#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 6.52 -1.70 1.61 0.15 -1.26 -4.11 113.70 114.91 1x51 s SER 2 Ca 0.00 0.18 -0.13 0.00 0.70 0.00 0.00 55.95 56.69 1x51 s SER 2 Cb 0.00 -2.50 0.13 0.00 -1.71 0.00 0.00 66.02 61.94 1x51 s SER 2 CO 0.00 -1.20 0.45 -0.24 1.20 0.00 0.00 173.24 173.45 1x51 n SER 3 N 7.60 -1.19 -3.05 5.45 2.88 -1.26 -4.86 113.62 119.19 1x51 n SER 3 Ca 0.08 -1.18 -0.24 0.00 -1.33 0.00 0.00 58.87 56.20 1x51 n SER 3 Cb 0.49 -2.01 -0.04 0.00 -0.75 0.00 0.00 64.21 61.90 1x51 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x51 n GLY 4 N -1.67 4.80 3.34 0.46 0.00 -1.26 -5.10 105.19 105.76 1x51 n GLY 4 Ca -0.06 -2.36 -0.30 0.00 0.00 0.00 0.00 46.02 43.30 1x51 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x51 s SER 5 N -3.02 -0.63 -0.29 1.61 0.01 -1.26 -4.11 113.70 106.02 1x51 s SER 5 Ca 0.45 1.06 -0.14 0.00 1.31 0.00 0.00 55.95 58.63 1x51 s SER 5 Cb 0.30 -1.57 0.09 0.00 0.21 0.00 0.00 66.02 65.05 1x51 s SER 5 CO -0.11 -5.13 0.68 -0.94 0.41 0.00 0.00 173.24 168.15 1x51 s SER 6 N -2.90 -1.00 0.00 2.44 1.04 -1.26 -4.97 113.70 107.06 1x51 s SER 6 Ca 0.69 1.53 0.00 0.00 0.48 0.00 0.00 55.95 58.64 1x51 s SER 6 Cb -0.17 1.63 0.00 0.00 0.10 0.00 0.00 66.02 67.58 1x51 s SER 6 CO 0.60 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.20 1x51 n GLY 7 N 4.61 0.15 0.00 7.32 0.00 -1.26 -4.87 105.19 111.14 1x51 n GLY 7 Ca -0.18 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.06 1.61 -0.04 -1.26 -2.69 135.00 133.05 1x51 n PRO 8 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1x51 n PRO 8 Cb 0.00 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 31.89 1x51 n PRO 8 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x51 n ARG 9 N -0.95 0.64 -0.00 0.54 0.63 -1.26 -3.90 116.66 112.37 1x51 n ARG 9 Ca 0.11 0.44 -0.11 0.00 -0.92 0.00 0.00 57.85 57.37 1x51 n ARG 9 Cb 0.05 -1.73 -0.09 0.00 0.45 0.00 0.00 32.46 31.14 1x51 n ARG 9 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1x51 h LYS 10 N -0.57 -0.10 -0.63 -0.14 3.11 -1.88 -3.35 116.57 113.02 1x51 h LYS 10 Ca -0.39 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.53 1x51 h LYS 10 Cb 1.61 0.02 -0.10 0.00 -1.00 0.00 0.00 32.23 32.76 1x51 h LYS 10 CO -0.10 0.47 -0.53 0.00 -2.81 0.00 0.00 179.45 176.48 1x51 h ALA 11 N -0.15 -0.57 -2.97 5.00 0.00 -1.74 -3.45 119.26 115.37 1x51 h ALA 11 Ca -0.01 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1x51 h ALA 11 Cb 0.61 1.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 1x51 h ALA 11 CO 0.02 -0.96 0.17 -1.12 0.00 0.00 0.00 179.25 177.36 1x51 s SER 12 N -5.21 -0.13 -0.13 0.00 0.01 -1.25 -5.02 113.70 101.96 1x51 s SER 12 Ca -0.14 -0.82 0.04 0.00 1.31 0.00 0.00 55.95 56.35 1x51 s SER 12 Cb 0.11 0.73 0.32 0.00 0.21 0.00 0.00 66.02 67.39 1x51 s SER 12 CO 0.63 -1.39 1.17 0.54 0.41 0.00 0.00 173.24 174.60 1x51 n ARG 13 N -0.47 2.21 -3.79 12.44 1.74 -1.26 -4.06 116.66 123.47 1x51 n ARG 13 Ca -0.04 -1.30 -0.29 0.00 -0.77 0.00 0.00 57.85 55.44 1x51 n ARG 13 Cb 0.60 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 30.30 1x51 n ARG 13 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1x51 s LYS 14 N -1.60 3.51 1.00 5.56 -0.14 -1.26 -5.10 119.74 121.70 1x51 s LYS 14 Ca 0.23 -0.35 -0.12 0.00 -1.36 0.00 0.00 55.97 54.37 1x51 s LYS 14 Cb 0.19 -2.92 0.19 0.00 -1.68 0.00 0.00 37.83 33.61 1x51 s LYS 14 CO 0.06 0.49 1.09 -1.25 -0.76 0.00 0.00 175.35 174.98 1x51 s PRO 15 N -2.94 0.41 0.43 -1.68 0.04 -1.26 -4.78 135.00 125.22 1x51 s PRO 15 Ca 0.37 0.52 0.22 0.00 0.04 0.00 0.00 61.00 62.15 1x51 s PRO 15 Cb -0.12 -1.74 0.94 0.00 0.04 0.00 0.00 34.50 33.62 1x51 s PRO 15 CO 0.28 -2.74 1.85 -1.00 0.04 0.00 0.00 177.00 175.42 1x51 h PRO 16 N -1.90 0.00 -0.91 0.56 0.13 -1.95 -3.30 132.00 124.64 1x51 h PRO 16 Ca -0.55 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.67 1x51 h PRO 16 Cb 1.33 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.35 1x51 h PRO 16 CO 0.57 0.27 -0.51 0.54 -0.23 0.00 0.00 178.00 178.64 1x51 n ARG 17 N -3.57 -0.37 -3.20 0.86 1.74 -1.26 -3.36 116.66 107.50 1x51 n ARG 17 Ca -0.01 1.37 -0.45 0.00 -0.77 0.00 0.00 57.85 57.99 1x51 n ARG 17 Cb 0.41 -2.02 -0.05 0.00 -1.02 0.00 0.00 32.46 29.78 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 -5.51 3.02 -0.13 5.56 2.02 -1.24 -1.83 118.70 120.60 1x51 s GLU 18 Ca -0.11 -1.48 -0.04 0.00 0.02 0.00 0.00 54.97 53.37 1x51 s GLU 18 Cb 0.11 -4.28 0.05 0.00 0.10 0.00 0.00 34.13 30.11 1x51 s GLU 18 CO 0.57 -1.44 0.07 -1.21 0.02 0.00 0.00 175.26 173.28 1x51 s GLU 19 N 2.21 0.10 0.07 1.61 0.41 -1.21 -4.89 118.70 117.00 1x51 s GLU 19 Ca 0.08 0.04 0.07 0.00 -0.41 0.00 0.00 54.97 54.75 1x51 s GLU 19 Cb -0.27 -1.42 -0.04 0.00 -1.78 0.00 0.00 34.13 30.63 1x51 s GLU 19 CO 0.05 -0.55 -0.15 -1.12 -0.49 0.00 0.00 175.26 173.00 1x51 s SER 20 N 2.12 4.05 0.02 -0.19 0.01 -1.26 -1.87 113.70 116.57 1x51 s SER 20 Ca 0.03 -0.42 -0.22 0.00 1.31 0.00 0.00 55.95 56.65 1x51 s SER 20 Cb -0.15 -0.70 0.05 0.00 0.21 0.00 0.00 66.02 65.43 1x51 s SER 20 CO -0.07 0.22 0.49 -0.44 0.41 0.00 0.00 173.24 173.86 1x51 s SER 21 N -1.78 -0.41 -0.28 2.44 0.01 -0.20 -3.32 113.70 110.16 1x51 s SER 21 Ca 0.17 0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.66 1x51 s SER 21 Cb -0.11 0.46 0.06 0.00 0.21 0.00 0.00 66.02 66.64 1x51 s SER 21 CO 0.09 -0.64 -0.05 0.00 0.41 0.00 0.00 173.24 173.04 1x51 s ALA 22 N -2.04 2.70 -0.11 1.44 0.00 -0.93 -1.84 121.76 120.97 1x51 s ALA 22 Ca -0.08 -1.81 -0.05 0.00 0.00 0.00 0.00 51.96 50.02 1x51 s ALA 22 Cb -0.01 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 1x51 s ALA 22 CO 0.01 -1.26 0.08 -0.08 0.00 0.00 0.00 175.76 174.51 1x51 s THR 23 N 1.16 5.00 0.27 0.00 -1.32 -0.99 -2.26 115.64 117.50 1x51 s THR 23 Ca -0.06 0.02 0.11 0.00 -1.21 0.00 0.00 61.69 60.55 1x51 s THR 23 Cb -0.20 -3.16 -0.05 0.00 -1.51 0.00 0.00 72.50 67.59 1x51 s THR 23 CO -0.03 0.61 -0.16 0.00 -2.21 0.00 0.00 174.62 172.82 1x51 s VAL 25 N -2.38 3.64 -0.08 0.00 1.01 0.19 -4.39 120.40 118.39 1x51 s VAL 25 Ca 0.29 -3.28 -0.30 0.00 0.00 0.00 0.00 61.98 58.70 1x51 s VAL 25 Cb -0.06 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1x51 s VAL 25 CO 0.16 -0.92 1.33 -0.22 0.00 0.00 0.00 175.10 175.45 1x51 s LEU 26 N -0.44 4.26 0.14 3.92 2.96 -1.25 -2.37 118.68 125.90 1x51 s LEU 26 Ca 0.19 1.89 0.08 0.00 -0.22 0.00 0.00 54.13 56.08 1x51 s LEU 26 Cb -0.17 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1x51 s LEU 26 CO -0.05 -0.73 -0.18 -0.70 -1.32 0.00 0.00 176.35 173.37 1x51 s GLU 27 N 2.98 1.17 0.03 1.98 2.12 0.23 -1.83 118.70 125.39 1x51 s GLU 27 Ca 0.60 -1.31 0.01 0.00 0.36 0.00 0.00 54.97 54.62 1x51 s GLU 27 Cb -0.26 -1.22 -0.02 0.00 0.26 0.00 0.00 34.13 32.88 1x51 s GLU 27 CO 0.21 0.25 -0.05 1.14 -0.54 0.00 0.00 175.26 176.28 1x51 s GLN 28 N -2.59 0.41 -0.07 4.30 -2.07 -0.82 -1.27 119.66 117.54 1x51 s GLN 28 Ca 0.12 -0.70 -0.30 0.00 -1.82 0.00 0.00 55.36 52.66 1x51 s GLN 28 Cb -0.06 -0.02 -0.05 0.00 -1.09 0.00 0.00 33.01 31.79 1x51 s GLN 28 CO 0.05 -0.02 1.50 -1.25 -1.32 0.00 0.00 175.29 174.25 1x51 s PRO 29 N -1.67 4.22 0.07 9.60 0.04 -1.26 -3.00 135.00 143.00 1x51 s PRO 29 Ca -0.12 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.00 1x51 s PRO 29 Cb -0.09 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 1x51 s PRO 29 CO -0.01 -0.75 -0.15 0.20 0.04 0.00 0.00 177.00 176.33 1x51 s GLY 30 N 2.64 1.67 0.04 0.56 0.00 0.10 -4.95 107.32 107.39 1x51 s GLY 30 Ca 0.67 -1.23 -0.10 0.00 0.00 0.00 0.00 44.72 44.06 1x51 s GLY 30 CO 0.25 -1.16 1.17 0.00 0.00 0.00 0.00 173.10 173.37 1x51 h ALA 31 N 4.12 -0.45 -0.97 3.20 0.00 -2.00 -1.82 119.26 121.34 1x51 h ALA 31 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1x51 h ALA 31 Cb 1.16 0.84 -0.05 0.00 0.00 0.00 0.00 17.79 19.75 1x51 h ALA 31 CO 0.49 -0.53 0.61 -0.07 0.00 0.00 0.00 179.25 179.74 1x51 h LEU 32 N -0.13 1.14 0.00 0.00 3.38 -2.03 -3.47 115.31 114.20 1x51 h LEU 32 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1x51 h LEU 32 Cb 0.19 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1x51 h LEU 32 CO -0.19 0.85 0.00 0.61 0.09 0.00 0.00 178.44 179.80 1x51 n GLY 33 N -1.30 -0.37 3.55 0.83 0.00 -0.68 -5.17 105.19 102.04 1x51 n GLY 33 Ca 0.11 0.56 -0.17 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.78 0.12 4.61 0.00 -1.26 0.01 121.76 122.46 1x51 s ALA 34 Ca 0.00 1.50 0.04 0.00 0.00 0.00 0.00 51.96 53.50 1x51 s ALA 34 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1x51 s ALA 34 CO 0.00 -0.36 -0.10 1.14 0.00 0.00 0.00 175.76 176.45 1x51 s GLN 35 N -0.80 0.96 0.48 0.00 -2.07 -1.16 -3.88 119.66 113.19 1x51 s GLN 35 Ca -0.08 -1.34 0.05 0.00 -1.82 0.00 0.00 55.36 52.17 1x51 s GLN 35 Cb -0.01 -0.53 -0.01 0.00 -1.09 0.00 0.00 33.01 31.37 1x51 s GLN 35 CO 0.07 0.06 0.22 0.96 -1.32 0.00 0.00 175.29 175.28 1x51 s ILE 36 N -3.10 1.79 0.06 3.63 -4.36 0.44 -1.95 121.20 117.71 1x51 s ILE 36 Ca 0.12 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1x51 s ILE 36 Cb 0.01 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 1x51 s ILE 36 CO -0.01 0.00 0.17 -0.22 0.24 0.00 0.00 174.94 175.12 1x51 s LEU 37 N -4.03 4.20 -0.11 0.37 2.96 -0.76 -2.30 118.68 119.01 1x51 s LEU 37 Ca 0.30 0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 54.36 1x51 s LEU 37 Cb 0.01 -2.81 0.05 0.00 0.50 0.00 0.00 46.19 43.95 1x51 s LEU 37 CO 0.17 0.17 0.22 -0.22 -1.32 0.00 0.00 176.35 175.37 1x51 s LEU 38 N -2.45 -0.08 -0.00 -0.68 2.96 0.57 -4.58 118.68 114.42 1x51 s LEU 38 Ca 0.33 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 1x51 s LEU 38 Cb -0.13 0.54 -0.04 0.00 0.50 0.00 0.00 46.19 47.06 1x51 s LEU 38 CO 0.26 -0.23 0.03 0.68 -1.32 0.00 0.00 176.35 175.77 1x51 s VAL 39 N 2.16 4.36 0.21 1.68 -7.23 -0.91 -0.09 120.40 120.58 1x51 s VAL 39 Ca -0.00 -0.54 0.04 0.00 -1.81 0.00 0.00 61.98 59.68 1x51 s VAL 39 Cb -0.12 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 1x51 s VAL 39 CO -0.07 0.36 0.32 -1.58 -0.31 0.00 0.00 175.10 173.82 1x51 s GLN 40 N -1.63 3.40 0.24 4.82 0.74 -1.11 -1.48 119.66 124.64 1x51 s GLN 40 Ca 0.21 -0.72 0.07 0.00 0.05 0.00 0.00 55.36 54.97 1x51 s GLN 40 Cb -0.12 -2.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.06 1x51 s GLN 40 CO 0.12 0.46 0.14 1.03 -0.55 0.00 0.00 175.29 176.48 1x51 s ARG 41 N -3.72 2.77 0.58 1.67 0.52 -1.19 -4.97 118.95 114.61 1x51 s ARG 41 Ca 0.34 -1.11 -0.18 0.00 -0.52 0.00 0.00 55.73 54.26 1x51 s ARG 41 Cb -0.10 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 1x51 s ARG 41 CO 0.29 0.41 1.13 -1.25 0.02 0.00 0.00 175.30 175.89 1x51 s PRO 42 N -3.67 3.19 0.09 3.54 0.04 -1.26 -3.55 135.00 133.39 1x51 s PRO 42 Ca 0.32 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.61 1x51 s PRO 42 Cb -0.08 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1x51 s PRO 42 CO 0.23 -0.97 1.54 1.21 0.04 0.00 0.00 177.00 179.06 1x51 s ASN 43 N -1.99 6.68 -0.03 6.66 3.84 -1.26 -3.90 114.94 124.95 1x51 s ASN 43 Ca 0.71 2.43 -0.29 0.00 0.21 0.00 0.00 52.86 55.92 1x51 s ASN 43 Cb -0.23 -2.58 0.10 0.00 -0.55 0.00 0.00 41.25 38.00 1x51 s ASN 43 CO 0.31 -0.80 0.89 -0.44 -2.79 0.00 0.00 177.10 174.27 1x51 s SER 44 N 1.72 -0.38 0.00 -4.21 0.01 -1.26 -5.01 113.70 104.57 1x51 s SER 44 Ca 0.69 0.09 0.00 0.00 1.31 0.00 0.00 55.95 58.04 1x51 s SER 44 Cb -0.39 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1x51 s SER 44 CO 0.31 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1x51 n GLY 45 N -0.06 1.13 0.03 3.44 0.00 -1.26 -4.20 105.19 104.27 1x51 n GLY 45 Ca -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 0.59 -4.55 0.99 4.77 -1.26 -4.83 117.00 112.71 1x51 n LEU 46 Ca 0.00 0.15 -0.38 0.00 -0.03 0.00 0.00 56.01 55.75 1x51 n LEU 46 Cb 0.00 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 1x51 n LEU 46 CO 0.00 -0.44 1.40 -0.22 -1.33 0.00 0.00 177.39 176.80 1x51 s LEU 47 N -5.85 3.26 0.27 2.23 1.98 -1.26 -4.89 118.68 114.41 1x51 s LEU 47 Ca -0.08 -0.35 -0.20 0.00 -2.89 0.00 0.00 54.13 50.61 1x51 s LEU 47 Cb 0.01 -2.55 0.06 0.00 0.66 0.00 0.00 46.19 44.37 1x51 s LEU 47 CO 0.12 -2.12 0.89 0.00 -1.89 0.00 0.00 176.35 173.35 1x51 s ALA 48 N 7.47 -1.22 0.00 5.97 0.00 -1.26 -4.91 121.76 127.80 1x51 s ALA 48 Ca 0.53 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1x51 s ALA 48 Cb -0.08 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1x51 s ALA 48 CO 0.11 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1x51 n GLY 49 N -0.57 0.41 3.87 0.00 0.00 -1.23 -4.92 105.19 102.74 1x51 n GLY 49 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.15 -0.17 0.99 2.01 -1.26 -4.67 118.68 118.73 1x51 s LEU 50 Ca 0.00 1.38 -0.11 0.00 0.01 0.00 0.00 54.13 55.41 1x51 s LEU 50 Cb 0.00 -4.36 -0.05 0.00 0.01 0.00 0.00 46.19 41.79 1x51 s LEU 50 CO 0.00 -1.02 0.21 0.26 1.01 0.00 0.00 176.35 176.80 1x51 s TRP 51 N -3.20 3.46 -0.08 0.29 0.52 0.03 -3.15 118.94 116.80 1x51 s TRP 51 Ca 0.56 0.48 -0.28 0.00 0.02 0.00 0.00 56.10 56.88 1x51 s TRP 51 Cb -0.11 -2.22 0.06 0.00 -1.15 0.00 0.00 33.47 30.05 1x51 s TRP 51 CO 0.54 0.32 0.64 -1.83 0.02 0.00 0.00 176.95 176.63 1x51 s GLU 52 N 0.24 0.97 0.63 4.98 1.03 -0.55 -3.85 118.70 122.14 1x51 s GLU 52 Ca 0.13 0.33 -0.17 0.00 0.03 0.00 0.00 54.97 55.28 1x51 s GLU 52 Cb -0.12 0.46 -0.06 0.00 -0.80 0.00 0.00 34.13 33.61 1x51 s GLU 52 CO 0.01 -0.27 0.62 1.19 -1.33 0.00 0.00 175.26 175.48 1x51 n PHE 53 N 1.27 -0.42 -2.26 4.83 3.72 -1.26 -2.14 117.46 121.20 1x51 n PHE 53 Ca -0.18 0.41 -0.38 0.00 -0.05 0.00 0.00 57.45 57.24 1x51 n PHE 53 Cb 0.57 -1.98 -0.02 0.00 -0.94 0.00 0.00 39.48 37.11 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 -2.46 4.03 0.21 -1.08 0.04 -1.26 -4.76 135.00 129.71 1x51 s PRO 54 Ca 0.69 1.88 -0.08 0.00 0.04 0.00 0.00 61.00 63.54 1x51 s PRO 54 Cb -0.41 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 1x51 s PRO 54 CO 0.54 -0.35 0.30 -1.54 0.04 0.00 0.00 177.00 175.99 1x51 s SER 55 N -1.09 0.04 0.32 6.66 1.04 -1.26 -2.74 113.70 116.66 1x51 s SER 55 Ca 0.57 -1.07 0.03 0.00 0.48 0.00 0.00 55.95 55.97 1x51 s SER 55 Cb -0.32 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 1x51 s SER 55 CO 0.40 -0.96 0.13 0.68 0.98 0.00 0.00 173.24 174.46 1x51 s VAL 56 N -4.05 0.54 0.44 5.02 -7.23 -0.96 -4.96 120.40 109.20 1x51 s VAL 56 Ca 0.26 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.19 1x51 s VAL 56 Cb 0.03 -2.55 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 1x51 s VAL 56 CO 0.07 0.00 1.20 0.35 -0.31 0.00 0.00 175.10 176.41 1x51 n THR 57 N -0.63 2.69 -0.61 5.32 -2.24 -1.26 -2.19 114.28 115.36 1x51 n THR 57 Ca -0.01 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.97 1x51 n THR 57 Cb 0.65 -1.45 0.21 0.00 -2.10 0.00 0.00 70.33 67.64 1x51 n THR 57 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1x51 s TRP 58 N -1.24 1.48 -0.06 4.78 -0.00 -1.21 -4.61 118.94 118.08 1x51 s TRP 58 Ca 0.63 1.53 -0.04 0.00 -0.00 0.00 0.00 56.10 58.23 1x51 s TRP 58 Cb -0.51 -3.23 0.03 0.00 -0.00 0.00 0.00 33.47 29.75 1x51 s TRP 58 CO 0.56 -3.31 0.14 -1.21 -0.00 0.00 0.00 176.95 173.13 1x51 s GLU 59 N -4.55 0.12 0.52 5.86 0.41 -1.26 -4.97 118.70 114.82 1x51 s GLU 59 Ca 0.68 0.28 0.30 0.00 -0.41 0.00 0.00 54.97 55.82 1x51 s GLU 59 Cb -0.24 -0.06 1.27 0.00 -1.78 0.00 0.00 34.13 33.32 1x51 s GLU 59 CO 0.61 -0.10 1.96 -1.00 -0.49 0.00 0.00 175.26 176.24 1x51 h PRO 60 N 6.64 0.00 -6.21 0.39 0.13 -1.96 -3.45 132.00 127.54 1x51 h PRO 60 Ca -0.35 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.23 1x51 h PRO 60 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1x51 h PRO 60 CO 0.43 0.09 -0.57 0.45 -0.23 0.00 0.00 178.00 178.17 1x51 s SER 61 N -5.89 5.41 0.18 1.44 0.15 -1.26 -5.03 113.70 108.70 1x51 s SER 61 Ca 0.00 -0.21 -0.04 0.00 0.70 0.00 0.00 55.95 56.40 1x51 s SER 61 Cb 0.10 -1.37 0.07 0.00 -1.71 0.00 0.00 66.02 63.11 1x51 s SER 61 CO 0.57 0.04 1.47 -0.08 1.20 0.00 0.00 173.24 176.44 1x51 h GLU 62 N 2.15 0.58 0.06 5.44 4.81 -2.01 -2.88 114.58 122.73 1x51 h GLU 62 Ca -0.48 -0.38 -0.00 0.00 -0.13 0.00 0.00 59.36 58.37 1x51 h GLU 62 Cb 1.21 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1x51 h GLU 62 CO 0.62 1.00 -0.03 0.37 -0.73 0.00 0.00 179.01 180.24 1x51 h GLN 63 N 0.43 -0.07 -0.96 1.92 4.15 -1.97 -3.12 115.11 115.48 1x51 h GLN 63 Ca -0.00 0.00 0.22 0.00 0.77 0.00 0.00 58.65 59.64 1x51 h GLN 63 Cb 1.15 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.78 1x51 h GLN 63 CO 0.11 0.51 0.62 -0.07 -1.93 0.00 0.00 178.83 178.08 1x51 h LEU 64 N -0.74 0.49 0.70 -2.39 4.07 -1.96 0.11 115.31 115.60 1x51 h LEU 64 Ca -0.01 0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 1x51 h LEU 64 Cb 0.62 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.34 1x51 h LEU 64 CO 0.01 0.17 -0.34 -0.61 -1.08 0.00 0.00 178.44 176.59 1x51 h GLN 65 N 0.47 -0.91 -0.08 1.13 5.75 -1.53 -2.68 115.11 117.26 1x51 h GLN 65 Ca 0.53 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 59.09 1x51 h GLN 65 Cb 1.22 0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.97 1x51 h GLN 65 CO -0.24 -0.58 0.05 0.00 -2.65 0.00 0.00 178.83 175.40 1x51 h ARG 66 N -1.05 0.11 -0.15 1.69 3.08 -1.28 0.10 114.38 116.88 1x51 h ARG 66 Ca -0.10 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.96 1x51 h ARG 66 Cb 0.75 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1x51 h ARG 66 CO 0.16 0.07 -0.12 0.87 -1.07 0.00 0.00 179.97 179.88 1x51 h LYS 67 N 0.11 -0.04 0.50 0.04 1.57 -0.82 -1.44 116.57 116.49 1x51 h LYS 67 Ca 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1x51 h LYS 67 Cb -0.01 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1x51 h LYS 67 CO -0.01 -0.03 -0.24 0.00 -0.57 0.00 0.00 179.45 178.61 1x51 h ALA 68 N -0.85 -0.66 -1.34 3.86 0.00 -1.48 -1.91 119.26 116.88 1x51 h ALA 68 Ca 0.03 -0.16 0.41 0.00 0.00 0.00 0.00 54.91 55.18 1x51 h ALA 68 Cb 0.11 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1x51 h ALA 68 CO -0.17 -0.83 0.94 -0.11 0.00 0.00 0.00 179.25 179.08 1x51 n LEU 69 N -5.34 0.05 -0.03 0.00 7.94 0.35 0.19 117.00 120.15 1x51 n LEU 69 Ca -0.12 0.84 -0.22 0.00 -1.11 0.00 0.00 56.01 55.40 1x51 n LEU 69 Cb 0.29 -0.42 -0.13 0.00 0.53 0.00 0.00 43.42 43.70 1x51 n LEU 69 CO 0.36 -0.87 -0.74 0.18 -1.11 0.00 0.00 177.39 175.21 1x51 n LEU 70 N -3.67 2.38 -0.14 -1.96 4.77 -0.57 -3.28 117.00 114.53 1x51 n LEU 70 Ca 0.32 0.28 0.28 0.00 -0.03 0.00 0.00 56.01 56.86 1x51 n LEU 70 Cb 1.41 -1.06 0.65 0.00 -2.33 0.00 0.00 43.42 42.08 1x51 n LEU 70 CO 0.27 0.67 1.25 0.06 -1.33 0.00 0.00 177.39 178.31 1x51 h GLN 71 N -0.29 0.00 0.04 3.23 3.07 0.29 0.70 115.11 122.15 1x51 h GLN 71 Ca -0.41 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.03 1x51 h GLN 71 Cb 1.79 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.32 1x51 h GLN 71 CO -0.02 0.00 -1.68 -1.91 0.09 0.00 0.00 178.83 175.31 1x51 n GLU 72 N -3.64 0.63 -0.17 0.06 4.07 -0.79 -4.08 120.64 116.71 1x51 n GLU 72 Ca 0.18 0.43 -0.01 0.00 -0.06 0.00 0.00 57.16 57.70 1x51 n GLU 72 Cb 1.13 -1.70 0.06 0.00 -0.06 0.00 0.00 31.44 30.88 1x51 n GLU 72 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1x51 h LEU 73 N -0.63 -0.31 -0.79 4.31 3.38 -0.91 -0.37 115.31 120.00 1x51 h LEU 73 Ca -0.42 0.14 0.14 0.00 0.09 0.00 0.00 57.88 57.82 1x51 h LEU 73 Cb 1.59 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 42.51 1x51 h LEU 73 CO -0.14 -0.11 0.37 1.56 0.09 0.00 0.00 178.44 180.21 1x51 h GLN 74 N 0.08 0.53 -0.86 1.13 4.20 -1.34 0.16 115.11 119.00 1x51 h GLN 74 Ca 0.27 -0.03 0.22 0.00 0.06 0.00 0.00 58.65 59.17 1x51 h GLN 74 Cb 0.42 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 1x51 h GLN 74 CO -0.48 0.35 0.59 0.00 -0.67 0.00 0.00 178.83 178.62 1x51 h ARG 75 N 0.54 0.22 0.00 1.46 3.08 -1.21 -0.96 114.38 117.51 1x51 h ARG 75 Ca 0.43 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1x51 h ARG 75 Cb 0.61 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1x51 h ARG 75 CO -0.37 0.14 -0.12 -1.49 -1.07 0.00 0.00 179.97 177.07 1x51 h TRP 76 N 0.22 0.00 0.00 3.04 4.06 -0.69 -3.45 115.95 119.14 1x51 h TRP 76 Ca 0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.38 1x51 h TRP 76 Cb 1.34 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.50 1x51 h TRP 76 CO -0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1x51 n ALA 77 N -2.58 -0.01 0.00 1.49 0.00 -0.11 -3.93 120.51 115.37 1x51 n ALA 77 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1x51 n ALA 77 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 2.02 -0.20 3.62 0.00 0.00 -0.37 -4.80 105.19 105.45 1x51 n GLY 78 Ca 0.00 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 3.61 -0.11 1.61 0.04 -1.26 -4.14 135.00 134.76 1x51 s PRO 79 Ca 0.00 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.54 1x51 s PRO 79 Cb 0.00 -4.09 0.02 0.00 0.04 0.00 0.00 34.50 30.47 1x51 s PRO 79 CO 0.00 -1.52 -0.13 -0.51 0.04 0.00 0.00 177.00 174.88 1x51 s LEU 80 N 5.79 1.61 0.99 -3.56 2.01 -1.26 -5.01 118.68 119.25 1x51 s LEU 80 Ca 0.73 -0.40 -0.12 0.00 0.01 0.00 0.00 54.13 54.35 1x51 s LEU 80 Cb -0.23 -1.03 0.18 0.00 0.01 0.00 0.00 46.19 45.12 1x51 s LEU 80 CO 0.31 -0.02 1.09 -2.16 1.01 0.00 0.00 176.35 176.59 1x51 s PRO 81 N 1.16 0.53 -0.07 1.29 0.04 -1.26 -5.03 135.00 131.66 1x51 s PRO 81 Ca -0.04 0.57 -0.05 0.00 0.04 0.00 0.00 61.00 61.52 1x51 s PRO 81 Cb -0.14 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 1x51 s PRO 81 CO -0.04 -2.67 -0.11 0.00 0.04 0.00 0.00 177.00 174.22 1x51 n ALA 82 N -4.14 2.41 0.10 8.56 0.00 -1.26 -4.56 120.51 121.61 1x51 n ALA 82 Ca 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 53.44 53.15 1x51 n ALA 82 Cb 0.57 0.34 0.25 0.00 0.00 0.00 0.00 19.45 20.61 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 -0.32 1.29 -0.59 0.00 1.03 -2.04 -2.86 112.91 109.42 1x51 h THR 83 Ca -0.17 -1.41 -0.01 0.00 -0.01 0.00 0.00 66.41 64.81 1x51 h THR 83 Cb 1.00 1.61 -0.03 0.00 -1.07 0.00 0.00 68.15 69.66 1x51 h THR 83 CO -0.11 0.42 0.34 0.45 -0.01 0.00 0.00 175.52 176.62 1x51 h HIS 84 N 0.20 0.78 -4.14 0.00 -0.00 -1.96 -3.43 115.15 106.61 1x51 h HIS 84 Ca 0.02 -0.00 -0.55 0.00 -0.00 0.00 0.00 60.37 59.84 1x51 h HIS 84 Cb 0.75 -0.26 0.17 0.00 -0.00 0.00 0.00 27.41 28.07 1x51 h HIS 84 CO 0.01 0.54 0.40 -0.11 -0.00 0.00 0.00 177.93 178.77 1x51 n LEU 85 N -4.40 5.11 -3.52 2.43 7.94 -1.08 -4.82 117.00 118.66 1x51 n LEU 85 Ca 0.06 0.70 -0.09 0.00 -1.11 0.00 0.00 56.01 55.56 1x51 n LEU 85 Cb 0.09 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 42.48 1x51 n LEU 85 CO 0.37 -1.40 0.70 0.00 -1.11 0.00 0.00 177.39 175.95 1x51 s ARG 86 N -3.75 0.78 -0.31 1.96 1.70 -1.22 -5.03 118.95 113.08 1x51 s ARG 86 Ca 0.78 -0.20 -0.18 0.00 -0.47 0.00 0.00 55.73 55.66 1x51 s ARG 86 Cb -0.33 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.39 1x51 s ARG 86 CO 0.46 -0.32 0.50 -1.58 -1.08 0.00 0.00 175.30 173.28 1x51 s HIS 87 N -2.67 3.22 -0.47 5.89 5.65 -1.26 -2.96 115.29 122.69 1x51 s HIS 87 Ca 0.03 0.37 0.03 0.00 0.25 0.00 0.00 55.06 55.75 1x51 s HIS 87 Cb -0.01 -2.81 0.13 0.00 -1.18 0.00 0.00 32.58 28.70 1x51 s HIS 87 CO -0.06 -0.41 0.22 -0.51 -0.65 0.00 0.00 174.74 173.32 1x51 s LEU 88 N 2.33 4.01 0.00 8.88 1.43 -1.04 -5.00 118.68 129.29 1x51 s LEU 88 Ca 0.19 -2.76 0.00 0.00 -1.03 0.00 0.00 54.13 50.53 1x51 s LEU 88 Cb -0.16 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1x51 s LEU 88 CO 0.11 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.04 1x51 n GLY 89 N 3.42 -1.74 3.50 -3.19 0.00 -1.26 -4.51 105.19 101.41 1x51 n GLY 89 Ca 0.05 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.08 1.44 -0.20 1.61 1.03 -1.26 -3.17 118.70 117.07 1x51 s GLU 90 Ca 0.00 -1.30 -0.04 0.00 0.03 0.00 0.00 54.97 53.66 1x51 s GLU 90 Cb 0.00 0.43 0.08 0.00 -0.80 0.00 0.00 34.13 33.84 1x51 s GLU 90 CO 0.00 -0.58 0.14 0.08 -1.33 0.00 0.00 175.26 173.57 1x51 s VAL 91 N -4.03 -0.16 -0.34 1.83 1.01 0.66 -4.83 120.40 114.53 1x51 s VAL 91 Ca 0.24 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1x51 s VAL 91 Cb 0.01 -0.69 0.07 0.00 0.00 0.00 0.00 36.38 35.77 1x51 s VAL 91 CO 0.08 -0.34 0.07 -0.69 0.00 0.00 0.00 175.10 174.22 1x51 s VAL 92 N 2.19 3.17 0.19 2.92 1.01 -1.26 0.33 120.40 128.95 1x51 s VAL 92 Ca 0.05 -1.55 0.04 0.00 0.00 0.00 0.00 61.98 60.52 1x51 s VAL 92 Cb -0.16 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1x51 s VAL 92 CO -0.16 -0.28 0.28 -2.28 0.00 0.00 0.00 175.10 172.66 1x51 s HIS 93 N 1.24 3.37 -0.11 5.22 2.46 -0.85 -4.97 115.29 121.65 1x51 s HIS 93 Ca -0.01 0.02 0.01 0.00 0.47 0.00 0.00 55.06 55.55 1x51 s HIS 93 Cb -0.21 -1.58 0.02 0.00 -0.13 0.00 0.00 32.58 30.69 1x51 s HIS 93 CO -0.01 0.49 -0.13 0.99 -2.47 0.00 0.00 174.74 173.61 1x51 s THR 94 N -1.87 1.32 0.56 0.89 2.01 -1.26 -0.14 115.64 117.15 1x51 s THR 94 Ca 0.34 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.88 1x51 s THR 94 Cb -0.10 -1.25 0.06 0.00 0.01 0.00 0.00 72.50 71.23 1x51 s THR 94 CO 0.27 0.41 0.50 0.49 -0.69 0.00 0.00 174.62 175.61 1x51 n PHE 95 N 4.42 -0.93 -1.65 4.92 3.72 0.74 -4.96 117.46 123.72 1x51 n PHE 95 Ca -0.18 -2.32 -0.54 0.00 -0.05 0.00 0.00 57.45 54.36 1x51 n PHE 95 Cb 0.51 -0.48 -0.06 0.00 -0.94 0.00 0.00 39.48 38.51 1x51 n PHE 95 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1x51 n SER 96 N -1.93 2.02 -1.99 4.37 7.64 -1.26 -0.66 113.62 121.81 1x51 n SER 96 Ca 0.02 1.10 -0.01 0.00 1.01 0.00 0.00 58.87 60.99 1x51 n SER 96 Cb 0.63 -1.17 -0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 3.89 -1.45 -3.88 1.43 1.44 -1.26 -4.79 115.22 110.59 1x51 n HIS 97 Ca 0.22 0.01 -0.09 0.00 -2.01 0.00 0.00 57.72 55.85 1x51 n HIS 97 Cb 0.16 -0.74 -0.08 0.00 0.12 0.00 0.00 29.99 29.45 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 -1.48 0.14 -0.02 0.61 1.01 0.17 -4.57 121.20 117.06 1x51 s ILE 98 Ca 0.01 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1x51 s ILE 98 Cb -0.01 -1.15 0.03 0.00 0.01 0.00 0.00 42.46 41.34 1x51 s ILE 98 CO 0.01 -0.62 0.02 -0.75 0.00 0.00 0.00 174.94 173.61 1x51 s LYS 99 N -3.28 -0.00 0.16 2.79 2.36 -0.76 -0.19 119.74 120.82 1x51 s LYS 99 Ca 0.01 0.17 0.09 0.00 -2.55 0.00 0.00 55.97 53.68 1x51 s LYS 99 Cb 0.02 -0.26 -0.04 0.00 -1.05 0.00 0.00 37.83 36.51 1x51 s LYS 99 CO -0.08 -0.15 -0.14 -0.51 1.55 0.00 0.00 175.35 176.02 1x51 s LEU 100 N 1.00 2.83 -0.17 5.43 2.01 0.80 -3.32 118.68 127.25 1x51 s LEU 100 Ca -0.08 -0.60 -0.03 0.00 0.01 0.00 0.00 54.13 53.43 1x51 s LEU 100 Cb -0.12 -1.57 0.06 0.00 0.01 0.00 0.00 46.19 44.56 1x51 s LEU 100 CO -0.03 0.13 0.04 -0.89 1.01 0.00 0.00 176.35 176.61 1x51 s THR 101 N -1.50 0.43 -0.11 5.49 2.01 -0.78 -2.02 115.64 119.16 1x51 s THR 101 Ca 0.22 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 1x51 s THR 101 Cb -0.09 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1x51 s THR 101 CO 0.13 -0.15 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.54 1x51 s TYR 102 N 1.91 2.97 -0.32 4.92 1.51 0.15 -1.03 117.35 127.46 1x51 s TYR 102 Ca 0.00 -0.19 -0.11 0.00 -1.01 0.00 0.00 57.07 55.76 1x51 s TYR 102 Cb -0.16 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 1x51 s TYR 102 CO -0.08 0.11 0.19 -0.65 -1.11 0.00 0.00 175.55 174.02 1x51 s GLN 103 N -0.16 3.43 0.03 -0.62 -1.52 -0.77 -0.25 119.66 119.80 1x51 s GLN 103 Ca 0.02 -0.67 -0.30 0.00 -1.95 0.00 0.00 55.36 52.46 1x51 s GLN 103 Cb -0.13 -3.67 -0.06 0.00 -0.22 0.00 0.00 33.01 28.93 1x51 s GLN 103 CO 0.03 -0.42 1.33 0.08 -0.25 0.00 0.00 175.29 176.06 1x51 s VAL 104 N 1.67 3.77 -0.04 1.09 1.01 -1.19 -2.35 120.40 124.35 1x51 s VAL 104 Ca 0.05 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 1x51 s VAL 104 Cb -0.17 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.47 1x51 s VAL 104 CO 0.08 0.03 0.04 -0.31 0.00 0.00 0.00 175.10 174.95 1x51 s TYR 105 N 1.86 0.16 -0.06 5.22 2.02 -0.91 -2.49 117.35 123.16 1x51 s TYR 105 Ca 0.62 0.17 -0.10 0.00 -0.37 0.00 0.00 57.07 57.39 1x51 s TYR 105 Cb -0.31 -0.50 -0.05 0.00 -0.40 0.00 0.00 41.96 40.70 1x51 s TYR 105 CO 0.27 -0.20 0.26 0.20 -1.57 0.00 0.00 175.55 174.51 1x51 s GLY 106 N 1.96 2.29 -0.24 0.71 0.00 -1.15 0.52 107.32 111.41 1x51 s GLY 106 Ca 0.03 -0.48 -0.08 0.00 0.00 0.00 0.00 44.72 44.19 1x51 s GLY 106 CO -0.03 -0.19 0.50 -2.27 0.00 0.00 0.00 173.10 171.11 1x51 s LEU 107 N -1.17 -0.84 0.17 0.66 1.98 -1.00 -3.39 118.68 115.09 1x51 s LEU 107 Ca 0.20 1.16 0.08 0.00 -2.89 0.00 0.00 54.13 52.68 1x51 s LEU 107 Cb -0.14 1.70 -0.04 0.00 0.66 0.00 0.00 46.19 48.37 1x51 s LEU 107 CO 0.09 -0.23 -0.16 0.00 -1.89 0.00 0.00 176.35 174.16 1x51 s ALA 108 N 2.72 1.95 -0.14 5.97 0.00 -1.26 -0.60 121.76 130.39 1x51 s ALA 108 Ca -0.02 -1.52 -0.19 0.00 0.00 0.00 0.00 51.96 50.23 1x51 s ALA 108 Cb -0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1x51 s ALA 108 CO -0.15 0.16 0.50 -0.51 0.00 0.00 0.00 175.76 175.77 1x51 s LEU 109 N -2.85 4.24 -0.03 0.00 1.43 -0.40 -4.92 118.68 116.15 1x51 s LEU 109 Ca 0.17 0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 53.96 1x51 s LEU 109 Cb -0.04 -2.72 -0.06 0.00 0.03 0.00 0.00 46.19 43.39 1x51 s LEU 109 CO 0.06 -0.06 0.54 -0.08 0.23 0.00 0.00 176.35 177.04 1x51 h GLU 110 N 6.93 -0.39 0.00 1.70 4.57 -1.99 -3.39 114.58 122.01 1x51 h GLU 110 Ca -0.39 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1x51 h GLU 110 Cb 1.17 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1x51 h GLU 110 CO 0.75 -0.26 0.00 0.41 -1.18 0.00 0.00 179.01 178.73 1x51 n GLY 111 N 0.59 -1.85 1.33 1.92 0.00 -1.26 -4.94 105.19 100.98 1x51 n GLY 111 Ca -0.05 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 0.00 0.00 -3.69 1.61 1.13 -1.26 -5.11 117.38 110.06 1x51 n GLN 112 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 1x51 n GLN 112 Cb 0.00 -0.19 -0.11 0.00 0.11 0.00 0.00 30.24 30.05 1x51 n GLN 112 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1x51 s THR 113 N -1.55 -0.12 1.09 5.09 -4.23 -1.26 -5.17 115.64 109.49 1x51 s THR 113 Ca 0.00 0.12 -0.15 0.00 -1.18 0.00 0.00 61.69 60.48 1x51 s THR 113 Cb 0.00 -0.57 0.23 0.00 1.34 0.00 0.00 72.50 73.51 1x51 s THR 113 CO 0.00 0.05 1.10 -2.16 -0.54 0.00 0.00 174.62 173.07 1x51 s PRO 114 N 1.57 -0.31 -0.36 3.99 0.04 -1.26 -4.92 135.00 133.75 1x51 s PRO 114 Ca -0.08 0.27 0.06 0.00 0.04 0.00 0.00 61.00 61.29 1x51 s PRO 114 Cb -0.09 -1.67 0.44 0.00 0.04 0.00 0.00 34.50 33.21 1x51 s PRO 114 CO -0.12 -3.17 1.15 1.55 0.04 0.00 0.00 177.00 176.45 1x51 n VAL 115 N -4.44 2.43 0.00 -0.36 3.14 -1.26 -4.80 118.33 113.03 1x51 n VAL 115 Ca 0.08 -4.54 0.00 0.00 -2.96 0.00 0.00 64.34 56.92 1x51 n VAL 115 Cb 0.58 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.20 1x51 n VAL 115 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1x51 n THR 116 N -0.59 0.89 -3.78 1.55 5.66 -1.26 -4.24 114.28 112.51 1x51 n THR 116 Ca 0.41 0.23 -0.37 0.00 -3.05 0.00 0.00 64.05 61.26 1x51 n THR 116 Cb 0.82 -1.23 -0.12 0.00 -1.55 0.00 0.00 70.33 68.25 1x51 n THR 116 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1x51 s THR 117 N -2.43 3.62 -0.04 1.09 2.01 -1.26 -5.08 115.64 113.54 1x51 s THR 117 Ca 0.00 -1.26 0.05 0.00 0.31 0.00 0.00 61.69 60.79 1x51 s THR 117 Cb 0.00 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 1x51 s THR 117 CO 0.00 -0.22 -0.19 0.54 -0.69 0.00 0.00 174.62 174.06 1x51 s VAL 118 N 1.36 1.56 0.95 3.82 0.11 -1.26 -4.75 120.40 122.19 1x51 s VAL 118 Ca -0.01 -0.81 -0.12 0.00 -2.93 0.00 0.00 61.98 58.11 1x51 s VAL 118 Cb -0.20 -1.32 0.16 0.00 -1.53 0.00 0.00 36.38 33.49 1x51 s VAL 118 CO 0.02 0.44 1.09 -2.16 -3.33 0.00 0.00 175.10 171.16 1x51 s PRO 119 N -0.14 0.80 -0.39 1.54 0.04 -1.25 -4.93 135.00 130.66 1x51 s PRO 119 Ca -0.00 0.66 -0.28 0.00 0.04 0.00 0.00 61.00 61.41 1x51 s PRO 119 Cb -0.11 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1x51 s PRO 119 CO 0.02 -2.52 1.73 -1.25 0.04 0.00 0.00 177.00 175.01 1x51 s PRO 120 N -4.95 3.28 0.00 0.56 0.04 -1.26 -2.89 135.00 129.78 1x51 s PRO 120 Ca 0.64 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1x51 s PRO 120 Cb -0.18 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1x51 s PRO 120 CO 0.57 -1.92 0.00 0.41 0.04 0.00 0.00 177.00 176.10 1x51 n GLY 121 N 5.39 0.98 3.66 0.56 0.00 -1.26 -5.13 105.19 109.38 1x51 n GLY 121 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.57 3.19 0.05 4.61 0.00 -1.14 -2.74 121.76 125.15 1x51 s ALA 122 Ca 0.00 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.71 1x51 s ALA 122 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 1x51 s ALA 122 CO 0.00 0.57 -0.09 0.50 0.00 0.00 0.00 175.76 176.74 1x51 s ARG 123 N -2.65 0.60 -0.28 0.00 3.52 0.88 -4.89 118.95 116.12 1x51 s ARG 123 Ca 0.26 -0.79 0.02 0.00 -0.13 0.00 0.00 55.73 55.09 1x51 s ARG 123 Cb -0.10 -0.43 0.07 0.00 -1.56 0.00 0.00 34.95 32.93 1x51 s ARG 123 CO 0.18 0.08 -0.06 -1.58 -0.81 0.00 0.00 175.30 173.11 1x51 s TRP 124 N -1.32 3.35 0.39 5.12 0.52 -1.26 -0.31 118.94 125.42 1x51 s TRP 124 Ca -0.08 -2.36 0.06 0.00 0.02 0.00 0.00 56.10 53.75 1x51 s TRP 124 Cb -0.10 -2.13 -0.08 0.00 -1.15 0.00 0.00 33.47 30.01 1x51 s TRP 124 CO 0.01 -0.88 0.02 -0.48 0.02 0.00 0.00 176.95 175.64 1x51 s LEU 125 N 1.10 2.71 0.72 2.99 0.05 -0.97 -4.98 118.68 120.30 1x51 s LEU 125 Ca -0.05 -1.37 -0.10 0.00 0.05 0.00 0.00 54.13 52.67 1x51 s LEU 125 Cb -0.20 -0.78 0.05 0.00 -2.05 0.00 0.00 46.19 43.21 1x51 s LEU 125 CO -0.05 -0.48 1.08 0.42 -0.55 0.00 0.00 176.35 176.77 1x51 s THR 126 N -2.85 2.67 0.34 5.48 -4.23 -1.26 -0.42 115.64 115.36 1x51 s THR 126 Ca 0.35 0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.94 1x51 s THR 126 Cb 0.09 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 70.93 1x51 s THR 126 CO 0.17 -0.22 1.90 1.56 -0.54 0.00 0.00 174.62 177.49 1x51 h GLN 127 N -0.71 0.58 0.00 3.99 4.20 -1.92 -1.39 115.11 119.87 1x51 h GLN 127 Ca -0.45 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.15 1x51 h GLN 127 Cb 1.30 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1x51 h GLN 127 CO 0.63 0.55 0.00 1.05 -0.67 0.00 0.00 178.83 180.40 1x51 h GLU 128 N 0.57 0.00 0.02 1.46 4.11 -1.93 -3.27 114.58 115.54 1x51 h GLU 128 Ca 0.13 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.50 1x51 h GLU 128 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1x51 h GLU 128 CO 0.00 0.00 -0.30 0.93 0.07 0.00 0.00 179.01 179.71 1x51 h GLU 129 N 0.00 0.05 -1.00 1.06 4.39 -1.64 -3.34 114.58 114.10 1x51 h GLU 129 Ca 0.00 -0.08 0.29 0.00 0.34 0.00 0.00 59.36 59.91 1x51 h GLU 129 Cb 0.72 0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.26 1x51 h GLU 129 CO 0.00 1.04 0.57 0.35 -1.16 0.00 0.00 179.01 179.80 1x51 h PHE 130 N -0.90 0.94 -0.87 4.33 3.04 -1.43 0.57 116.94 122.62 1x51 h PHE 130 Ca -0.07 0.04 0.03 0.00 3.98 0.00 0.00 57.97 61.95 1x51 h PHE 130 Cb 1.14 -0.25 -0.05 0.00 2.56 0.00 0.00 35.95 39.35 1x51 h PHE 130 CO 0.24 -0.08 0.57 0.45 -2.02 0.00 0.00 178.31 177.47 1x51 h HIS 131 N 0.42 1.06 0.00 0.41 3.86 -1.67 -1.78 115.15 117.44 1x51 h HIS 131 Ca 0.69 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.93 1x51 h HIS 131 Cb 1.47 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1x51 h HIS 131 CO -0.02 0.61 -0.43 1.79 0.86 0.00 0.00 177.93 180.75 1x51 h THR 132 N 1.10 0.00 -3.65 2.45 1.35 -0.22 -3.47 112.91 110.47 1x51 h THR 132 Ca 0.35 -0.81 -0.44 0.00 -0.55 0.00 0.00 66.41 64.96 1x51 h THR 132 Cb -0.00 1.57 0.18 0.00 -1.73 0.00 0.00 68.15 68.17 1x51 h THR 132 CO -0.12 0.00 0.13 0.00 -0.25 0.00 0.00 175.52 175.28 1x51 s ALA 133 N -3.23 0.41 -0.70 6.62 0.00 0.13 -4.96 121.76 120.04 1x51 s ALA 133 Ca 0.05 -0.35 -0.19 0.00 0.00 0.00 0.00 51.96 51.47 1x51 s ALA 133 Cb 0.09 -3.14 0.11 0.00 0.00 0.00 0.00 23.12 20.19 1x51 s ALA 133 CO 0.70 -3.24 0.85 0.00 0.00 0.00 0.00 175.76 174.08 1x51 s ALA 134 N -2.81 3.40 0.18 0.00 0.00 -1.26 -4.98 121.76 116.28 1x51 s ALA 134 Ca 0.67 -2.36 0.10 0.00 0.00 0.00 0.00 51.96 50.36 1x51 s ALA 134 Cb -0.20 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 1x51 s ALA 134 CO 0.60 -2.57 -0.20 0.08 0.00 0.00 0.00 175.76 173.66 1x51 s VAL 135 N 2.76 2.02 0.22 0.00 1.01 -1.25 -0.79 120.40 124.37 1x51 s VAL 135 Ca 0.19 -1.95 -0.30 0.00 0.00 0.00 0.00 61.98 59.91 1x51 s VAL 135 Cb -0.17 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.18 1x51 s VAL 135 CO 0.02 -0.23 1.00 -0.55 0.00 0.00 0.00 175.10 175.34 1x51 s SER 136 N -2.65 7.48 0.01 3.32 0.15 -1.26 -4.79 113.70 115.95 1x51 s SER 136 Ca 0.17 2.01 -0.02 0.00 0.70 0.00 0.00 55.95 58.82 1x51 s SER 136 Cb -0.07 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1x51 s SER 136 CO 0.08 -0.00 0.75 0.41 1.20 0.00 0.00 173.24 175.68 1x51 n THR 137 N 1.80 -0.04 -0.27 6.45 -1.04 -1.26 0.75 114.28 120.68 1x51 n THR 137 Ca -0.00 1.13 0.09 0.00 -2.04 0.00 0.00 64.05 63.24 1x51 n THR 137 Cb 0.47 -1.50 0.19 0.00 -1.82 0.00 0.00 70.33 67.67 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 -2.78 0.33 -0.03 2.41 0.00 -1.26 0.12 120.51 119.29 1x51 n ALA 138 Ca 0.00 0.82 -0.12 0.00 0.00 0.00 0.00 53.44 54.14 1x51 n ALA 138 Cb 0.02 -0.57 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 0.17 0.00 0.00 2.07 -0.04 -2.64 114.93 114.49 1x51 h MET 139 Ca 0.43 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.99 1x51 h MET 139 Cb 0.83 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.55 1x51 h MET 139 CO -0.74 0.50 0.15 0.87 1.07 0.00 0.00 176.91 178.77 1x51 h LYS 140 N -0.16 0.00 0.00 1.72 1.57 0.34 0.47 116.57 120.51 1x51 h LYS 140 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1x51 h LYS 140 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1x51 h LYS 140 CO 0.01 0.00 -1.02 1.63 -0.57 0.00 0.00 179.45 179.50 1x51 n LYS 141 N -2.60 0.52 0.01 3.15 5.02 -0.02 -4.00 118.16 120.24 1x51 n LYS 141 Ca -0.02 0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 56.17 1x51 n LYS 141 Cb 0.20 -1.75 -0.12 0.00 -0.02 0.00 0.00 35.03 33.33 1x51 n LYS 141 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x51 h VAL 142 N 0.00 1.45 0.25 -0.18 2.07 0.16 -3.12 116.25 116.88 1x51 h VAL 142 Ca 0.00 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.35 1x51 h VAL 142 Cb 0.93 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 1x51 h VAL 142 CO 0.00 0.63 -0.28 0.15 0.02 0.00 0.00 177.57 178.08 1x51 h PHE 143 N -0.18 -0.76 -0.87 1.57 3.57 -1.67 -0.46 116.94 118.15 1x51 h PHE 143 Ca -0.09 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.59 1x51 h PHE 143 Cb 1.37 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 40.35 1x51 h PHE 143 CO 0.16 -0.41 0.57 0.07 -2.23 0.00 0.00 178.31 176.47 1x51 h ARG 144 N -0.58 0.50 0.00 1.11 0.11 -1.69 0.31 114.38 114.14 1x51 h ARG 144 Ca -0.00 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.94 1x51 h ARG 144 Cb 0.54 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 1x51 h ARG 144 CO -0.08 0.33 -0.49 0.28 0.10 0.00 0.00 179.97 180.11 1x51 h VAL 145 N 0.52 1.13 0.06 0.08 2.07 -1.28 -3.07 116.25 115.76 1x51 h VAL 145 Ca 0.44 -1.83 -0.11 0.00 0.82 0.00 0.00 66.70 66.02 1x51 h VAL 145 Cb 0.94 2.05 0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1x51 h VAL 145 CO -0.18 0.48 -0.48 0.22 0.02 0.00 0.00 177.57 177.63 1x51 h TYR 146 N 0.00 0.36 -0.72 1.57 3.20 0.11 -3.33 116.97 118.17 1x51 h TYR 146 Ca -0.00 -0.24 0.13 0.00 3.14 0.00 0.00 58.73 61.75 1x51 h TYR 146 Cb 1.01 -0.02 -0.09 0.00 1.54 0.00 0.00 36.73 39.17 1x51 h TYR 146 CO 0.00 1.14 0.29 1.96 -1.64 0.00 0.00 178.16 179.92 1x51 h GLN 147 N -0.52 0.44 -0.96 1.82 4.20 -1.00 -2.21 115.11 116.89 1x51 h GLN 147 Ca -0.08 -0.03 0.17 0.00 0.06 0.00 0.00 58.65 58.77 1x51 h GLN 147 Cb 1.33 -0.10 -0.17 0.00 0.30 0.00 0.00 27.48 28.84 1x51 h GLN 147 CO 0.09 0.29 -0.32 0.78 -0.67 0.00 0.00 178.83 179.01 1x51 h GLY 148 N 0.46 0.36 -7.48 3.46 0.00 -1.64 -3.17 103.07 95.06 1x51 h GLY 148 Ca 0.38 0.42 -0.74 0.00 0.00 0.00 0.00 47.33 47.40 1x51 h GLY 148 CO -0.37 -0.28 0.27 1.20 0.00 0.00 0.00 176.54 177.36 1x51 s GLN 149 N -6.10 3.39 0.31 4.80 -1.52 -0.83 -4.99 119.66 114.72 1x51 s GLN 149 Ca -0.14 -1.88 -0.03 0.00 -1.95 0.00 0.00 55.36 51.36 1x51 s GLN 149 Cb 0.23 -4.50 -0.01 0.00 -0.22 0.00 0.00 33.01 28.52 1x51 s GLN 149 CO 0.74 -1.50 0.42 0.45 -0.25 0.00 0.00 175.29 175.16 1x51 s SER 150 N 3.09 0.78 1.23 5.90 0.15 -1.20 -4.97 113.70 118.69 1x51 s SER 150 Ca 0.19 -1.43 -0.18 0.00 0.70 0.00 0.00 55.95 55.22 1x51 s SER 150 Cb -0.14 0.61 0.30 0.00 -1.71 0.00 0.00 66.02 65.08 1x51 s SER 150 CO -0.04 -1.21 1.05 -0.83 1.20 0.00 0.00 173.24 173.41 1x51 s GLY 151 N -3.21 1.53 0.00 9.45 0.00 -1.26 -4.89 107.32 108.94 1x51 s GLY 151 Ca 0.31 -0.74 0.14 0.00 0.00 0.00 0.00 44.72 44.44 1x51 s GLY 151 CO 0.19 0.13 1.44 -1.55 0.00 0.00 0.00 173.10 173.31 1x51 n PRO 152 N -4.95 0.07 -0.94 2.90 -0.04 -1.26 -4.88 135.00 125.90 1x51 n PRO 152 Ca 0.10 0.22 -0.30 0.00 -0.04 0.00 0.00 63.50 63.48 1x51 n PRO 152 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1x51 n PRO 152 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x51 n SER 153 N -1.43 -2.24 -3.71 3.54 7.64 -1.26 -4.97 113.62 111.19 1x51 n SER 153 Ca 0.05 0.57 -0.15 0.00 1.01 0.00 0.00 58.87 60.35 1x51 n SER 153 Cb 0.15 -0.64 -0.15 0.00 -1.01 0.00 0.00 64.21 62.57 1x51 n SER 153 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x51 s SER 154 N -0.73 0.23 0.00 6.43 0.15 -1.26 -5.17 113.70 113.36 1x51 s SER 154 Ca 0.43 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1x51 s SER 154 Cb -0.44 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1x51 s SER 154 CO 0.46 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.32