO 79 CO 0.00 -1.94 -0.22 -0.51 0.04 0.00 0.00 177.00 174.37 1x51 s LEU 80 N 6.95 2.16 0.00 -3.56 2.01 -1.26 -4.97 118.68 120.01 1x51 s LEU 80 Ca 0.74 -0.57 -0.20 0.00 0.01 0.00 0.00 54.13 54.11 1x51 s LEU 80 Cb -0.19 -1.45 0.29 0.00 0.01 0.00 0.00 46.19 44.85 1x51 s LEU 80 CO 0.31 0.11 1.05 -0.81 1.01 0.00 0.00 176.35 178.02 1x51 n PRO 81 N 3.87 -3.07 0.00 1.29 -0.04 -1.26 -5.07 135.00 130.72 1x51 n PRO 81 Ca -0.20 -1.68 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 1x51 n PRO 81 Cb 0.52 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 -4.80 2.75 -0.17 0.55 0.00 -1.26 -4.78 120.51 112.80 1x51 n ALA 82 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 1x51 n ALA 82 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.06 1x51 n ALA 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1x51 h THR 83 N 0.00 0.48 -1.31 0.00 2.02 -2.04 0.29 112.91 112.35 1x51 h THR 83 Ca 0.00 -0.00 0.46 0.00 0.77 0.00 0.00 66.41 67.63 1x51 h THR 83 Cb 0.00 0.48 -0.14 0.00 -1.74 0.00 0.00 68.15 66.75 1x51 h THR 83 CO 0.00 0.00 0.84 1.41 0.37 0.00 0.00 175.52 178.14 1x51 n HIS 84 N -5.36 0.69 -1.92 3.16 -0.00 -1.26 -4.32 115.22 106.21 1x51 n HIS 84 Ca 0.05 0.70 -0.42 0.00 -0.00 0.00 0.00 57.72 58.05 1x51 n HIS 84 Cb 0.28 -1.13 -0.03 0.00 -0.00 0.00 0.00 29.99 29.11 1x51 n HIS 84 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1x51 s LEU 85 N -9.31 4.37 -0.24 2.41 2.96 0.09 -4.83 118.68 114.13 1x51 s LEU 85 Ca -0.07 2.58 -0.03 0.00 -0.22 0.00 0.00 54.13 56.39 1x51 s LEU 85 Cb 0.30 -3.58 0.11 0.00 0.50 0.00 0.00 46.19 43.51 1x51 s LEU 85 CO 0.78 -0.85 0.24 -0.13 -1.32 0.00 0.00 176.35 175.07 1x51 s ARG 86 N 1.68 0.24 -0.02 1.98 0.52 -1.23 -5.04 118.95 117.08 1x51 s ARG 86 Ca 0.72 -0.01 -0.40 0.00 -0.52 0.00 0.00 55.73 55.52 1x51 s ARG 86 Cb -0.43 -1.01 -0.19 0.00 0.52 0.00 0.00 34.95 33.84 1x51 s ARG 86 CO 0.32 -0.83 1.19 1.58 0.02 0.00 0.00 175.30 177.57 1x51 n HIS 87 N 5.31 0.96 -3.85 -0.53 -0.00 -1.26 -4.00 115.22 111.85 1x51 n HIS 87 Ca -0.04 0.95 -0.30 0.00 -0.00 0.00 0.00 57.72 58.33 1x51 n HIS 87 Cb 0.47 -2.17 -0.14 0.00 -0.00 0.00 0.00 29.99 28.16 1x51 n HIS 87 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1x51 s LEU 88 N 0.41 3.65 0.00 0.27 1.43 -0.92 -4.29 118.68 119.22 1x51 s LEU 88 Ca 0.91 -2.85 0.00 0.00 -1.03 0.00 0.00 54.13 51.15 1x51 s LEU 88 Cb -1.20 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 43.62 1x51 s LEU 88 CO 0.56 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.51 1x51 n GLY 89 N 3.29 -1.00 3.42 -3.19 0.00 -1.26 -4.57 105.19 101.88 1x51 n GLY 89 Ca 0.06 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.07 1.45 -0.09 1.61 1.03 -1.26 -3.27 118.70 118.11 1x51 s GLU 90 Ca 0.00 -1.47 -0.03 0.00 0.03 0.00 0.00 54.97 53.50 1x51 s GLU 90 Cb 0.00 0.38 0.04 0.00 -0.80 0.00 0.00 34.13 33.76 1x51 s GLU 90 CO 0.00 -0.56 0.09 0.08 -1.33 0.00 0.00 175.26 173.54 1x51 s VAL 91 N -3.97 -0.13 -0.25 1.83 1.01 -0.71 -4.86 120.40 113.31 1x51 s VAL 91 Ca 0.30 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 1x51 s VAL 91 Cb 0.03 -0.30 0.07 0.00 0.00 0.00 0.00 36.38 36.18 1x51 s VAL 91 CO 0.12 0.04 0.03 -0.69 0.00 0.00 0.00 175.10 174.59 1x51 s VAL 92 N 2.18 1.07 -0.46 2.92 1.01 -1.26 -0.58 120.40 125.29 1x51 s VAL 92 Ca 0.04 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 1x51 s VAL 92 Cb -0.13 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.72 1x51 s VAL 92 CO -0.05 -0.34 0.41 -2.28 0.00 0.00 0.00 175.10 172.84 1x51 s HIS 93 N 1.57 3.20 -0.69 5.22 2.46 -1.16 -4.96 115.29 120.93 1x51 s HIS 93 Ca 0.01 -0.72 -0.27 0.00 0.47 0.00 0.00 55.06 54.55 1x51 s HIS 93 Cb -0.18 -3.06 0.03 0.00 -0.13 0.00 0.00 32.58 29.24 1x51 s HIS 93 CO -0.13 -0.77 1.27 0.95 -2.47 0.00 0.00 174.74 173.60 1x51 s THR 94 N 1.87 3.79 1.21 0.89 -4.23 -1.26 -3.06 115.64 114.85 1x51 s THR 94 Ca 0.07 0.54 -0.20 0.00 -1.18 0.00 0.00 61.69 60.91 1x51 s THR 94 Cb -0.21 -4.84 0.30 0.00 1.34 0.00 0.00 72.50 69.09 1x51 s THR 94 CO 0.09 -1.69 1.13 0.49 -0.54 0.00 0.00 174.62 174.10 1x51 n PHE 95 N 9.22 -3.92 -0.01 3.99 3.72 0.43 -4.94 117.46 125.95 1x51 n PHE 95 Ca 0.05 -1.02 -0.03 0.00 -0.05 0.00 0.00 57.45 56.40 1x51 n PHE 95 Cb 0.49 -1.14 -0.02 0.00 -0.94 0.00 0.00 39.48 37.88 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 -2.63 -0.34 0.00 4.37 0.87 -2.05 -3.25 113.55 110.51 1x51 h SER 96 Ca -0.42 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1x51 h SER 96 Cb 1.26 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1x51 h SER 96 CO 0.27 -0.09 -0.41 0.00 -0.53 0.00 0.00 176.83 176.08 1x51 n HIS 97 N -3.16 0.00 -3.86 2.24 1.44 -1.26 -5.02 115.22 105.61 1x51 n HIS 97 Ca -0.01 -1.39 -0.12 0.00 -2.01 0.00 0.00 57.72 54.20 1x51 n HIS 97 Cb 0.07 -0.23 -0.11 0.00 0.12 0.00 0.00 29.99 29.85 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 -3.13 0.06 -0.15 0.61 1.01 -1.23 -4.55 121.20 113.82 1x51 s ILE 98 Ca 0.37 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1x51 s ILE 98 Cb 0.35 -0.37 0.03 0.00 0.01 0.00 0.00 42.46 42.49 1x51 s ILE 98 CO -0.05 -0.26 -0.10 -0.75 0.00 0.00 0.00 174.94 173.78 1x51 s LYS 99 N -0.92 1.86 -0.08 2.79 2.20 -0.88 0.16 119.74 124.88 1x51 s LYS 99 Ca -0.10 -0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 54.97 1x51 s LYS 99 Cb -0.06 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.23 1x51 s LYS 99 CO 0.01 -0.32 0.03 -0.51 -0.36 0.00 0.00 175.35 174.21 1x51 s LEU 100 N 1.56 3.75 -0.25 5.43 2.01 -1.17 -3.43 118.68 126.58 1x51 s LEU 100 Ca 0.03 0.20 0.02 0.00 0.01 0.00 0.00 54.13 54.38 1x51 s LEU 100 Cb -0.14 -1.91 0.06 0.00 0.01 0.00 0.00 46.19 44.21 1x51 s LEU 100 CO -0.09 0.37 -0.06 -0.89 1.01 0.00 0.00 176.35 176.69 1x51 s THR 101 N -0.95 1.77 -0.08 5.49 2.01 -0.62 -2.97 115.64 120.29 1x51 s THR 101 Ca 0.15 -1.42 -0.00 0.00 0.31 0.00 0.00 61.69 60.73 1x51 s THR 101 Cb -0.12 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 1x51 s THR 101 CO 0.04 -0.11 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.51 1x51 s TYR 102 N 1.28 3.02 -0.38 4.92 1.51 0.25 -0.65 117.35 127.30 1x51 s TYR 102 Ca -0.06 0.07 -0.12 0.00 -1.01 0.00 0.00 57.07 55.96 1x51 s TYR 102 Cb -0.19 -1.75 0.03 0.00 -0.11 0.00 0.00 41.96 39.94 1x51 s TYR 102 CO -0.06 0.37 0.23 -0.65 -1.11 0.00 0.00 175.55 174.32 1x51 s GLN 103 N -0.79 2.85 -0.01 -0.62 -1.52 -0.64 -1.74 119.66 117.19 1x51 s GLN 103 Ca 0.12 -1.07 -0.30 0.00 -1.95 0.00 0.00 55.36 52.16 1x51 s GLN 103 Cb -0.11 -3.79 -0.05 0.00 -0.22 0.00 0.00 33.01 28.84 1x51 s GLN 103 CO 0.02 -0.71 1.45 0.08 -0.25 0.00 0.00 175.29 175.87 1x51 s VAL 104 N 1.58 3.67 -0.05 1.09 1.01 -1.20 -2.05 120.40 124.45 1x51 s VAL 104 Ca 0.03 1.01 0.01 0.00 0.00 0.00 0.00 61.98 63.03 1x51 s VAL 104 Cb -0.19 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1x51 s VAL 104 CO 0.07 -0.02 -0.04 -0.31 0.00 0.00 0.00 175.10 174.80 1x51 s TYR 105 N 2.75 0.81 -0.24 5.22 2.02 -0.87 -2.17 117.35 124.87 1x51 s TYR 105 Ca 0.65 -0.25 -0.05 0.00 -0.37 0.00 0.00 57.07 57.05 1x51 s TYR 105 Cb -0.32 -0.74 -0.01 0.00 -0.40 0.00 0.00 41.96 40.49 1x51 s TYR 105 CO 0.26 -0.24 0.01 0.20 -1.57 0.00 0.00 175.55 174.22 1x51 s GLY 106 N 1.16 1.69 -0.20 0.71 0.00 -1.26 0.71 107.32 110.13 1x51 s GLY 106 Ca -0.07 -1.18 -0.03 0.00 0.00 0.00 0.00 44.72 43.44 1x51 s GLY 106 CO -0.01 0.49 0.05 -2.27 0.00 0.00 0.00 173.10 171.36 1x51 s LEU 107 N 1.53 1.09 -0.01 0.66 1.98 -0.99 -3.47 118.68 119.48 1x51 s LEU 107 Ca 0.06 -0.82 0.06 0.00 -2.89 0.00 0.00 54.13 50.54 1x51 s LEU 107 Cb -0.15 -0.55 -0.02 0.00 0.66 0.00 0.00 46.19 46.13 1x51 s LEU 107 CO 0.00 -0.32 -0.21 0.00 -1.89 0.00 0.00 176.35 173.94 1x51 s ALA 108 N 1.89 1.71 -0.68 5.97 0.00 -1.26 -1.61 121.76 127.79 1x51 s ALA 108 Ca -0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 50.79 1x51 s ALA 108 Cb -0.17 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1x51 s ALA 108 CO -0.09 0.42 1.36 -0.51 0.00 0.00 0.00 175.76 176.94 1x51 s LEU 109 N -0.54 3.24 -0.05 0.00 1.43 -0.26 -4.87 118.68 117.64 1x51 s LEU 109 Ca 0.08 -0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 1x51 s LEU 109 Cb -0.08 -2.70 -0.17 0.00 0.03 0.00 0.00 46.19 43.27 1x51 s LEU 109 CO -0.01 -1.85 0.97 -0.08 0.23 0.00 0.00 176.35 175.62 1x51 h GLU 110 N 10.74 -0.16 -0.50 1.70 4.57 -1.98 -3.38 114.58 125.56 1x51 h GLU 110 Ca -0.27 0.01 -0.28 0.00 -1.18 0.00 0.00 59.36 57.64 1x51 h GLU 110 Cb 1.07 0.04 -0.29 0.00 -0.16 0.00 0.00 28.75 29.41 1x51 h GLU 110 CO 1.25 0.32 -0.80 0.41 -1.18 0.00 0.00 179.01 179.00 1x51 n GLY 111 N 0.54 1.50 3.49 1.92 0.00 -1.26 -5.00 105.19 106.38 1x51 n GLY 111 Ca -0.08 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 1x51 n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x51 n GLN 112 N -0.41 0.77 -2.44 1.61 6.02 -1.26 -5.09 117.38 116.57 1x51 n GLN 112 Ca 0.02 -3.27 -0.42 0.00 -0.01 0.00 0.00 57.00 53.32 1x51 n GLN 112 Cb 0.83 0.52 -0.03 0.00 1.02 0.00 0.00 30.24 32.59 1x51 n GLN 112 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1x51 s THR 113 N -2.59 4.13 0.94 5.09 -4.23 -1.26 -5.02 115.64 112.70 1x51 s THR 113 Ca 0.20 1.51 -0.12 0.00 -1.18 0.00 0.00 61.69 62.10 1x51 s THR 113 Cb -0.02 -3.97 0.16 0.00 1.34 0.00 0.00 72.50 70.01 1x51 s THR 113 CO 0.13 0.09 1.09 -2.16 -0.54 0.00 0.00 174.62 173.23 1x51 s PRO 114 N 1.35 0.86 -0.22 3.99 0.04 -1.26 -4.84 135.00 134.92 1x51 s PRO 114 Ca 0.58 0.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.19 1x51 s PRO 114 Cb -0.28 -1.77 -0.19 0.00 0.04 0.00 0.00 34.50 32.30 1x51 s PRO 114 CO 0.27 -2.48 0.01 1.55 0.04 0.00 0.00 177.00 176.40 1x51 n VAL 115 N -4.03 1.59 -2.54 -0.36 3.14 -1.26 -4.96 118.33 109.91 1x51 n VAL 115 Ca 0.06 -0.38 -0.07 0.00 -2.96 0.00 0.00 64.34 60.99 1x51 n VAL 115 Cb 0.56 -1.81 -0.00 0.00 -1.06 0.00 0.00 33.84 31.53 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 -3.93 -0.32 -3.58 1.55 -2.24 -1.26 -4.85 114.28 99.66 1x51 n THR 116 Ca -0.41 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 1x51 n THR 116 Cb 0.88 -0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 1x51 n THR 116 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1x51 s THR 117 N -2.35 0.00 -0.20 4.28 -1.32 -1.26 -5.18 115.64 109.61 1x51 s THR 117 Ca 0.03 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.34 1x51 s THR 117 Cb -0.02 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.03 1x51 s THR 117 CO 0.04 0.00 0.53 0.54 -2.21 0.00 0.00 174.62 173.52 1x51 s VAL 118 N -1.32 -0.00 1.01 5.08 0.11 -1.26 -4.73 120.40 119.29 1x51 s VAL 118 Ca 0.00 0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 58.94 1x51 s VAL 118 Cb -0.01 -0.75 0.20 0.00 -1.53 0.00 0.00 36.38 34.29 1x51 s VAL 118 CO -0.00 0.01 1.09 -2.16 -3.33 0.00 0.00 175.10 170.70 1x51 s PRO 119 N 0.63 0.31 -0.18 1.54 0.04 -1.26 -4.95 135.00 131.13 1x51 s PRO 119 Ca -0.03 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.20 1x51 s PRO 119 Cb -0.05 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 1x51 s PRO 119 CO -0.04 -2.81 1.58 -1.25 0.04 0.00 0.00 177.00 174.52 1x51 s PRO 120 N -4.97 3.94 0.00 0.56 0.04 -1.26 -3.06 135.00 130.25 1x51 s PRO 120 Ca 0.66 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1x51 s PRO 120 Cb -0.19 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1x51 s PRO 120 CO 0.58 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.91 1x51 n GLY 121 N 4.40 1.16 3.90 0.56 0.00 -1.26 -5.11 105.19 108.84 1x51 n GLY 121 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.83 3.92 0.01 4.61 0.00 -1.17 -3.80 121.76 124.50 1x51 s ALA 122 Ca 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1x51 s ALA 122 Cb 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 1x51 s ALA 122 CO 0.00 0.74 -0.23 0.50 0.00 0.00 0.00 175.76 176.77 1x51 s ARG 123 N -2.28 1.79 -0.33 0.00 3.52 0.11 -4.87 118.95 116.88 1x51 s ARG 123 Ca 0.33 -0.91 0.01 0.00 -0.13 0.00 0.00 55.73 55.04 1x51 s ARG 123 Cb -0.13 -1.80 0.09 0.00 -1.56 0.00 0.00 34.95 31.55 1x51 s ARG 123 CO 0.23 0.48 0.05 -1.58 -0.81 0.00 0.00 175.30 173.67 1x51 s TRP 124 N -0.64 3.55 0.35 5.12 0.52 -1.26 -0.06 118.94 126.52 1x51 s TRP 124 Ca 0.09 -2.54 0.05 0.00 0.02 0.00 0.00 56.10 53.72 1x51 s TRP 124 Cb -0.09 -2.67 -0.07 0.00 -1.15 0.00 0.00 33.47 29.49 1x51 s TRP 124 CO 0.00 -0.92 0.04 -0.48 0.02 0.00 0.00 176.95 175.62 1x51 s LEU 125 N 1.06 2.39 0.69 2.99 0.05 -1.01 -4.96 118.68 119.88 1x51 s LEU 125 Ca 0.04 -1.37 -0.11 0.00 0.05 0.00 0.00 54.13 52.73 1x51 s LEU 125 Cb -0.20 -0.54 0.00 0.00 -2.05 0.00 0.00 46.19 43.40 1x51 s LEU 125 CO -0.05 -0.56 1.06 0.42 -0.55 0.00 0.00 176.35 176.67 1x51 s THR 126 N -3.12 3.99 0.25 5.48 -4.23 -1.26 -0.09 115.64 116.66 1x51 s THR 126 Ca 0.36 0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 61.49 1x51 s THR 126 Cb 0.09 -3.55 0.23 0.00 1.34 0.00 0.00 72.50 70.61 1x51 s THR 126 CO 0.16 -0.84 1.74 1.56 -0.54 0.00 0.00 174.62 176.69 1x51 h GLN 127 N -0.61 0.47 -0.20 3.99 4.20 -1.92 -1.30 115.11 119.74 1x51 h GLN 127 Ca -0.45 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.20 1x51 h GLN 127 Cb 1.22 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 1x51 h GLN 127 CO 0.61 0.31 0.01 0.93 -0.67 0.00 0.00 178.83 180.02 1x51 h GLU 128 N 0.49 0.35 -0.71 1.46 4.39 -1.93 -3.07 114.58 115.56 1x51 h GLU 128 Ca 0.44 -0.11 0.14 0.00 0.34 0.00 0.00 59.36 60.17 1x51 h GLU 128 Cb 0.66 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.18 1x51 h GLU 128 CO -0.40 0.54 0.20 0.93 -1.16 0.00 0.00 179.01 179.12 1x51 h GLU 129 N 0.12 0.31 -0.25 2.33 4.39 -1.63 -1.69 114.58 118.15 1x51 h GLU 129 Ca 0.06 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.80 1x51 h GLU 129 Cb 0.38 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.88 1x51 h GLU 129 CO 0.01 0.20 -0.28 0.35 -1.16 0.00 0.00 179.01 178.13 1x51 h PHE 130 N 0.32 -0.76 -0.83 4.33 3.57 -1.25 0.33 116.94 122.65 1x51 h PHE 130 Ca 0.39 0.04 0.14 0.00 3.53 0.00 0.00 57.97 62.07 1x51 h PHE 130 Cb 0.62 0.37 -0.15 0.00 2.79 0.00 0.00 35.95 39.59 1x51 h PHE 130 CO -0.23 -0.35 -0.34 0.45 -2.23 0.00 0.00 178.31 175.61 1x51 h HIS 131 N -0.29 -0.92 -0.12 0.41 3.86 -1.30 0.35 115.15 117.14 1x51 h HIS 131 Ca 0.14 0.09 -0.14 0.00 -1.16 0.00 0.00 60.37 59.30 1x51 h HIS 131 Cb 0.50 0.53 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 1x51 h HIS 131 CO -0.43 -0.39 -0.53 1.79 0.86 0.00 0.00 177.93 179.23 1x51 h THR 132 N -0.06 1.35 -2.79 2.45 1.35 -1.31 -3.45 112.91 110.45 1x51 h THR 132 Ca 0.32 -1.79 -0.59 0.00 -0.55 0.00 0.00 66.41 63.79 1x51 h THR 132 Cb 0.59 1.83 0.11 0.00 -1.73 0.00 0.00 68.15 68.95 1x51 h THR 132 CO -0.86 0.54 0.30 0.00 -0.25 0.00 0.00 175.52 175.25 1x51 n ALA 133 N -2.49 0.42 -1.54 6.62 0.00 0.12 -4.74 120.51 118.91 1x51 n ALA 133 Ca -0.02 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.51 1x51 n ALA 133 Cb 0.57 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.82 1x51 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x51 n ALA 134 N 0.39 0.61 -2.86 0.00 0.00 -1.26 -4.89 120.51 112.50 1x51 n ALA 134 Ca 0.08 -0.96 -0.19 0.00 0.00 0.00 0.00 53.44 52.36 1x51 n ALA 134 Cb 0.33 -3.01 -0.15 0.00 0.00 0.00 0.00 19.45 16.63 1x51 n ALA 134 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x51 s VAL 135 N 11.27 0.73 0.78 0.00 1.01 -1.26 -2.64 120.40 130.29 1x51 s VAL 135 Ca 1.06 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 62.55 1x51 s VAL 135 Cb -0.40 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.41 1x51 s VAL 135 CO 0.28 0.22 1.15 -0.94 0.00 0.00 0.00 175.10 175.80 1x51 s SER 136 N 0.00 4.09 0.13 3.32 1.04 -1.26 -4.73 113.70 116.29 1x51 s SER 136 Ca 0.00 2.12 -0.30 0.00 0.48 0.00 0.00 55.95 58.25 1x51 s SER 136 Cb -0.06 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.43 1x51 s SER 136 CO 0.00 -2.32 1.57 0.74 0.98 0.00 0.00 173.24 174.21 1x51 h THR 137 N -0.85 0.11 0.00 2.02 2.02 -2.01 0.91 112.91 115.11 1x51 h THR 137 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1x51 h THR 137 Cb 1.26 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1x51 h THR 137 CO 0.49 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.38 1x51 n ALA 138 N -2.96 -0.14 -0.28 6.16 0.00 -1.26 -0.47 120.51 121.57 1x51 n ALA 138 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.48 1x51 n ALA 138 Cb 0.37 0.36 0.21 0.00 0.00 0.00 0.00 19.45 20.39 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 0.15 -0.40 0.00 2.07 -1.90 0.81 114.93 115.65 1x51 h MET 139 Ca 0.00 -0.01 0.08 0.00 -2.07 0.00 0.00 59.70 57.70 1x51 h MET 139 Cb 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.68 1x51 h MET 139 CO 0.00 0.10 0.27 0.87 1.07 0.00 0.00 176.91 179.22 1x51 h LYS 140 N 0.15 0.16 -0.13 1.72 1.57 0.28 -1.53 116.57 118.79 1x51 h LYS 140 Ca 0.47 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 59.04 1x51 h LYS 140 Cb 0.88 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.17 1x51 h LYS 140 CO -0.66 0.11 -0.70 0.87 -0.57 0.00 0.00 179.45 178.50 1x51 h LYS 141 N 0.17 0.70 0.00 3.15 1.57 0.33 -3.04 116.57 119.45 1x51 h LYS 141 Ca 0.18 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1x51 h LYS 141 Cb 0.51 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1x51 h LYS 141 CO -0.03 1.19 0.24 0.28 -0.57 0.00 0.00 179.45 180.56 1x51 h VAL 142 N 0.38 0.00 0.00 0.50 2.07 -0.40 -2.77 116.25 116.04 1x51 h VAL 142 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1x51 h VAL 142 Cb 1.33 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1x51 h VAL 142 CO 0.14 0.00 0.00 0.33 0.02 0.00 0.00 177.57 178.06 1x51 n PHE 143 N -2.19 0.00 -0.71 1.57 7.35 -1.15 -3.42 117.46 118.91 1x51 n PHE 143 Ca -0.01 0.00 0.53 0.00 -0.76 0.00 0.00 57.45 57.21 1x51 n PHE 143 Cb 0.26 -0.43 0.82 0.00 0.35 0.00 0.00 39.48 40.48 1x51 n PHE 143 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 1x51 n ARG 144 N -2.03 0.00 -0.09 -4.13 1.85 -1.07 0.19 116.66 111.39 1x51 n ARG 144 Ca 0.00 1.07 -0.13 0.00 -1.00 0.00 0.00 57.85 57.79 1x51 n ARG 144 Cb 0.00 -2.48 -0.05 0.00 -1.05 0.00 0.00 32.46 28.88 1x51 n ARG 144 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1x51 h VAL 145 N 0.00 1.31 -0.23 8.89 2.07 -1.64 -3.25 116.25 123.40 1x51 h VAL 145 Ca 0.93 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1x51 h VAL 145 Cb 3.76 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 35.13 1x51 h VAL 145 CO -0.01 0.45 0.00 0.22 0.02 0.00 0.00 177.57 178.25 1x51 h TYR 146 N 0.38 0.44 -0.96 1.57 3.20 0.21 -3.20 116.97 118.60 1x51 h TYR 146 Ca 0.05 -0.07 0.14 0.00 3.14 0.00 0.00 58.73 61.98 1x51 h TYR 146 Cb 0.81 -0.11 -0.15 0.00 1.54 0.00 0.00 36.73 38.82 1x51 h TYR 146 CO 0.07 0.57 -0.41 1.04 -1.64 0.00 0.00 178.16 177.79 1x51 n GLN 147 N -4.66 -0.26 -2.48 1.82 6.02 -0.81 -2.03 117.38 114.97 1x51 n GLN 147 Ca -0.04 1.48 -0.43 0.00 -0.01 0.00 0.00 57.00 58.00 1x51 n GLN 147 Cb 0.23 -2.19 0.00 0.00 1.02 0.00 0.00 30.24 29.31 1x51 n GLN 147 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x51 n GLY 148 N -1.41 4.33 3.59 1.08 0.00 -1.21 -4.96 105.19 106.60 1x51 n GLY 148 Ca 0.08 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1x51 n GLY 148 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x51 s GLN 149 N 0.90 3.27 -0.50 1.61 -2.07 -0.86 -4.92 119.66 117.08 1x51 s GLN 149 Ca 0.41 0.94 0.04 0.00 -1.82 0.00 0.00 55.36 54.93 1x51 s GLN 149 Cb 0.06 -4.17 0.16 0.00 -1.09 0.00 0.00 33.01 27.98 1x51 s GLN 149 CO 0.00 -1.95 0.37 -1.12 -1.32 0.00 0.00 175.29 171.28 1x51 s SER 150 N 5.48 2.77 0.18 12.60 0.01 -1.26 -5.11 113.70 128.37 1x51 s SER 150 Ca 0.67 -3.23 0.00 0.00 1.31 0.00 0.00 55.95 54.69 1x51 s SER 150 Cb -0.16 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.21 1x51 s SER 150 CO 0.29 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1x51 n GLY 151 N 2.69 -0.98 3.74 3.44 0.00 -1.26 -4.79 105.19 108.03 1x51 n GLY 151 Ca 0.24 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1x51 n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x51 s PRO 152 N -1.68 1.75 -0.04 1.61 0.04 -1.26 -4.64 135.00 130.77 1x51 s PRO 152 Ca 0.00 0.99 -0.32 0.00 0.04 0.00 0.00 61.00 61.71 1x51 s PRO 152 Cb 0.00 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 1x51 s PRO 152 CO 0.00 -1.95 1.96 -1.13 0.04 0.00 0.00 177.00 175.92 1x51 n SER 153 N -3.70 3.76 -4.74 6.66 3.41 -1.26 -4.92 113.62 112.83 1x51 n SER 153 Ca 0.08 0.88 -0.31 0.00 -0.26 0.00 0.00 58.87 59.25 1x51 n SER 153 Cb 0.54 -1.45 -0.07 0.00 -0.26 0.00 0.00 64.21 62.96 1x51 n SER 153 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x51 s SER 154 N 4.63 5.38 0.00 4.04 1.04 -1.26 -5.07 113.70 122.46 1x51 s SER 154 Ca 0.92 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.34 1x51 s SER 154 Cb -0.55 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1x51 s SER 154 CO 0.46 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.51