#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 6.50 0.43 1.61 0.15 -1.26 -5.03 113.70 116.09 1x51 s SER 2 Ca 0.00 0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.78 1x51 s SER 2 Cb 0.00 -2.48 -0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1x51 s SER 2 CO 0.00 -1.16 0.63 -0.94 1.20 0.00 0.00 173.24 172.97 1x51 s SER 3 N 2.46 5.86 -0.39 5.45 1.04 -1.26 -5.08 113.70 121.78 1x51 s SER 3 Ca 0.39 0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.98 1x51 s SER 3 Cb -0.10 -1.47 0.21 0.00 0.10 0.00 0.00 66.02 64.76 1x51 s SER 3 CO 0.26 -0.64 0.99 -0.83 0.98 0.00 0.00 173.24 174.00 1x51 s GLY 4 N -4.21 -1.71 -0.21 7.32 0.00 -1.26 -5.14 107.32 102.12 1x51 s GLY 4 Ca 0.48 0.36 -0.01 0.00 0.00 0.00 0.00 44.72 45.54 1x51 s GLY 4 CO 0.36 4.12 -0.11 -0.45 0.00 0.00 0.00 173.10 177.02 1x51 s SER 5 N 1.04 3.79 -0.17 1.64 0.15 -1.26 -5.09 113.70 113.80 1x51 s SER 5 Ca 0.24 -0.56 -0.16 0.00 0.70 0.00 0.00 55.95 56.18 1x51 s SER 5 Cb 0.08 -1.62 0.05 0.00 -1.71 0.00 0.00 66.02 62.82 1x51 s SER 5 CO -0.09 -0.02 0.46 -0.55 1.20 0.00 0.00 173.24 174.23 1x51 s SER 6 N 1.38 -0.48 0.00 5.45 0.15 -1.26 -5.13 113.70 113.81 1x51 s SER 6 Ca 0.05 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1x51 s SER 6 Cb -0.14 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 1x51 s SER 6 CO -0.08 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1x51 n GLY 7 N 2.93 -1.27 0.06 9.45 0.00 -1.26 -4.99 105.19 110.11 1x51 n GLY 7 Ca -0.14 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.00 -5.67 1.61 0.13 -1.89 -3.46 132.00 122.71 1x51 h PRO 8 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 1x51 h PRO 8 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 1x51 h PRO 8 CO 0.00 0.49 -0.78 1.03 -0.23 0.00 0.00 178.00 178.50 1x51 s ARG 9 N -4.25 1.04 0.02 0.86 0.52 -1.26 -3.92 118.95 111.95 1x51 s ARG 9 Ca -0.16 -1.17 -0.34 0.00 -0.52 0.00 0.00 55.73 53.54 1x51 s ARG 9 Cb 0.02 -1.07 -0.12 0.00 0.52 0.00 0.00 34.95 34.29 1x51 s ARG 9 CO 0.67 0.23 1.78 1.63 0.02 0.00 0.00 175.30 179.63 1x51 n LYS 10 N 0.82 2.25 -2.92 3.54 5.02 -1.26 -1.70 118.16 123.91 1x51 n LYS 10 Ca -0.18 0.82 -0.10 0.00 -2.02 0.00 0.00 58.31 56.83 1x51 n LYS 10 Cb 0.55 -2.65 0.04 0.00 -0.02 0.00 0.00 35.03 32.95 1x51 n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x51 n ALA 11 N 5.52 -0.67 -2.44 7.82 0.00 -1.26 -5.04 120.51 124.44 1x51 n ALA 11 Ca 0.20 0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.49 1x51 n ALA 11 Cb 0.30 -2.49 -0.12 0.00 0.00 0.00 0.00 19.45 17.14 1x51 n ALA 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x51 s SER 12 N -3.25 3.61 -0.13 0.00 0.15 -0.69 -5.04 113.70 108.36 1x51 s SER 12 Ca 0.21 -0.61 -0.01 0.00 0.70 0.00 0.00 55.95 56.24 1x51 s SER 12 Cb -0.09 -0.42 -0.07 0.00 -1.71 0.00 0.00 66.02 63.73 1x51 s SER 12 CO 0.33 0.20 -0.13 0.54 1.20 0.00 0.00 173.24 175.38 1x51 n ARG 13 N 1.02 0.30 -2.84 5.44 5.12 -1.26 -4.85 116.66 119.58 1x51 n ARG 13 Ca -0.17 0.09 -0.32 0.00 -1.93 0.00 0.00 57.85 55.52 1x51 n ARG 13 Cb 0.53 -1.17 -0.06 0.00 -1.16 0.00 0.00 32.46 30.60 1x51 n ARG 13 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1x51 s LYS 14 N -2.24 4.05 1.01 5.56 -0.14 -1.26 -5.04 119.74 121.68 1x51 s LYS 14 Ca -0.17 0.87 -0.12 0.00 -1.36 0.00 0.00 55.97 55.19 1x51 s LYS 14 Cb 0.05 -2.27 0.19 0.00 -1.68 0.00 0.00 37.83 34.12 1x51 s LYS 14 CO 0.27 -0.02 1.09 -1.25 -0.76 0.00 0.00 175.35 174.68 1x51 s PRO 15 N -3.37 0.37 0.41 -1.68 0.04 -1.26 -4.65 135.00 124.86 1x51 s PRO 15 Ca 0.58 0.51 0.20 0.00 0.04 0.00 0.00 61.00 62.32 1x51 s PRO 15 Cb -0.10 -1.73 0.86 0.00 0.04 0.00 0.00 34.50 33.57 1x51 s PRO 15 CO 0.20 -2.77 1.82 -1.00 0.04 0.00 0.00 177.00 175.30 1x51 h PRO 16 N -1.92 0.00 -1.09 0.56 0.13 -1.96 -3.22 132.00 124.50 1x51 h PRO 16 Ca -0.55 0.00 0.41 0.00 -0.87 0.00 0.00 66.00 64.99 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 0.31 0.66 0.54 -0.23 0.00 0.00 178.00 179.86 1x51 n ARG 17 N -3.65 -0.04 -3.57 0.86 1.74 -1.26 -3.10 116.66 107.63 1x51 n ARG 17 Ca -0.01 1.18 -0.40 0.00 -0.77 0.00 0.00 57.85 57.84 1x51 n ARG 17 Cb 0.43 -2.22 -0.09 0.00 -1.02 0.00 0.00 32.46 29.56 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 -5.21 2.44 -0.15 5.56 -1.05 -1.22 -2.56 118.70 116.52 1x51 s GLU 18 Ca -0.07 -1.76 -0.04 0.00 -0.15 0.00 0.00 54.97 52.95 1x51 s GLU 18 Cb 0.29 -3.90 0.07 0.00 -0.44 0.00 0.00 34.13 30.15 1x51 s GLU 18 CO 0.72 -1.18 0.18 -1.21 0.95 0.00 0.00 175.26 174.72 1x51 s GLU 19 N 1.35 0.11 -0.03 -4.83 2.02 -1.18 -4.94 118.70 111.20 1x51 s GLU 19 Ca 0.06 0.28 0.06 0.00 0.02 0.00 0.00 54.97 55.39 1x51 s GLU 19 Cb -0.26 -0.99 -0.01 0.00 0.10 0.00 0.00 34.13 32.97 1x51 s GLU 19 CO -0.01 -0.53 -0.19 -1.12 0.02 0.00 0.00 175.26 173.43 1x51 s SER 20 N 2.28 2.31 0.08 -0.19 0.01 -1.26 -2.75 113.70 114.17 1x51 s SER 20 Ca 0.05 -0.36 -0.20 0.00 1.31 0.00 0.00 55.95 56.74 1x51 s SER 20 Cb -0.14 -0.39 0.05 0.00 0.21 0.00 0.00 66.02 65.75 1x51 s SER 20 CO -0.09 0.22 0.49 -0.44 0.41 0.00 0.00 173.24 173.82 1x51 s SER 21 N -0.30 -0.39 -0.26 2.44 0.01 -0.77 -3.08 113.70 111.35 1x51 s SER 21 Ca 0.04 0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.35 1x51 s SER 21 Cb -0.09 0.49 0.07 0.00 0.21 0.00 0.00 66.02 66.70 1x51 s SER 21 CO 0.00 -0.77 -0.05 0.00 0.41 0.00 0.00 173.24 172.83 1x51 s ALA 22 N -2.88 2.32 0.11 1.44 0.00 -1.08 -2.00 121.76 119.68 1x51 s ALA 22 Ca -0.03 -1.71 -0.04 0.00 0.00 0.00 0.00 51.96 50.18 1x51 s ALA 22 Cb -0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 1x51 s ALA 22 CO -0.05 -1.29 0.34 -0.08 0.00 0.00 0.00 175.76 174.68 1x51 s THR 23 N 1.22 5.21 0.12 0.00 -1.32 -0.86 -2.53 115.64 117.47 1x51 s THR 23 Ca -0.04 0.01 0.08 0.00 -1.21 0.00 0.00 61.69 60.53 1x51 s THR 23 Cb -0.19 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.14 1x51 s THR 23 CO -0.07 0.10 -0.21 0.00 -2.21 0.00 0.00 174.62 172.23 1x51 s VAL 25 N -1.36 5.01 -0.50 0.00 1.01 0.11 -4.45 120.40 120.23 1x51 s VAL 25 Ca 0.09 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1x51 s VAL 25 Cb -0.09 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.72 1x51 s VAL 25 CO 0.05 -0.09 0.48 -0.22 0.00 0.00 0.00 175.10 175.32 1x51 s LEU 26 N 1.66 5.57 -0.00 3.92 2.96 -1.25 -1.39 118.68 130.15 1x51 s LEU 26 Ca 0.05 -1.33 0.06 0.00 -0.22 0.00 0.00 54.13 52.70 1x51 s LEU 26 Cb -0.18 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 1x51 s LEU 26 CO 0.09 -0.77 -0.19 -0.70 -1.32 0.00 0.00 176.35 173.46 1x51 s GLU 27 N 1.92 2.20 0.06 1.98 2.12 -0.78 -1.40 118.70 124.79 1x51 s GLU 27 Ca 0.07 -0.89 0.05 0.00 0.36 0.00 0.00 54.97 54.56 1x51 s GLU 27 Cb -0.24 -2.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 1x51 s GLU 27 CO 0.07 0.57 -0.14 -0.65 -0.54 0.00 0.00 175.26 174.57 1x51 s GLN 28 N -1.01 0.89 -0.06 4.30 -0.21 -0.63 -2.09 119.66 120.85 1x51 s GLN 28 Ca 0.12 -0.86 -0.30 0.00 0.02 0.00 0.00 55.36 54.35 1x51 s GLN 28 Cb -0.10 -0.90 -0.05 0.00 1.00 0.00 0.00 33.01 32.96 1x51 s GLN 28 CO 0.02 0.21 1.50 -1.25 -2.12 0.00 0.00 175.29 173.65 1x51 s PRO 29 N -1.43 4.22 0.42 2.91 0.04 -1.26 -2.60 135.00 137.29 1x51 s PRO 29 Ca 0.00 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.13 1x51 s PRO 29 Cb -0.09 -3.82 -0.05 0.00 0.04 0.00 0.00 34.50 30.57 1x51 s PRO 29 CO 0.02 -0.75 0.16 0.20 0.04 0.00 0.00 177.00 176.67 1x51 s GLY 30 N 2.64 2.38 0.07 0.56 0.00 -0.03 -4.97 107.32 107.97 1x51 s GLY 30 Ca 0.67 -2.09 -0.26 0.00 0.00 0.00 0.00 44.72 43.03 1x51 s GLY 30 CO 0.25 -1.95 1.66 0.00 0.00 0.00 0.00 173.10 173.06 1x51 h ALA 31 N 1.46 -0.28 -0.32 3.20 0.00 -1.98 -3.12 119.26 118.22 1x51 h ALA 31 Ca -0.43 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 1x51 h ALA 31 Cb 1.25 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1x51 h ALA 31 CO 0.71 -0.64 -0.22 -0.07 0.00 0.00 0.00 179.25 179.04 1x51 h LEU 32 N -0.32 0.74 0.00 0.00 3.38 -2.02 -3.48 115.31 113.61 1x51 h LEU 32 Ca -0.03 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1x51 h LEU 32 Cb 0.25 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1x51 h LEU 32 CO 0.05 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.20 1x51 n GLY 33 N 0.04 -1.79 3.30 0.83 0.00 -1.18 -5.17 105.19 101.22 1x51 n GLY 33 Ca -0.03 0.75 -0.09 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.00 -0.16 -0.16 4.61 0.00 -1.26 -0.85 121.76 122.94 1x51 s ALA 34 Ca 0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 1x51 s ALA 34 Cb 0.00 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.90 1x51 s ALA 34 CO 0.00 -0.61 0.41 -0.65 0.00 0.00 0.00 175.76 174.91 1x51 s GLN 35 N -3.92 0.47 0.52 0.00 1.11 -1.07 -4.43 119.66 112.34 1x51 s GLN 35 Ca 0.12 0.61 0.09 0.00 0.01 0.00 0.00 55.36 56.19 1x51 s GLN 35 Cb 0.04 0.19 0.06 0.00 -1.01 0.00 0.00 33.01 32.29 1x51 s GLN 35 CO -0.04 -0.07 0.69 0.96 0.01 0.00 0.00 175.29 176.84 1x51 s ILE 36 N 0.41 2.40 -0.03 1.08 -4.36 0.12 -1.60 121.20 119.21 1x51 s ILE 36 Ca -0.02 -1.03 0.01 0.00 -0.26 0.00 0.00 60.65 59.35 1x51 s ILE 36 Cb -0.04 -2.43 -0.03 0.00 1.25 0.00 0.00 42.46 41.21 1x51 s ILE 36 CO -0.02 0.00 -0.03 -0.22 0.24 0.00 0.00 174.94 174.92 1x51 s LEU 37 N -4.53 3.39 -0.01 0.37 2.96 -0.49 -2.29 118.68 118.08 1x51 s LEU 37 Ca 0.58 -0.00 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 1x51 s LEU 37 Cb -0.07 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.75 1x51 s LEU 37 CO 0.36 0.32 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.44 1x51 s LEU 38 N -1.25 1.85 -0.01 -0.68 2.96 -0.17 -4.65 118.68 116.73 1x51 s LEU 38 Ca 0.16 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1x51 s LEU 38 Cb -0.11 -0.27 -0.01 0.00 0.50 0.00 0.00 46.19 46.30 1x51 s LEU 38 CO 0.06 0.03 -0.11 0.68 -1.32 0.00 0.00 176.35 175.69 1x51 s VAL 39 N 0.11 0.91 0.68 1.68 -7.23 0.12 -0.23 120.40 116.43 1x51 s VAL 39 Ca -0.01 -0.49 -0.14 0.00 -1.81 0.00 0.00 61.98 59.54 1x51 s VAL 39 Cb -0.04 -0.77 0.01 0.00 0.56 0.00 0.00 36.38 36.14 1x51 s VAL 39 CO -0.00 0.26 1.10 -1.58 -0.31 0.00 0.00 175.10 174.57 1x51 s GLN 40 N -0.22 2.75 0.22 4.82 0.74 -1.17 0.03 119.66 126.83 1x51 s GLN 40 Ca 0.04 1.31 -0.03 0.00 0.05 0.00 0.00 55.36 56.72 1x51 s GLN 40 Cb -0.05 -1.95 -0.05 0.00 1.10 0.00 0.00 33.01 32.06 1x51 s GLN 40 CO -0.00 -1.28 0.44 1.03 -0.55 0.00 0.00 175.29 174.93 1x51 s ARG 41 N -4.30 3.57 0.78 1.67 1.81 -0.73 -4.83 118.95 116.92 1x51 s ARG 41 Ca 0.65 -0.19 -0.11 0.00 -1.72 0.00 0.00 55.73 54.37 1x51 s ARG 41 Cb -0.19 -2.77 0.06 0.00 -0.45 0.00 0.00 34.95 31.60 1x51 s ARG 41 CO 0.45 0.35 1.09 -1.25 -0.68 0.00 0.00 175.30 175.25 1x51 s PRO 42 N -3.30 2.19 -0.95 3.54 0.04 -1.26 -3.58 135.00 131.68 1x51 s PRO 42 Ca 0.41 1.14 -0.24 0.00 0.04 0.00 0.00 61.00 62.35 1x51 s PRO 42 Cb -0.11 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1x51 s PRO 42 CO 0.29 -1.68 1.84 0.54 0.04 0.00 0.00 177.00 178.03 1x51 s ASN 43 N -3.40 5.44 -0.30 6.66 4.22 -1.26 -4.36 114.94 121.94 1x51 s ASN 43 Ca 0.61 -0.94 -0.16 0.00 -2.14 0.00 0.00 52.86 50.23 1x51 s ASN 43 Cb -0.17 -2.56 0.18 0.00 1.28 0.00 0.00 41.25 39.97 1x51 s ASN 43 CO 0.56 -2.49 1.10 -0.44 -2.04 0.00 0.00 177.10 173.79 1x51 s SER 44 N 7.24 -0.36 0.00 3.54 0.01 -1.26 -4.89 113.70 117.98 1x51 s SER 44 Ca 0.65 0.52 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1x51 s SER 44 Cb -0.05 1.32 0.00 0.00 0.21 0.00 0.00 66.02 67.50 1x51 s SER 44 CO -0.01 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1x51 n GLY 45 N 4.29 -1.13 3.64 3.44 0.00 -1.25 -4.78 105.19 109.40 1x51 n GLY 45 Ca -0.12 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 1x51 n GLY 45 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1x51 n LEU 46 N -1.58 3.46 -3.72 0.99 -0.00 -1.26 -3.35 117.00 111.54 1x51 n LEU 46 Ca 0.00 0.53 -0.22 0.00 -0.00 0.00 0.00 56.01 56.32 1x51 n LEU 46 Cb 0.00 -1.45 0.03 0.00 -0.00 0.00 0.00 43.42 42.00 1x51 n LEU 46 CO 0.00 -2.10 -0.08 0.18 -0.00 0.00 0.00 177.39 175.39 1x51 n LEU 47 N -3.07 -3.04 -4.80 1.47 4.32 -1.26 -4.95 117.00 105.67 1x51 n LEU 47 Ca 0.12 -0.83 -0.39 0.00 -0.02 0.00 0.00 56.01 54.89 1x51 n LEU 47 Cb 0.51 -2.63 -0.06 0.00 -1.62 0.00 0.00 43.42 39.62 1x51 n LEU 47 CO 0.49 0.41 0.34 0.00 -1.22 0.00 0.00 177.39 177.40 1x51 s ALA 48 N -3.69 3.54 0.00 -1.18 0.00 -1.21 -4.36 121.76 114.85 1x51 s ALA 48 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1x51 s ALA 48 Cb -0.00 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1x51 s ALA 48 CO 0.82 0.35 0.00 0.41 0.00 0.00 0.00 175.76 177.34 1x51 n GLY 49 N 1.73 0.62 3.31 0.00 0.00 -1.23 -5.02 105.19 104.59 1x51 n GLY 49 Ca -0.09 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.96 2.30 -0.46 0.99 2.01 -1.26 -4.85 118.68 116.45 1x51 s LEU 50 Ca 0.00 -0.69 -0.29 0.00 0.01 0.00 0.00 54.13 53.16 1x51 s LEU 50 Cb 0.00 -0.96 0.01 0.00 0.01 0.00 0.00 46.19 45.25 1x51 s LEU 50 CO 0.00 0.09 1.39 0.26 1.01 0.00 0.00 176.35 179.10 1x51 s TRP 51 N -1.12 2.40 0.14 0.29 0.52 -1.21 -1.78 118.94 118.18 1x51 s TRP 51 Ca 0.08 0.63 0.04 0.00 0.02 0.00 0.00 56.10 56.86 1x51 s TRP 51 Cb -0.10 -4.35 -0.04 0.00 -1.15 0.00 0.00 33.47 27.83 1x51 s TRP 51 CO 0.04 -1.91 -0.08 -1.21 0.02 0.00 0.00 176.95 173.81 1x51 s GLU 52 N 5.06 1.01 0.46 4.98 0.41 0.10 -4.46 118.70 126.28 1x51 s GLU 52 Ca 0.58 -1.43 -0.23 0.00 -0.41 0.00 0.00 54.97 53.47 1x51 s GLU 52 Cb -0.12 -0.50 -0.07 0.00 -1.78 0.00 0.00 34.13 31.66 1x51 s GLU 52 CO 0.31 0.04 1.23 -0.06 -0.49 0.00 0.00 175.26 176.28 1x51 s PHE 53 N -3.42 2.75 0.30 1.61 0.08 -1.26 0.12 117.98 118.16 1x51 s PHE 53 Ca 0.16 1.48 -0.29 0.00 0.12 0.00 0.00 56.93 58.40 1x51 s PHE 53 Cb 0.04 -3.53 -0.10 0.00 -0.57 0.00 0.00 43.02 38.86 1x51 s PHE 53 CO -0.00 -1.90 1.23 -1.25 -0.10 0.00 0.00 175.22 173.19 1x51 s PRO 54 N -2.62 4.46 0.25 0.24 0.04 -1.26 -4.84 135.00 131.27 1x51 s PRO 54 Ca 0.64 2.06 -0.06 0.00 0.04 0.00 0.00 61.00 63.67 1x51 s PRO 54 Cb -0.33 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 1x51 s PRO 54 CO 0.41 -0.05 0.35 -1.54 0.04 0.00 0.00 177.00 176.21 1x51 s SER 55 N -0.58 0.26 0.42 6.66 1.04 -1.26 -2.49 113.70 117.75 1x51 s SER 55 Ca 0.48 -1.22 0.04 0.00 0.48 0.00 0.00 55.95 55.72 1x51 s SER 55 Cb -0.37 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1x51 s SER 55 CO 0.48 -1.07 0.13 0.68 0.98 0.00 0.00 173.24 174.43 1x51 s VAL 56 N -3.85 0.61 0.49 5.02 -7.23 -1.05 -4.96 120.40 109.42 1x51 s VAL 56 Ca 0.30 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.24 1x51 s VAL 56 Cb 0.02 -2.30 -0.06 0.00 0.56 0.00 0.00 36.38 34.59 1x51 s VAL 56 CO 0.13 0.00 1.27 0.28 -0.31 0.00 0.00 175.10 176.47 1x51 s THR 57 N -3.17 2.57 0.74 5.32 -1.32 -1.26 -2.62 115.64 115.91 1x51 s THR 57 Ca 0.22 0.44 -0.15 0.00 -1.21 0.00 0.00 61.69 60.98 1x51 s THR 57 Cb 0.02 -3.23 0.01 0.00 -1.51 0.00 0.00 72.50 67.79 1x51 s THR 57 CO 0.14 0.01 0.94 1.87 -2.21 0.00 0.00 174.62 175.36 1x51 n TRP 58 N -0.63 0.53 -3.90 9.09 -0.00 -1.18 -4.66 117.44 116.69 1x51 n TRP 58 Ca 0.08 0.38 -0.16 0.00 -0.00 0.00 0.00 57.50 57.80 1x51 n TRP 58 Cb 0.46 -2.06 -0.16 0.00 -0.00 0.00 0.00 31.31 29.55 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 -3.41 0.23 0.38 5.87 0.41 -1.26 -5.00 118.70 115.92 1x51 s GLU 59 Ca 0.72 0.08 0.17 0.00 -0.41 0.00 0.00 54.97 55.54 1x51 s GLU 59 Cb -0.33 -0.42 0.76 0.00 -1.78 0.00 0.00 34.13 32.37 1x51 s GLU 59 CO 0.52 -0.13 1.79 -1.00 -0.49 0.00 0.00 175.26 175.95 1x51 h PRO 60 N 7.18 0.00 -6.26 0.39 0.13 -1.98 -3.44 132.00 128.02 1x51 h PRO 60 Ca -0.43 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.14 1x51 h PRO 60 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1x51 h PRO 60 CO 0.48 0.37 -0.25 -1.12 -0.23 0.00 0.00 178.00 177.25 1x51 s SER 61 N -6.59 6.53 0.24 1.44 0.01 -1.26 -5.00 113.70 109.07 1x51 s SER 61 Ca -0.01 0.69 -0.00 0.00 1.31 0.00 0.00 55.95 57.93 1x51 s SER 61 Cb 0.12 -2.13 0.27 0.00 0.21 0.00 0.00 66.02 64.50 1x51 s SER 61 CO 0.69 0.00 1.63 -0.08 0.41 0.00 0.00 173.24 175.90 1x51 h GLU 62 N 2.68 0.54 0.08 12.44 4.81 -2.01 -2.97 114.58 130.14 1x51 h GLU 62 Ca -0.46 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 58.51 1x51 h GLU 62 Cb 1.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1x51 h GLU 62 CO 0.71 0.82 -0.04 0.37 -0.73 0.00 0.00 179.01 180.14 1x51 h GLN 63 N 0.45 -0.10 -0.99 1.92 5.75 -1.96 -3.28 115.11 116.90 1x51 h GLN 63 Ca 0.05 0.01 0.35 0.00 -0.15 0.00 0.00 58.65 58.90 1x51 h GLN 63 Cb 0.83 0.02 -0.17 0.00 1.07 0.00 0.00 27.48 29.23 1x51 h GLN 63 CO 0.07 0.16 0.35 -0.07 -2.65 0.00 0.00 178.83 176.70 1x51 h LEU 64 N -1.00 0.06 0.19 -2.39 4.07 -1.96 0.41 115.31 114.69 1x51 h LEU 64 Ca -0.01 0.25 0.01 0.00 0.08 0.00 0.00 57.88 58.21 1x51 h LEU 64 Cb 0.31 0.33 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 1x51 h LEU 64 CO 0.02 -0.36 -0.23 -0.61 -1.08 0.00 0.00 178.44 176.19 1x51 h GLN 65 N 0.06 -0.45 -0.13 1.13 -0.00 -1.63 -1.48 115.11 112.62 1x51 h GLN 65 Ca 0.73 0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 59.33 1x51 h GLN 65 Cb 1.77 0.10 -0.01 0.00 0.00 0.00 0.00 27.48 29.34 1x51 h GLN 65 CO -0.79 -0.30 -0.30 0.00 0.00 0.00 0.00 178.83 177.44 1x51 h ARG 66 N -0.46 0.24 0.43 1.69 3.08 -0.46 0.76 114.38 119.66 1x51 h ARG 66 Ca 0.01 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1x51 h ARG 66 Cb 0.45 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1x51 h ARG 66 CO -0.08 0.52 -0.29 0.87 -1.07 0.00 0.00 179.97 179.92 1x51 h LYS 67 N 0.21 -0.67 -0.02 0.04 1.57 0.10 -3.08 116.57 114.72 1x51 h LYS 67 Ca 0.03 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1x51 h LYS 67 Cb 0.64 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1x51 h LYS 67 CO 0.05 -0.45 -0.14 0.00 -0.57 0.00 0.00 179.45 178.34 1x51 h ALA 68 N -0.19 0.04 -0.93 3.86 0.00 -1.25 -3.08 119.26 117.71 1x51 h ALA 68 Ca -0.04 -0.39 0.33 0.00 0.00 0.00 0.00 54.91 54.80 1x51 h ALA 68 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 1x51 h ALA 68 CO 0.03 -0.01 0.59 -0.11 0.00 0.00 0.00 179.25 179.75 1x51 n LEU 69 N -4.62 0.15 0.00 0.00 7.94 0.26 0.20 117.00 120.93 1x51 n LEU 69 Ca -0.09 0.97 -0.21 0.00 -1.11 0.00 0.00 56.01 55.57 1x51 n LEU 69 Cb 0.42 -0.48 -0.14 0.00 0.53 0.00 0.00 43.42 43.75 1x51 n LEU 69 CO 0.37 -1.06 -0.37 -0.07 -1.11 0.00 0.00 177.39 175.15 1x51 h LEU 70 N 0.00 0.35 -1.86 -1.96 3.38 -1.57 -3.24 115.31 110.41 1x51 h LEU 70 Ca 0.61 -0.84 0.53 0.00 0.09 0.00 0.00 57.88 58.26 1x51 h LEU 70 Cb 1.93 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 42.48 1x51 h LEU 70 CO -0.34 1.57 1.26 0.06 0.09 0.00 0.00 178.44 181.08 1x51 h GLN 71 N -0.37 0.01 0.00 1.13 3.07 0.23 0.14 115.11 119.31 1x51 h GLN 71 Ca -0.29 -0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.38 1x51 h GLN 71 Cb 1.70 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.25 1x51 h GLN 71 CO 0.05 0.01 -0.51 1.49 0.09 0.00 0.00 178.83 179.95 1x51 h GLU 72 N 0.01 0.00 -0.82 0.06 4.81 -1.57 -3.34 114.58 113.73 1x51 h GLU 72 Ca 0.89 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 60.27 1x51 h GLU 72 Cb 3.43 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 32.66 1x51 h GLU 72 CO -0.11 0.56 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.35 1x51 h LEU 73 N -1.00 -1.12 -0.85 1.64 3.38 -0.80 0.46 115.31 117.02 1x51 h LEU 73 Ca -0.11 0.27 0.18 0.00 0.09 0.00 0.00 57.88 58.31 1x51 h LEU 73 Cb 0.78 0.62 -0.11 0.00 0.09 0.00 0.00 40.66 42.04 1x51 h LEU 73 CO -0.07 -0.29 0.37 1.56 0.09 0.00 0.00 178.44 180.10 1x51 h GLN 74 N -0.05 0.44 -0.34 1.13 4.20 -1.38 0.53 115.11 119.64 1x51 h GLN 74 Ca 0.34 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.12 1x51 h GLN 74 Cb 0.59 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1x51 h GLN 74 CO -0.86 0.29 0.30 0.00 -0.67 0.00 0.00 178.83 177.90 1x51 h ARG 75 N 0.45 0.00 0.00 1.46 3.08 -0.20 -1.81 114.38 117.36 1x51 h ARG 75 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1x51 h ARG 75 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1x51 h ARG 75 CO -0.47 0.00 -0.05 0.91 -1.07 0.00 0.00 179.97 179.29 1x51 n TRP 76 N -4.04 0.08 0.00 3.04 7.02 0.17 -4.86 117.44 118.85 1x51 n TRP 76 Ca 0.05 0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 1x51 n TRP 76 Cb 0.47 -0.28 0.00 0.00 -2.42 0.00 0.00 31.31 29.08 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 -2.39 -0.01 0.00 6.99 0.00 -0.29 -4.38 120.51 120.42 1x51 n ALA 77 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1x51 n ALA 77 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 2.05 -0.69 3.63 0.00 0.00 -0.68 -4.81 105.19 104.69 1x51 n GLY 78 Ca 0.00 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 3.84 -0.08 1.61 0.04 -1.26 -4.10 135.00 135.05 1x51 s PRO 79 Ca 0.00 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.75 1x51 s PRO 79 Cb 0.00 -4.02 0.02 0.00 0.04 0.00 0.00 34.50 30.54 1x51 s PRO 79 CO 0.00 -1.24 -0.12 -0.51 0.04 0.00 0.00 177.00 175.17 1x51 s LEU 80 N 5.04 1.59 0.00 -3.56 2.01 -1.26 -5.01 118.68 117.49 1x51 s LEU 80 Ca 0.71 -0.32 -0.06 0.00 0.01 0.00 0.00 54.13 54.46 1x51 s LEU 80 Cb -0.25 -0.88 0.09 0.00 0.01 0.00 0.00 46.19 45.16 1x51 s LEU 80 CO 0.29 0.01 0.33 -0.81 1.01 0.00 0.00 176.35 177.17 1x51 n PRO 81 N 4.05 -1.67 0.06 1.29 -0.04 -1.26 -5.06 135.00 132.38 1x51 n PRO 81 Ca -0.21 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1x51 n PRO 81 Cb 0.51 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 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 -3.56 3.00 0.30 0.55 0.00 -1.26 -4.73 120.51 114.80 1x51 n ALA 82 Ca -0.06 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.56 1x51 n ALA 82 Cb 0.18 0.15 1.00 0.00 0.00 0.00 0.00 19.45 20.77 1x51 n ALA 82 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1x51 h THR 83 N 0.00 0.32 -0.20 0.00 1.35 -2.03 -1.43 112.91 110.92 1x51 h THR 83 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.66 1x51 h THR 83 Cb 0.17 0.96 0.01 0.00 -1.73 0.00 0.00 68.15 67.55 1x51 h THR 83 CO 0.00 0.00 -0.67 0.45 -0.25 0.00 0.00 175.52 175.05 1x51 h HIS 84 N 0.00 1.07 -2.42 4.73 -0.00 -1.97 -3.44 115.15 113.11 1x51 h HIS 84 Ca 0.01 -0.43 -0.55 0.00 -0.00 0.00 0.00 60.37 59.39 1x51 h HIS 84 Cb 0.11 -0.18 0.05 0.00 -0.00 0.00 0.00 27.41 27.39 1x51 h HIS 84 CO 0.00 1.26 0.95 -0.11 -0.00 0.00 0.00 177.93 180.03 1x51 n LEU 85 N -3.99 3.60 -3.72 2.43 7.94 -0.54 -4.83 117.00 117.88 1x51 n LEU 85 Ca -0.06 1.05 -0.13 0.00 -1.11 0.00 0.00 56.01 55.76 1x51 n LEU 85 Cb 0.69 -1.49 -0.14 0.00 0.53 0.00 0.00 43.42 43.01 1x51 n LEU 85 CO 0.52 -0.03 -0.16 -0.13 -1.11 0.00 0.00 177.39 176.48 1x51 s ARG 86 N 1.53 0.16 -0.06 1.96 0.52 -1.14 -5.02 118.95 116.91 1x51 s ARG 86 Ca 0.79 0.52 -0.30 0.00 -0.52 0.00 0.00 55.73 56.22 1x51 s ARG 86 Cb -0.59 -0.14 -0.05 0.00 0.52 0.00 0.00 34.95 34.70 1x51 s ARG 86 CO 0.37 -0.19 1.47 -1.58 0.02 0.00 0.00 175.30 175.39 1x51 s HIS 87 N 1.45 2.51 -0.43 -0.53 5.65 -1.26 -2.63 115.29 120.05 1x51 s HIS 87 Ca -0.07 0.61 0.03 0.00 0.25 0.00 0.00 55.06 55.88 1x51 s HIS 87 Cb -0.11 -3.73 0.12 0.00 -1.18 0.00 0.00 32.58 27.68 1x51 s HIS 87 CO -0.08 -2.85 0.17 -0.51 -0.65 0.00 0.00 174.74 170.83 1x51 s LEU 88 N 3.26 4.14 0.00 8.88 1.43 -1.06 -4.98 118.68 130.36 1x51 s LEU 88 Ca 0.66 -2.57 0.00 0.00 -1.03 0.00 0.00 54.13 51.19 1x51 s LEU 88 Cb -0.30 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1x51 s LEU 88 CO 0.25 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.14 1x51 n GLY 89 N 3.68 -1.64 3.36 -3.19 0.00 -1.26 -4.38 105.19 101.76 1x51 n GLY 89 Ca 0.05 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.47 1.40 -0.20 1.61 -1.05 -1.26 -3.68 118.70 115.05 1x51 s GLU 90 Ca 0.00 -1.53 -0.04 0.00 -0.15 0.00 0.00 54.97 53.25 1x51 s GLU 90 Cb 0.00 0.35 0.08 0.00 -0.44 0.00 0.00 34.13 34.13 1x51 s GLU 90 CO 0.00 -0.52 0.18 0.08 0.95 0.00 0.00 175.26 175.95 1x51 s VAL 91 N -3.99 -0.24 -0.27 1.83 1.01 -0.06 -4.86 120.40 113.82 1x51 s VAL 91 Ca 0.33 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1x51 s VAL 91 Cb 0.04 -0.67 0.06 0.00 0.00 0.00 0.00 36.38 35.81 1x51 s VAL 91 CO 0.12 -0.26 -0.09 -0.69 0.00 0.00 0.00 175.10 174.19 1x51 s VAL 92 N 2.26 2.09 -0.34 2.92 1.01 -1.26 0.29 120.40 127.38 1x51 s VAL 92 Ca 0.05 -1.66 -0.12 0.00 0.00 0.00 0.00 61.98 60.26 1x51 s VAL 92 Cb -0.16 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1x51 s VAL 92 CO -0.13 -0.10 0.22 -2.28 0.00 0.00 0.00 175.10 172.81 1x51 s HIS 93 N 1.12 3.22 -0.46 5.22 2.46 -0.88 -4.99 115.29 120.98 1x51 s HIS 93 Ca -0.06 -0.33 -0.24 0.00 0.47 0.00 0.00 55.06 54.90 1x51 s HIS 93 Cb -0.20 -2.45 0.03 0.00 -0.13 0.00 0.00 32.58 29.83 1x51 s HIS 93 CO -0.06 -0.40 0.84 0.95 -2.47 0.00 0.00 174.74 173.60 1x51 s THR 94 N 1.69 4.58 0.87 0.89 -4.23 -1.26 -2.10 115.64 116.08 1x51 s THR 94 Ca 0.06 0.52 -0.12 0.00 -1.18 0.00 0.00 61.69 60.96 1x51 s THR 94 Cb -0.17 -4.37 0.15 0.00 1.34 0.00 0.00 72.50 69.45 1x51 s THR 94 CO 0.09 -0.77 1.22 -0.36 -0.54 0.00 0.00 174.62 174.26 1x51 s PHE 95 N 3.47 2.02 0.00 3.99 0.08 0.22 -4.98 117.98 122.78 1x51 s PHE 95 Ca 0.32 0.35 0.00 0.00 0.12 0.00 0.00 56.93 57.72 1x51 s PHE 95 Cb -0.11 -3.75 0.00 0.00 -0.57 0.00 0.00 43.02 38.59 1x51 s PHE 95 CO 0.24 -2.21 0.74 0.43 -0.10 0.00 0.00 175.22 174.31 1x51 n SER 96 N -3.46 0.00 -0.88 1.36 7.64 -1.26 -3.38 113.62 113.63 1x51 n SER 96 Ca 0.13 0.74 0.03 0.00 1.01 0.00 0.00 58.87 60.78 1x51 n SER 96 Cb 0.60 -0.24 0.21 0.00 -1.01 0.00 0.00 64.21 63.78 1x51 n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x51 n HIS 97 N -1.78 0.83 -4.00 1.43 -0.00 -1.26 -4.99 115.22 105.44 1x51 n HIS 97 Ca 0.00 -1.25 -0.09 0.00 -0.00 0.00 0.00 57.72 56.38 1x51 n HIS 97 Cb 0.00 -0.37 -0.11 0.00 -0.00 0.00 0.00 29.99 29.51 1x51 n HIS 97 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1x51 s ILE 98 N -3.05 0.16 -0.16 0.61 1.01 -1.22 -4.53 121.20 114.03 1x51 s ILE 98 Ca 0.42 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1x51 s ILE 98 Cb 0.36 -0.37 0.03 0.00 0.01 0.00 0.00 42.46 42.49 1x51 s ILE 98 CO 0.03 -0.52 -0.12 -0.75 0.00 0.00 0.00 174.94 173.58 1x51 s LYS 99 N -1.62 2.12 -0.07 2.79 2.20 -1.06 0.73 119.74 124.83 1x51 s LYS 99 Ca -0.14 -0.64 -0.00 0.00 -0.36 0.00 0.00 55.97 54.83 1x51 s LYS 99 Cb -0.09 -2.18 -0.03 0.00 -1.51 0.00 0.00 37.83 34.02 1x51 s LYS 99 CO -0.01 -0.31 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.12 1x51 s LEU 100 N 1.48 3.37 -0.24 5.43 2.01 -0.89 -3.62 118.68 126.21 1x51 s LEU 100 Ca 0.03 0.05 -0.01 0.00 0.01 0.00 0.00 54.13 54.20 1x51 s LEU 100 Cb -0.14 -1.77 0.07 0.00 0.01 0.00 0.00 46.19 44.36 1x51 s LEU 100 CO -0.10 0.36 0.02 -0.89 1.01 0.00 0.00 176.35 176.75 1x51 s THR 101 N -0.87 1.05 -0.14 5.49 2.01 -1.11 -2.07 115.64 120.00 1x51 s THR 101 Ca 0.13 -1.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 1x51 s THR 101 Cb -0.11 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1x51 s THR 101 CO 0.03 -0.29 0.01 -0.31 -0.69 0.00 0.00 174.62 173.37 1x51 s TYR 102 N 1.59 3.16 -0.30 4.92 1.51 0.15 -1.85 117.35 126.53 1x51 s TYR 102 Ca 0.00 0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 55.96 1x51 s TYR 102 Cb -0.18 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1x51 s TYR 102 CO -0.11 0.23 0.20 -0.65 -1.11 0.00 0.00 175.55 174.11 1x51 s GLN 103 N -0.14 3.75 -0.13 -0.62 -1.52 -0.84 -0.89 119.66 119.27 1x51 s GLN 103 Ca 0.05 -0.46 -0.29 0.00 -1.95 0.00 0.00 55.36 52.70 1x51 s GLN 103 Cb -0.13 -3.69 -0.02 0.00 -0.22 0.00 0.00 33.01 28.96 1x51 s GLN 103 CO 0.02 -0.28 1.24 0.08 -0.25 0.00 0.00 175.29 176.10 1x51 s VAL 104 N 1.73 4.26 -0.24 1.09 1.01 -1.24 -2.04 120.40 124.98 1x51 s VAL 104 Ca 0.07 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.58 1x51 s VAL 104 Cb -0.16 -4.00 0.07 0.00 0.00 0.00 0.00 36.38 32.29 1x51 s VAL 104 CO 0.10 -0.09 0.04 -0.31 0.00 0.00 0.00 175.10 174.84 1x51 s TYR 105 N 3.06 1.49 0.37 5.22 2.02 -0.83 -2.57 117.35 126.11 1x51 s TYR 105 Ca 0.55 -1.30 -0.24 0.00 -0.37 0.00 0.00 57.07 55.71 1x51 s TYR 105 Cb -0.23 -1.34 -0.10 0.00 -0.40 0.00 0.00 41.96 39.89 1x51 s TYR 105 CO 0.17 -0.73 0.96 0.20 -1.57 0.00 0.00 175.55 174.58 1x51 s GLY 106 N 1.70 2.63 -0.30 0.71 0.00 -1.08 0.09 107.32 111.08 1x51 s GLY 106 Ca 0.02 0.49 -0.10 0.00 0.00 0.00 0.00 44.72 45.13 1x51 s GLY 106 CO -0.13 0.87 0.83 -2.27 0.00 0.00 0.00 173.10 172.40 1x51 s LEU 107 N -2.56 -0.87 0.06 0.66 1.98 -0.48 -2.89 118.68 114.58 1x51 s LEU 107 Ca 0.56 0.89 0.01 0.00 -2.89 0.00 0.00 54.13 52.70 1x51 s LEU 107 Cb -0.15 1.87 -0.03 0.00 0.66 0.00 0.00 46.19 48.54 1x51 s LEU 107 CO 0.20 -0.17 -0.06 0.00 -1.89 0.00 0.00 176.35 174.43 1x51 s ALA 108 N 2.75 0.68 -0.59 5.97 0.00 -1.26 -1.87 121.76 127.44 1x51 s ALA 108 Ca 0.03 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 1x51 s ALA 108 Cb -0.10 0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.23 1x51 s ALA 108 CO -0.17 -0.17 0.77 -0.51 0.00 0.00 0.00 175.76 175.67 1x51 s LEU 109 N -2.34 4.96 -0.01 0.00 1.43 -0.89 -4.91 118.68 116.93 1x51 s LEU 109 Ca 0.00 -1.14 -0.24 0.00 -1.03 0.00 0.00 54.13 51.72 1x51 s LEU 109 Cb -0.01 -2.40 -0.19 0.00 0.03 0.00 0.00 46.19 43.62 1x51 s LEU 109 CO -0.03 -1.16 1.26 -0.08 0.23 0.00 0.00 176.35 176.57 1x51 h GLU 110 N 9.25 0.11 -0.10 1.70 4.81 -2.00 -3.38 114.58 124.98 1x51 h GLU 110 Ca -0.29 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 58.68 1x51 h GLU 110 Cb 1.08 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.27 1x51 h GLU 110 CO 1.09 0.60 -0.44 0.41 -0.73 0.00 0.00 179.01 179.94 1x51 n GLY 111 N 0.30 1.85 2.44 1.92 0.00 -1.26 -4.99 105.19 105.45 1x51 n GLY 111 Ca -0.08 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.17 0.83 -2.36 1.61 6.02 -1.26 -5.08 117.38 115.97 1x51 n GLN 112 Ca -0.10 -2.04 -0.41 0.00 -0.01 0.00 0.00 57.00 54.44 1x51 n GLN 112 Cb 0.86 -0.02 -0.03 0.00 1.02 0.00 0.00 30.24 32.07 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 -1.42 3.43 0.96 5.09 -4.23 -1.26 -5.02 115.64 113.18 1x51 s THR 113 Ca 0.32 1.28 -0.12 0.00 -1.18 0.00 0.00 61.69 61.99 1x51 s THR 113 Cb -0.03 -3.82 0.16 0.00 1.34 0.00 0.00 72.50 70.16 1x51 s THR 113 CO 0.20 0.24 1.09 -2.16 -0.54 0.00 0.00 174.62 173.46 1x51 s PRO 114 N -0.73 0.78 -0.25 3.99 0.04 -1.26 -4.93 135.00 132.65 1x51 s PRO 114 Ca 0.50 0.65 -0.03 0.00 0.04 0.00 0.00 61.00 62.15 1x51 s PRO 114 Cb -0.33 -1.77 -0.17 0.00 0.04 0.00 0.00 34.50 32.27 1x51 s PRO 114 CO 0.40 -2.53 -0.18 1.55 0.04 0.00 0.00 177.00 176.28 1x51 n VAL 115 N -4.05 1.53 -4.43 -0.36 3.14 -1.26 -4.93 118.33 107.97 1x51 n VAL 115 Ca 0.06 -0.52 -0.40 0.00 -2.96 0.00 0.00 64.34 60.52 1x51 n VAL 115 Cb 0.56 -1.58 -0.08 0.00 -1.06 0.00 0.00 33.84 31.68 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 -3.55 -0.14 -3.52 1.55 -2.24 -1.26 -4.86 114.28 100.27 1x51 n THR 116 Ca -0.46 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 1x51 n THR 116 Cb 0.96 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 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 -3.34 0.00 -0.29 4.28 -1.32 -1.26 -5.18 115.64 108.52 1x51 s THR 117 Ca 0.70 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.96 1x51 s THR 117 Cb -0.41 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 69.76 1x51 s THR 117 CO 0.99 0.00 1.27 0.54 -2.21 0.00 0.00 174.62 175.21 1x51 s VAL 118 N -2.25 0.00 1.02 5.08 0.11 -1.26 -4.77 120.40 118.33 1x51 s VAL 118 Ca -0.00 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.92 1x51 s VAL 118 Cb -0.01 -1.00 0.20 0.00 -1.53 0.00 0.00 36.38 34.04 1x51 s VAL 118 CO -0.03 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.67 1x51 s PRO 119 N 0.51 0.27 0.00 1.54 0.04 -1.26 -4.90 135.00 131.20 1x51 s PRO 119 Ca 0.00 0.48 0.13 0.00 0.04 0.00 0.00 61.00 61.65 1x51 s PRO 119 Cb -0.04 -1.72 0.75 0.00 0.04 0.00 0.00 34.50 33.53 1x51 s PRO 119 CO -0.12 -2.83 1.18 -0.35 0.04 0.00 0.00 177.00 174.92 1x51 n PRO 120 N -4.24 0.49 -0.22 0.56 -0.04 -1.26 -2.18 135.00 128.11 1x51 n PRO 120 Ca 0.05 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.57 1x51 n PRO 120 Cb 0.57 -1.40 0.16 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.02 3.58 3.04 0.55 0.00 -1.26 -5.00 105.19 106.08 1x51 n GLY 121 Ca 0.09 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.92 -0.19 0.04 4.61 0.00 -0.93 -3.05 121.76 120.32 1x51 s ALA 122 Ca 0.27 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1x51 s ALA 122 Cb 0.20 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1x51 s ALA 122 CO 0.08 -0.15 -0.07 -0.98 0.00 0.00 0.00 175.76 174.64 1x51 s ARG 123 N -1.02 0.49 -0.31 0.00 1.70 0.67 -4.66 118.95 115.83 1x51 s ARG 123 Ca -0.11 -0.70 -0.06 0.00 -0.47 0.00 0.00 55.73 54.39 1x51 s ARG 123 Cb -0.06 -0.24 0.02 0.00 -0.57 0.00 0.00 34.95 34.09 1x51 s ARG 123 CO 0.00 0.04 0.07 -1.58 -1.08 0.00 0.00 175.30 172.76 1x51 s TRP 124 N -1.30 3.18 0.29 5.89 0.52 -1.26 -1.00 118.94 125.26 1x51 s TRP 124 Ca -0.10 -1.20 0.03 0.00 0.02 0.00 0.00 56.10 54.85 1x51 s TRP 124 Cb -0.09 -2.24 -0.06 0.00 -1.15 0.00 0.00 33.47 29.93 1x51 s TRP 124 CO 0.00 -0.65 0.08 -0.48 0.02 0.00 0.00 176.95 175.92 1x51 s LEU 125 N 1.45 1.93 0.61 2.99 0.05 -0.97 -4.97 118.68 119.77 1x51 s LEU 125 Ca 0.01 -1.38 -0.11 0.00 0.05 0.00 0.00 54.13 52.70 1x51 s LEU 125 Cb -0.18 -0.20 -0.04 0.00 -2.05 0.00 0.00 46.19 43.72 1x51 s LEU 125 CO 0.02 -0.66 1.02 0.42 -0.55 0.00 0.00 176.35 176.59 1x51 s THR 126 N -3.50 4.71 0.34 5.48 -4.23 -1.26 0.11 115.64 117.28 1x51 s THR 126 Ca 0.37 0.87 0.07 0.00 -1.18 0.00 0.00 61.69 61.83 1x51 s THR 126 Cb 0.08 -3.86 0.31 0.00 1.34 0.00 0.00 72.50 70.38 1x51 s THR 126 CO 0.15 -1.11 1.87 1.56 -0.54 0.00 0.00 174.62 176.55 1x51 h GLN 127 N -0.22 0.73 0.02 3.99 4.20 -1.93 -1.62 115.11 120.28 1x51 h GLN 127 Ca -0.44 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.22 1x51 h GLN 127 Cb 1.19 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1x51 h GLN 127 CO 0.62 0.48 -0.01 0.93 -0.67 0.00 0.00 178.83 180.18 1x51 h GLU 128 N 0.75 -0.03 -0.88 1.46 3.07 -1.94 -2.90 114.58 114.11 1x51 h GLU 128 Ca 0.44 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.46 1x51 h GLU 128 Cb 0.64 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.48 1x51 h GLU 128 CO -0.21 0.36 0.57 0.93 -1.40 0.00 0.00 179.01 179.27 1x51 h GLU 129 N -0.43 0.60 0.35 2.33 5.08 -1.76 -2.05 114.58 118.70 1x51 h GLU 129 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1x51 h GLU 129 Cb 0.41 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1x51 h GLU 129 CO 0.01 0.40 -0.17 0.35 -1.00 0.00 0.00 179.01 178.59 1x51 h PHE 130 N 0.62 -0.44 -1.00 4.33 3.04 -1.23 -0.53 116.94 121.73 1x51 h PHE 130 Ca 0.45 -0.01 0.24 0.00 3.98 0.00 0.00 57.97 62.63 1x51 h PHE 130 Cb 0.82 0.15 -0.19 0.00 2.56 0.00 0.00 35.95 39.29 1x51 h PHE 130 CO -0.00 -0.20 -0.10 0.45 -2.02 0.00 0.00 178.31 176.43 1x51 h HIS 131 N -0.59 -0.27 -0.08 0.41 3.86 -1.17 0.64 115.15 117.95 1x51 h HIS 131 Ca -0.05 0.08 -0.22 0.00 -1.16 0.00 0.00 60.37 59.02 1x51 h HIS 131 Cb 0.43 0.28 0.01 0.00 1.06 0.00 0.00 27.41 29.19 1x51 h HIS 131 CO -0.02 -0.44 -0.84 1.79 0.86 0.00 0.00 177.93 179.28 1x51 h THR 132 N 0.00 1.33 -2.51 2.45 1.35 -1.48 -3.46 112.91 110.60 1x51 h THR 132 Ca 0.55 -2.16 -0.60 0.00 -0.55 0.00 0.00 66.41 63.64 1x51 h THR 132 Cb 1.01 2.17 0.14 0.00 -1.73 0.00 0.00 68.15 69.74 1x51 h THR 132 CO -0.98 0.66 -0.30 0.00 -0.25 0.00 0.00 175.52 174.66 1x51 n ALA 133 N -2.57 -1.18 -1.84 6.62 0.00 0.22 -4.77 120.51 117.00 1x51 n ALA 133 Ca -0.07 0.16 -0.38 0.00 0.00 0.00 0.00 53.44 53.16 1x51 n ALA 133 Cb 0.77 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 1x51 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x51 s ALA 134 N -1.45 1.99 0.05 0.00 0.00 -1.26 -4.93 121.76 116.16 1x51 s ALA 134 Ca 0.64 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.29 1x51 s ALA 134 Cb -0.59 -4.31 -0.03 0.00 0.00 0.00 0.00 23.12 18.20 1x51 s ALA 134 CO 0.57 -4.05 -0.07 0.08 0.00 0.00 0.00 175.76 172.29 1x51 s VAL 135 N 10.22 0.52 0.88 0.00 1.01 -1.26 -3.35 120.40 128.43 1x51 s VAL 135 Ca 0.80 -1.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1x51 s VAL 135 Cb -0.15 -0.81 0.12 0.00 0.00 0.00 0.00 36.38 35.55 1x51 s VAL 135 CO 0.24 -0.50 1.11 -0.55 0.00 0.00 0.00 175.10 175.40 1x51 s SER 136 N -1.88 3.37 0.12 3.32 0.15 -1.26 -4.78 113.70 112.73 1x51 s SER 136 Ca -0.06 1.93 -0.29 0.00 0.70 0.00 0.00 55.95 58.24 1x51 s SER 136 Cb -0.07 -2.49 -0.08 0.00 -1.71 0.00 0.00 66.02 61.68 1x51 s SER 136 CO -0.01 -2.77 1.61 0.74 1.20 0.00 0.00 173.24 174.01 1x51 h THR 137 N -1.64 0.28 0.05 6.45 2.02 -2.01 -0.88 112.91 117.17 1x51 h THR 137 Ca -0.45 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.74 1x51 h THR 137 Cb 1.26 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1x51 h THR 137 CO 0.47 0.00 -0.34 0.00 0.37 0.00 0.00 175.52 176.02 1x51 h ALA 138 N 0.08 -0.82 -1.12 6.16 0.00 -1.96 0.36 119.26 121.95 1x51 h ALA 138 Ca 0.04 -0.07 0.32 0.00 0.00 0.00 0.00 54.91 55.20 1x51 h ALA 138 Cb 0.60 0.75 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 1x51 h ALA 138 CO -0.22 -0.91 0.72 0.52 0.00 0.00 0.00 179.25 179.36 1x51 h MET 139 N -0.46 0.28 -0.15 0.00 2.07 -1.91 1.48 114.93 116.24 1x51 h MET 139 Ca -0.00 -0.02 -0.12 0.00 -2.07 0.00 0.00 59.70 57.50 1x51 h MET 139 Cb 0.47 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.14 1x51 h MET 139 CO -0.20 0.19 -0.36 0.87 1.07 0.00 0.00 176.91 178.48 1x51 h LYS 140 N 0.29 0.51 -0.00 1.72 1.57 0.23 -3.07 116.57 117.83 1x51 h LYS 140 Ca 0.67 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1x51 h LYS 140 Cb 1.85 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.21 1x51 h LYS 140 CO -0.36 0.96 -0.05 0.36 -0.57 0.00 0.00 179.45 179.79 1x51 n LYS 141 N -4.32 0.05 0.18 3.15 2.85 0.11 -3.25 118.16 116.92 1x51 n LYS 141 Ca -0.07 -0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.25 1x51 n LYS 141 Cb 0.51 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.56 1x51 n LYS 141 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1x51 h VAL 142 N 0.01 0.63 0.07 0.58 2.07 0.19 -3.31 116.25 116.50 1x51 h VAL 142 Ca 0.00 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 1x51 h VAL 142 Cb 0.48 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1x51 h VAL 142 CO 0.00 0.33 -0.03 0.15 0.02 0.00 0.00 177.57 178.04 1x51 h PHE 143 N 0.00 -0.09 -1.52 1.57 3.57 -1.56 -3.06 116.94 115.86 1x51 h PHE 143 Ca -0.00 -0.00 0.44 0.00 3.53 0.00 0.00 57.97 61.93 1x51 h PHE 143 Cb 1.14 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.85 1x51 h PHE 143 CO 0.00 -0.05 1.25 2.89 -2.23 0.00 0.00 178.31 180.16 1x51 n ARG 144 N -3.09 0.00 0.03 1.11 1.85 -1.26 0.24 116.66 115.55 1x51 n ARG 144 Ca -0.01 0.97 -0.19 0.00 -1.00 0.00 0.00 57.85 57.62 1x51 n ARG 144 Cb 0.04 -2.31 -0.12 0.00 -1.05 0.00 0.00 32.46 29.02 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 1.37 0.42 8.89 2.07 -1.64 -2.44 116.25 124.92 1x51 h VAL 145 Ca 0.72 -2.24 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 1x51 h VAL 145 Cb 3.21 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 35.60 1x51 h VAL 145 CO -0.01 0.67 -0.25 0.22 0.02 0.00 0.00 177.57 178.22 1x51 h TYR 146 N 0.07 -0.65 -0.76 1.57 3.20 0.32 -2.91 116.97 117.82 1x51 h TYR 146 Ca -0.12 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 1x51 h TYR 146 Cb 1.56 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 40.02 1x51 h TYR 146 CO 0.14 -0.38 0.45 1.96 -1.64 0.00 0.00 178.16 178.68 1x51 h GLN 147 N -0.63 1.04 -0.70 1.82 1.08 -1.58 -3.08 115.11 113.06 1x51 h GLN 147 Ca -0.05 -0.10 0.11 0.00 -1.45 0.00 0.00 58.65 57.16 1x51 h GLN 147 Cb 0.51 -0.21 -0.12 0.00 -0.05 0.00 0.00 27.48 27.61 1x51 h GLN 147 CO 0.06 0.74 -0.26 0.41 -0.95 0.00 0.00 178.83 178.83 1x51 n GLY 148 N -1.16 -1.39 2.35 3.46 0.00 -0.92 0.19 105.19 107.72 1x51 n GLY 148 Ca 0.07 0.78 -0.30 0.00 0.00 0.00 0.00 46.02 46.57 1x51 n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x51 n GLN 149 N -5.05 2.42 -3.27 1.61 1.13 -1.16 -4.80 117.38 108.26 1x51 n GLN 149 Ca 0.08 -2.72 0.03 0.00 -1.94 0.00 0.00 57.00 52.44 1x51 n GLN 149 Cb 0.29 -2.08 -0.04 0.00 0.11 0.00 0.00 30.24 28.52 1x51 n GLN 149 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1x51 s SER 150 N -0.82 -0.31 -0.01 1.08 0.15 0.52 -5.05 113.70 109.27 1x51 s SER 150 Ca 0.53 0.41 -0.28 0.00 0.70 0.00 0.00 55.95 57.30 1x51 s SER 150 Cb 0.41 1.34 0.10 0.00 -1.71 0.00 0.00 66.02 66.16 1x51 s SER 150 CO -0.12 -0.06 0.83 -0.83 1.20 0.00 0.00 173.24 174.27 1x51 s GLY 151 N 2.28 -0.47 0.44 9.45 0.00 -1.26 -4.63 107.32 113.13 1x51 s GLY 151 Ca -0.01 1.12 -0.07 0.00 0.00 0.00 0.00 44.72 45.76 1x51 s GLY 151 CO -0.16 0.49 0.39 -1.55 0.00 0.00 0.00 173.10 172.27 1x51 n PRO 152 N 0.02 -1.79 -2.63 2.90 -0.04 -1.26 -4.93 135.00 127.27 1x51 n PRO 152 Ca -0.12 -0.63 -0.42 0.00 -0.04 0.00 0.00 63.50 62.29 1x51 n PRO 152 Cb 0.61 -0.59 -0.03 0.00 -0.04 0.00 0.00 33.50 33.45 1x51 n PRO 152 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x51 s SER 153 N -2.57 6.37 0.31 3.54 0.15 -1.26 -5.01 113.70 115.24 1x51 s SER 153 Ca 0.26 -0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.89 1x51 s SER 153 Cb -0.03 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 1x51 s SER 153 CO 0.20 -1.49 0.21 -0.94 1.20 0.00 0.00 173.24 172.41 1x51 s SER 154 N 3.08 5.13 0.00 5.45 1.04 -1.26 -5.37 113.70 121.77 1x51 s SER 154 Ca 0.39 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1x51 s SER 154 Cb -0.09 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 65.03 1x51 s SER 154 CO 0.22 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.82