#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 6.42 -0.30 1.61 0.15 -1.26 -5.01 113.70 115.31 1x51 s SER 2 Ca 0.00 0.23 -0.09 0.00 0.70 0.00 0.00 55.95 56.79 1x51 s SER 2 Cb 0.00 -2.31 0.14 0.00 -1.71 0.00 0.00 66.02 62.15 1x51 s SER 2 CO 0.00 -0.50 0.69 -0.55 1.20 0.00 0.00 173.24 174.08 1x51 s SER 3 N 1.71 -1.11 0.06 5.45 0.15 -1.26 -5.17 113.70 113.53 1x51 s SER 3 Ca 0.23 1.36 -0.03 0.00 0.70 0.00 0.00 55.95 58.20 1x51 s SER 3 Cb -0.15 2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 66.33 1x51 s SER 3 CO 0.13 -0.21 0.04 -0.83 1.20 0.00 0.00 173.24 173.57 1x51 s GLY 4 N 2.84 0.35 0.30 9.45 0.00 -1.26 -5.16 107.32 113.85 1x51 s GLY 4 Ca -0.01 -1.02 -0.14 0.00 0.00 0.00 0.00 44.72 43.54 1x51 s GLY 4 CO -0.19 -1.16 0.70 -0.45 0.00 0.00 0.00 173.10 172.01 1x51 s SER 5 N -2.90 6.75 -0.00 1.64 0.15 -1.26 -5.01 113.70 113.07 1x51 s SER 5 Ca 0.06 1.22 -0.19 0.00 0.70 0.00 0.00 55.95 57.74 1x51 s SER 5 Cb 0.07 -2.35 -0.30 0.00 -1.71 0.00 0.00 66.02 61.73 1x51 s SER 5 CO -0.10 -0.18 1.00 0.77 1.20 0.00 0.00 173.24 175.93 1x51 h SER 6 N 2.33 0.64 0.00 5.45 4.64 -2.01 -3.48 113.55 121.12 1x51 h SER 6 Ca -0.48 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 59.97 1x51 h SER 6 Cb 1.17 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1x51 h SER 6 CO 0.66 1.46 0.00 0.61 -0.87 0.00 0.00 176.83 178.69 1x51 n GLY 7 N 1.48 -0.46 3.61 -0.77 0.00 -1.26 -5.08 105.19 102.70 1x51 n GLY 7 Ca -0.14 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1x51 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x51 s PRO 8 N 0.00 3.57 -1.26 1.61 0.04 -1.26 -4.91 135.00 132.78 1x51 s PRO 8 Ca 0.00 1.45 -0.19 0.00 0.04 0.00 0.00 61.00 62.31 1x51 s PRO 8 Cb 0.00 -4.10 0.01 0.00 0.04 0.00 0.00 34.50 30.45 1x51 s PRO 8 CO 0.00 -1.57 1.89 -2.13 0.04 0.00 0.00 177.00 175.24 1x51 n ARG 9 N 8.04 2.66 -3.95 4.56 3.00 -1.26 -4.88 116.66 124.83 1x51 n ARG 9 Ca 0.20 -2.86 -0.08 0.00 -0.00 0.00 0.00 57.85 55.11 1x51 n ARG 9 Cb 0.46 -3.46 -0.09 0.00 0.00 0.00 0.00 32.46 29.38 1x51 n ARG 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1x51 s LYS 10 N 4.55 0.70 0.24 -0.14 -0.14 -1.26 -5.05 119.74 118.64 1x51 s LYS 10 Ca 0.56 -0.98 -0.05 0.00 -1.36 0.00 0.00 55.97 54.14 1x51 s LYS 10 Cb 0.06 0.27 0.38 0.00 -1.68 0.00 0.00 37.83 36.86 1x51 s LYS 10 CO 0.06 -0.18 1.80 0.00 -0.76 0.00 0.00 175.35 176.27 1x51 h ALA 11 N 3.14 1.13 -1.46 5.17 0.00 -1.99 -3.43 119.26 121.82 1x51 h ALA 11 Ca -0.34 0.04 -0.46 0.00 0.00 0.00 0.00 54.91 54.15 1x51 h ALA 11 Cb 1.18 -0.11 0.06 0.00 0.00 0.00 0.00 17.79 18.92 1x51 h ALA 11 CO 0.58 0.06 0.03 -1.54 0.00 0.00 0.00 179.25 178.37 1x51 s SER 12 N -5.58 4.78 -0.09 0.00 1.04 -1.26 -4.98 113.70 107.61 1x51 s SER 12 Ca -0.12 -0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.06 1x51 s SER 12 Cb 0.19 -0.30 0.25 0.00 0.10 0.00 0.00 66.02 66.26 1x51 s SER 12 CO 0.78 -1.53 0.98 -2.11 0.98 0.00 0.00 173.24 172.33 1x51 n ARG 13 N -2.58 2.07 -1.29 4.02 -4.01 -1.26 -4.93 116.66 108.68 1x51 n ARG 13 Ca 0.12 -1.00 -0.34 0.00 -1.04 0.00 0.00 57.85 55.60 1x51 n ARG 13 Cb 0.60 -1.67 0.11 0.00 -3.04 0.00 0.00 32.46 28.46 1x51 n ARG 13 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 1x51 s LYS 14 N -1.46 1.90 1.00 2.89 -0.14 -1.26 -5.00 119.74 117.68 1x51 s LYS 14 Ca 0.18 1.77 -0.12 0.00 -1.36 0.00 0.00 55.97 56.43 1x51 s LYS 14 Cb 0.14 -1.80 0.19 0.00 -1.68 0.00 0.00 37.83 34.67 1x51 s LYS 14 CO 0.05 -2.02 1.09 -1.25 -0.76 0.00 0.00 175.35 172.46 1x51 s PRO 15 N -4.01 0.38 0.34 -1.68 0.04 -1.26 -4.63 135.00 124.17 1x51 s PRO 15 Ca 0.74 0.50 0.13 0.00 0.04 0.00 0.00 61.00 62.41 1x51 s PRO 15 Cb -0.29 -1.73 0.59 0.00 0.04 0.00 0.00 34.50 33.10 1x51 s PRO 15 CO 0.48 -2.76 1.74 -1.00 0.04 0.00 0.00 177.00 175.49 1x51 h PRO 16 N -1.92 0.00 -0.26 0.56 0.13 -1.94 -3.33 132.00 125.24 1x51 h PRO 16 Ca -0.55 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1x51 h PRO 16 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 1x51 h PRO 16 CO 0.58 0.47 -0.15 0.54 -0.23 0.00 0.00 178.00 179.20 1x51 n ARG 17 N -3.92 -0.12 -2.74 0.86 5.12 -1.26 -3.37 116.66 111.23 1x51 n ARG 17 Ca -0.01 0.85 -0.42 0.00 -1.93 0.00 0.00 57.85 56.34 1x51 n ARG 17 Cb 0.50 -1.27 -0.04 0.00 -1.16 0.00 0.00 32.46 30.49 1x51 n ARG 17 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1x51 s GLU 18 N -3.86 3.24 -0.17 5.56 0.41 -1.25 -2.47 118.70 120.16 1x51 s GLU 18 Ca -0.03 -0.39 -0.04 0.00 -0.41 0.00 0.00 54.97 54.10 1x51 s GLU 18 Cb 0.03 -4.14 0.08 0.00 -1.78 0.00 0.00 34.13 28.32 1x51 s GLU 18 CO 0.16 -1.79 0.20 -1.21 -0.49 0.00 0.00 175.26 172.13 1x51 s GLU 19 N 4.58 0.14 0.08 1.61 2.02 -1.22 -4.91 118.70 121.00 1x51 s GLU 19 Ca 0.30 0.31 0.06 0.00 0.02 0.00 0.00 54.97 55.67 1x51 s GLU 19 Cb -0.12 -0.93 -0.04 0.00 0.10 0.00 0.00 34.13 33.13 1x51 s GLU 19 CO 0.16 -0.54 -0.10 -1.12 0.02 0.00 0.00 175.26 173.68 1x51 s SER 20 N 2.31 4.40 0.01 -0.19 0.01 -1.26 -1.14 113.70 117.84 1x51 s SER 20 Ca 0.05 -0.35 -0.16 0.00 1.31 0.00 0.00 55.95 56.80 1x51 s SER 20 Cb -0.15 -0.86 0.03 0.00 0.21 0.00 0.00 66.02 65.25 1x51 s SER 20 CO -0.10 0.20 0.34 -0.94 0.41 0.00 0.00 173.24 173.15 1x51 s SER 21 N -2.04 -0.21 -0.30 2.44 1.04 0.51 -3.30 113.70 111.84 1x51 s SER 21 Ca 0.20 0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.69 1x51 s SER 21 Cb -0.11 0.35 0.08 0.00 0.10 0.00 0.00 66.02 66.44 1x51 s SER 21 CO 0.12 -0.53 -0.01 0.00 0.98 0.00 0.00 173.24 173.80 1x51 s ALA 22 N -1.84 2.55 0.06 5.32 0.00 -0.44 -1.05 121.76 126.36 1x51 s ALA 22 Ca -0.10 -2.05 0.02 0.00 0.00 0.00 0.00 51.96 49.83 1x51 s ALA 22 Cb -0.03 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1x51 s ALA 22 CO 0.01 -1.46 0.07 -0.08 0.00 0.00 0.00 175.76 174.31 1x51 s THR 23 N 1.09 4.53 0.06 0.00 -1.32 -0.86 -1.12 115.64 118.03 1x51 s THR 23 Ca 0.02 -0.69 0.03 0.00 -1.21 0.00 0.00 61.69 59.84 1x51 s THR 23 Cb -0.19 -3.15 -0.03 0.00 -1.51 0.00 0.00 72.50 67.62 1x51 s THR 23 CO -0.08 0.18 -0.10 0.00 -2.21 0.00 0.00 174.62 172.41 1x51 s VAL 25 N -1.57 5.26 -0.28 0.00 1.01 0.59 -4.44 120.40 120.96 1x51 s VAL 25 Ca -0.05 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.59 1x51 s VAL 25 Cb -0.09 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1x51 s VAL 25 CO 0.01 0.40 -0.03 -0.22 0.00 0.00 0.00 175.10 175.25 1x51 s LEU 26 N 0.33 3.69 0.18 3.92 2.96 -1.25 -1.14 118.68 127.38 1x51 s LEU 26 Ca 0.19 -1.21 0.11 0.00 -0.22 0.00 0.00 54.13 53.00 1x51 s LEU 26 Cb -0.14 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1x51 s LEU 26 CO 0.06 -0.22 -0.23 -0.70 -1.32 0.00 0.00 176.35 173.94 1x51 s GLU 27 N 1.25 1.46 -0.05 1.98 2.12 -0.96 -1.37 118.70 123.13 1x51 s GLU 27 Ca -0.05 -1.48 -0.02 0.00 0.36 0.00 0.00 54.97 53.78 1x51 s GLU 27 Cb -0.19 -1.74 0.04 0.00 0.26 0.00 0.00 34.13 32.49 1x51 s GLU 27 CO -0.02 0.38 0.10 -1.14 -0.54 0.00 0.00 175.26 174.03 1x51 s GLN 28 N -2.63 -0.01 -0.12 4.30 2.00 -0.15 -2.51 119.66 120.55 1x51 s GLN 28 Ca 0.19 0.38 -0.29 0.00 -2.00 0.00 0.00 55.36 53.63 1x51 s GLN 28 Cb -0.08 -0.32 -0.04 0.00 0.80 0.00 0.00 33.01 33.37 1x51 s GLN 28 CO 0.09 -0.25 1.54 -1.25 -0.50 0.00 0.00 175.29 174.92 1x51 s PRO 29 N 1.74 4.12 0.00 1.67 0.04 -1.26 -2.25 135.00 139.05 1x51 s PRO 29 Ca -0.02 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1x51 s PRO 29 Cb -0.12 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1x51 s PRO 29 CO -0.04 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.51 1x51 n GLY 30 N 4.10 3.88 0.07 0.56 0.00 -1.08 -4.98 105.19 107.75 1x51 n GLY 30 Ca 0.17 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 1x51 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x51 h ALA 31 N 0.23 0.06 0.05 4.61 0.00 -2.00 -3.39 119.26 118.83 1x51 h ALA 31 Ca 0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1x51 h ALA 31 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1x51 h ALA 31 CO 0.00 0.25 -0.03 -0.07 0.00 0.00 0.00 179.25 179.41 1x51 h LEU 32 N -1.00 -0.06 0.00 0.00 3.38 -2.00 -3.48 115.31 112.15 1x51 h LEU 32 Ca -0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1x51 h LEU 32 Cb 0.75 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1x51 h LEU 32 CO -0.05 -0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.07 1x51 n GLY 33 N -1.04 -2.39 3.53 0.83 0.00 -1.26 -5.16 105.19 99.70 1x51 n GLY 33 Ca -0.08 0.78 -0.16 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 -1.00 -1.80 -0.00 4.61 0.00 -1.26 -2.62 121.76 119.69 1x51 s ALA 34 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1x51 s ALA 34 Cb 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1x51 s ALA 34 CO 0.00 -0.37 0.00 -1.14 0.00 0.00 0.00 175.76 174.26 1x51 s GLN 35 N -1.25 0.00 0.50 0.00 0.74 -0.95 -4.55 119.66 114.15 1x51 s GLN 35 Ca -0.09 0.03 0.08 0.00 0.05 0.00 0.00 55.36 55.43 1x51 s GLN 35 Cb -0.00 -0.05 0.04 0.00 1.10 0.00 0.00 33.01 34.09 1x51 s GLN 35 CO 0.08 -0.03 0.56 0.96 -0.55 0.00 0.00 175.29 176.31 1x51 s ILE 36 N 0.19 2.30 0.11 -2.34 -4.36 0.74 -0.98 121.20 116.86 1x51 s ILE 36 Ca -0.02 -1.20 0.05 0.00 -0.26 0.00 0.00 60.65 59.22 1x51 s ILE 36 Cb -0.02 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 1x51 s ILE 36 CO -0.01 0.00 0.03 -0.22 0.24 0.00 0.00 174.94 174.99 1x51 s LEU 37 N -4.39 3.55 -0.10 0.37 2.96 -0.47 -1.58 118.68 119.03 1x51 s LEU 37 Ca 0.51 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.21 1x51 s LEU 37 Cb -0.05 -2.25 0.05 0.00 0.50 0.00 0.00 46.19 44.44 1x51 s LEU 37 CO 0.31 0.15 0.19 -0.22 -1.32 0.00 0.00 176.35 175.45 1x51 s LEU 38 N -2.54 -0.08 0.02 -0.68 2.96 0.13 -4.68 118.68 113.81 1x51 s LEU 38 Ca 0.27 0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 1x51 s LEU 38 Cb -0.11 0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.94 1x51 s LEU 38 CO 0.20 -0.24 0.06 0.68 -1.32 0.00 0.00 176.35 175.74 1x51 s VAL 39 N 2.25 4.55 -0.16 1.68 -7.23 0.14 -0.22 120.40 121.40 1x51 s VAL 39 Ca 0.02 -0.56 0.01 0.00 -1.81 0.00 0.00 61.98 59.64 1x51 s VAL 39 Cb -0.12 -3.11 0.02 0.00 0.56 0.00 0.00 36.38 33.73 1x51 s VAL 39 CO -0.07 0.29 -0.19 -1.58 -0.31 0.00 0.00 175.10 173.24 1x51 s GLN 40 N -1.90 2.78 0.91 4.82 0.74 -1.18 0.24 119.66 126.07 1x51 s GLN 40 Ca 0.24 -0.75 -0.11 0.00 0.05 0.00 0.00 55.36 54.79 1x51 s GLN 40 Cb -0.12 -2.39 0.11 0.00 1.10 0.00 0.00 33.01 31.71 1x51 s GLN 40 CO 0.16 -0.17 0.98 0.54 -0.55 0.00 0.00 175.29 176.25 1x51 n ARG 41 N 4.51 -0.32 -1.10 1.67 3.00 -1.24 -4.88 116.66 118.30 1x51 n ARG 41 Ca -0.20 -0.03 -0.30 0.00 -0.01 0.00 0.00 57.85 57.32 1x51 n ARG 41 Cb 0.50 -2.26 0.23 0.00 0.00 0.00 0.00 32.46 30.93 1x51 n ARG 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1x51 s PRO 42 N -4.31 -0.85 -0.36 5.56 0.04 -1.26 -2.70 135.00 131.13 1x51 s PRO 42 Ca 0.66 0.06 -0.07 0.00 0.04 0.00 0.00 61.00 61.69 1x51 s PRO 42 Cb -0.24 -1.63 -0.22 0.00 0.04 0.00 0.00 34.50 32.46 1x51 s PRO 42 CO 0.59 -3.49 3.35 0.09 0.04 0.00 0.00 177.00 177.58 1x51 n ASN 43 N -4.63 5.80 -3.96 6.66 4.13 -1.26 -2.99 115.26 119.01 1x51 n ASN 43 Ca 0.11 -2.46 -0.31 0.00 1.68 0.00 0.00 54.58 53.60 1x51 n ASN 43 Cb 0.59 -1.39 -0.10 0.00 -1.54 0.00 0.00 39.78 37.34 1x51 n ASN 43 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1x51 n SER 44 N 2.78 3.53 0.00 6.41 7.64 -1.26 -5.02 113.62 127.69 1x51 n SER 44 Ca 0.49 -3.20 0.00 0.00 1.01 0.00 0.00 58.87 57.17 1x51 n SER 44 Cb 0.73 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1x51 n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x51 n GLY 45 N 2.02 3.59 0.19 0.23 0.00 -1.26 -4.78 105.19 105.18 1x51 n GLY 45 Ca 0.21 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 1x51 n GLY 45 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x51 h LEU 46 N 0.00 -0.32 -3.50 0.99 3.38 -1.98 -3.09 115.31 110.78 1x51 h LEU 46 Ca 0.00 -0.17 -0.33 0.00 0.09 0.00 0.00 57.88 57.48 1x51 h LEU 46 Cb 0.00 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 40.70 1x51 h LEU 46 CO 0.00 0.00 0.41 -0.11 0.09 0.00 0.00 178.44 178.84 1x51 n LEU 47 N -5.13 6.47 -4.92 1.67 0.00 -1.26 -4.91 117.00 108.92 1x51 n LEU 47 Ca -0.10 -3.32 -0.20 0.00 0.00 0.00 0.00 56.01 52.40 1x51 n LEU 47 Cb 0.25 -1.06 -0.02 0.00 0.00 0.00 0.00 43.42 42.59 1x51 n LEU 47 CO 0.32 1.24 0.00 0.00 0.00 0.00 0.00 177.39 178.95 1x51 s ALA 48 N -1.81 4.08 -0.23 1.96 0.00 -1.17 -4.60 121.76 120.00 1x51 s ALA 48 Ca 0.32 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1x51 s ALA 48 Cb 0.25 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1x51 s ALA 48 CO -0.01 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1x51 n GLY 49 N -1.54 0.36 3.66 0.00 0.00 -1.10 -4.93 105.19 101.64 1x51 n GLY 49 Ca 0.01 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.67 3.64 0.13 0.99 2.01 -1.26 -4.86 118.68 118.66 1x51 s LEU 50 Ca 0.00 0.12 -0.31 0.00 0.01 0.00 0.00 54.13 53.95 1x51 s LEU 50 Cb 0.00 -1.86 -0.08 0.00 0.01 0.00 0.00 46.19 44.26 1x51 s LEU 50 CO 0.00 0.31 1.34 0.26 1.01 0.00 0.00 176.35 179.27 1x51 s TRP 51 N -0.46 3.28 0.02 0.29 0.52 -0.90 -3.65 118.94 118.04 1x51 s TRP 51 Ca 0.09 1.08 -0.28 0.00 0.02 0.00 0.00 56.10 57.00 1x51 s TRP 51 Cb -0.12 -3.62 0.10 0.00 -1.15 0.00 0.00 33.47 28.68 1x51 s TRP 51 CO 0.02 -2.07 0.92 -1.83 0.02 0.00 0.00 176.95 174.01 1x51 s GLU 52 N 0.81 0.87 0.64 4.98 -1.05 0.14 -4.06 118.70 121.02 1x51 s GLU 52 Ca 0.62 -0.36 -0.17 0.00 -0.15 0.00 0.00 54.97 54.91 1x51 s GLU 52 Cb -0.35 0.37 -0.01 0.00 -0.44 0.00 0.00 34.13 33.70 1x51 s GLU 52 CO 0.32 -0.38 1.17 -0.06 0.95 0.00 0.00 175.26 177.25 1x51 s PHE 53 N -3.12 2.41 0.38 4.83 0.08 -1.26 0.23 117.98 121.52 1x51 s PHE 53 Ca 0.07 1.55 -0.26 0.00 0.12 0.00 0.00 56.93 58.40 1x51 s PHE 53 Cb -0.01 -3.37 -0.09 0.00 -0.57 0.00 0.00 43.02 38.98 1x51 s PHE 53 CO -0.07 -2.08 1.20 -1.25 -0.10 0.00 0.00 175.22 172.92 1x51 s PRO 54 N -3.67 4.16 0.05 0.24 0.04 -1.26 -4.79 135.00 129.78 1x51 s PRO 54 Ca 0.73 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 63.69 1x51 s PRO 54 Cb -0.26 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1x51 s PRO 54 CO 0.37 -0.25 -0.01 -1.54 0.04 0.00 0.00 177.00 175.61 1x51 s SER 55 N -0.95 0.45 0.44 6.66 1.04 -1.26 -2.83 113.70 117.24 1x51 s SER 55 Ca 0.54 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 56.04 1x51 s SER 55 Cb -0.33 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 1x51 s SER 55 CO 0.42 -0.61 0.11 0.68 0.98 0.00 0.00 173.24 174.83 1x51 s VAL 56 N -3.88 0.65 0.35 5.02 -7.23 -0.27 -4.91 120.40 110.12 1x51 s VAL 56 Ca 0.07 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.96 1x51 s VAL 56 Cb 0.07 -2.27 -0.10 0.00 0.56 0.00 0.00 36.38 34.65 1x51 s VAL 56 CO -0.10 0.00 1.33 0.42 -0.31 0.00 0.00 175.10 176.44 1x51 s THR 57 N -3.13 2.60 0.63 5.32 -4.23 -1.26 -1.33 115.64 114.24 1x51 s THR 57 Ca 0.19 0.59 -0.18 0.00 -1.18 0.00 0.00 61.69 61.12 1x51 s THR 57 Cb 0.02 -3.37 -0.02 0.00 1.34 0.00 0.00 72.50 70.47 1x51 s THR 57 CO 0.12 0.13 1.20 0.86 -0.54 0.00 0.00 174.62 176.40 1x51 s TRP 58 N -1.17 2.32 -0.01 3.99 -0.00 -1.21 -4.55 118.94 118.32 1x51 s TRP 58 Ca 0.51 1.53 -0.00 0.00 -0.00 0.00 0.00 56.10 58.15 1x51 s TRP 58 Cb -0.40 -3.46 0.01 0.00 -0.00 0.00 0.00 33.47 29.62 1x51 s TRP 58 CO 0.53 -2.28 0.01 -1.21 -0.00 0.00 0.00 176.95 174.00 1x51 s GLU 59 N -3.52 -0.01 0.48 5.86 0.41 -1.26 -5.00 118.70 115.65 1x51 s GLU 59 Ca 0.76 0.06 0.31 0.00 -0.41 0.00 0.00 54.97 55.70 1x51 s GLU 59 Cb -0.30 -0.08 1.29 0.00 -1.78 0.00 0.00 34.13 33.27 1x51 s GLU 59 CO 0.37 -0.05 1.92 -1.00 -0.49 0.00 0.00 175.26 176.00 1x51 h PRO 60 N 6.51 0.00 -5.39 0.39 0.13 -1.98 -3.43 132.00 128.23 1x51 h PRO 60 Ca -0.31 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.20 1x51 h PRO 60 Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1x51 h PRO 60 CO 0.50 0.00 -0.50 -1.12 -0.23 0.00 0.00 178.00 176.65 1x51 s SER 61 N -5.29 6.14 0.35 1.44 0.01 -1.26 -4.98 113.70 110.11 1x51 s SER 61 Ca 0.02 0.27 0.08 0.00 1.31 0.00 0.00 55.95 57.63 1x51 s SER 61 Cb 0.09 -2.05 0.80 0.00 0.21 0.00 0.00 66.02 65.07 1x51 s SER 61 CO 0.50 0.24 1.87 -0.08 0.41 0.00 0.00 173.24 176.18 1x51 h GLU 62 N 6.20 0.69 0.13 12.44 4.22 -2.01 -2.36 114.58 133.88 1x51 h GLU 62 Ca -0.44 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 58.95 1x51 h GLU 62 Cb 1.17 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1x51 h GLU 62 CO 0.70 0.46 -0.06 0.37 -2.18 0.00 0.00 179.01 178.30 1x51 h GLN 63 N 0.71 -0.17 -0.72 1.92 4.15 -1.95 -3.23 115.11 115.82 1x51 h GLN 63 Ca 0.45 0.01 0.28 0.00 0.77 0.00 0.00 58.65 60.17 1x51 h GLN 63 Cb 0.70 0.04 -0.13 0.00 0.21 0.00 0.00 27.48 28.30 1x51 h GLN 63 CO -0.21 -0.11 0.32 1.28 -1.93 0.00 0.00 178.83 178.18 1x51 n LEU 64 N -3.37 0.19 0.02 -2.39 4.32 -1.16 0.20 117.00 114.81 1x51 n LEU 64 Ca -0.02 1.20 -0.11 0.00 -0.02 0.00 0.00 56.01 57.05 1x51 n LEU 64 Cb 0.07 -0.56 -0.06 0.00 -1.62 0.00 0.00 43.42 41.25 1x51 n LEU 64 CO 0.05 -1.32 0.88 -0.61 -1.22 0.00 0.00 177.39 175.17 1x51 h GLN 65 N 0.00 0.03 -0.12 3.23 5.75 -1.51 -2.01 115.11 120.49 1x51 h GLN 65 Ca 0.58 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.96 1x51 h GLN 65 Cb 1.49 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.02 1x51 h GLN 65 CO -0.58 0.02 -0.43 0.00 -2.65 0.00 0.00 178.83 175.20 1x51 h ARG 66 N 0.04 0.28 0.14 1.69 3.08 0.22 0.13 114.38 119.96 1x51 h ARG 66 Ca 0.02 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1x51 h ARG 66 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1x51 h ARG 66 CO -0.02 0.67 -0.15 0.87 -1.07 0.00 0.00 179.97 180.28 1x51 h LYS 67 N 0.24 -0.30 0.11 0.04 1.57 -0.45 -2.20 116.57 115.57 1x51 h LYS 67 Ca 0.02 0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.55 1x51 h LYS 67 Cb 0.86 0.07 0.03 0.00 0.08 0.00 0.00 32.23 33.26 1x51 h LYS 67 CO 0.07 -0.20 -1.14 0.00 -0.57 0.00 0.00 179.45 177.61 1x51 h ALA 68 N 0.51 -0.01 -0.76 3.86 0.00 -1.36 -3.14 119.26 118.36 1x51 h ALA 68 Ca 0.01 -0.74 0.17 0.00 0.00 0.00 0.00 54.91 54.35 1x51 h ALA 68 Cb 0.31 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.07 1x51 h ALA 68 CO -0.05 0.62 -0.00 1.25 0.00 0.00 0.00 179.25 181.07 1x51 h LEU 69 N 0.18 -0.36 -0.02 0.00 5.85 -0.68 -0.86 115.31 119.41 1x51 h LEU 69 Ca -0.17 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1x51 h LEU 69 Cb 1.83 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 43.21 1x51 h LEU 69 CO 0.22 -0.19 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.06 1x51 h LEU 70 N 0.10 0.04 -0.87 2.25 3.38 -1.49 -3.04 115.31 115.68 1x51 h LEU 70 Ca 0.42 -0.36 0.15 0.00 0.09 0.00 0.00 57.88 58.18 1x51 h LEU 70 Cb 0.73 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.32 1x51 h LEU 70 CO -0.68 0.39 -0.30 0.00 0.09 0.00 0.00 178.44 177.95 1x51 n GLN 71 N -4.89 -0.16 0.50 1.13 6.02 -0.36 -0.81 117.38 118.81 1x51 n GLN 71 Ca -0.08 1.35 -0.20 0.00 -0.01 0.00 0.00 57.00 58.06 1x51 n GLN 71 Cb 0.20 -2.01 -0.09 0.00 1.02 0.00 0.00 30.24 29.36 1x51 n GLN 71 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1x51 h GLU 72 N 0.00 -1.24 -0.92 -1.09 4.81 -1.47 -3.00 114.58 111.67 1x51 h GLU 72 Ca 0.35 0.08 0.13 0.00 -0.13 0.00 0.00 59.36 59.79 1x51 h GLU 72 Cb 0.56 0.28 -0.14 0.00 0.63 0.00 0.00 28.75 30.08 1x51 h GLU 72 CO -0.88 -0.83 -0.38 1.28 -0.73 0.00 0.00 179.01 177.47 1x51 n LEU 73 N -5.63 -0.65 -0.34 1.64 4.77 0.01 0.15 117.00 116.95 1x51 n LEU 73 Ca -0.16 1.61 0.15 0.00 -0.03 0.00 0.00 56.01 57.58 1x51 n LEU 73 Cb 0.51 -0.35 0.34 0.00 -2.33 0.00 0.00 43.42 41.59 1x51 n LEU 73 CO 0.39 -1.43 1.16 1.56 -1.33 0.00 0.00 177.39 177.74 1x51 h GLN 74 N 0.00 0.63 -0.64 3.23 4.20 -1.13 0.40 115.11 121.80 1x51 h GLN 74 Ca 0.30 -0.04 0.17 0.00 0.06 0.00 0.00 58.65 59.14 1x51 h GLN 74 Cb 0.53 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1x51 h GLN 74 CO -0.91 0.41 0.45 0.00 -0.67 0.00 0.00 178.83 178.12 1x51 h ARG 75 N 0.64 0.08 0.00 1.46 2.47 0.16 -1.64 114.38 117.56 1x51 h ARG 75 Ca 0.60 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.31 1x51 h ARG 75 Cb 1.04 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1x51 h ARG 75 CO -0.43 0.05 0.00 0.91 0.56 0.00 0.00 179.97 181.06 1x51 n TRP 76 N -4.38 0.00 0.00 3.04 7.02 0.13 -4.70 117.44 118.55 1x51 n TRP 76 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 1x51 n TRP 76 Cb 0.65 -0.25 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 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 -2.04 -0.05 0.00 6.99 0.00 -0.70 -4.03 120.51 120.68 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 1.71 -0.37 3.60 0.00 0.00 -0.62 -4.79 105.19 104.73 1x51 n GLY 78 Ca 0.00 0.12 -0.43 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 3.43 -0.05 1.61 0.04 -1.26 -4.12 135.00 134.65 1x51 s PRO 79 Ca 0.00 1.33 0.06 0.00 0.04 0.00 0.00 61.00 62.43 1x51 s PRO 79 Cb 0.00 -4.14 -0.01 0.00 0.04 0.00 0.00 34.50 30.39 1x51 s PRO 79 CO 0.00 -1.74 -0.23 -0.51 0.04 0.00 0.00 177.00 174.56 1x51 s LEU 80 N 6.38 2.03 0.00 -3.56 2.01 -1.26 -5.03 118.68 119.25 1x51 s LEU 80 Ca 0.75 -0.47 -0.04 0.00 0.01 0.00 0.00 54.13 54.37 1x51 s LEU 80 Cb -0.20 -1.27 0.06 0.00 0.01 0.00 0.00 46.19 44.79 1x51 s LEU 80 CO 0.33 0.23 0.23 -0.81 1.01 0.00 0.00 176.35 177.34 1x51 n PRO 81 N 2.97 -1.47 0.09 1.29 -0.04 -1.26 -5.06 135.00 131.52 1x51 n PRO 81 Ca -0.17 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1x51 n PRO 81 Cb 0.52 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 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 -3.39 3.00 0.28 0.55 0.00 -1.26 -4.78 120.51 114.90 1x51 n ALA 82 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1x51 n ALA 82 Cb 0.12 0.07 0.81 0.00 0.00 0.00 0.00 19.45 20.46 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 0.68 -0.32 0.00 1.35 -2.03 -1.46 112.91 111.13 1x51 h THR 83 Ca 0.00 -0.08 -0.09 0.00 -0.55 0.00 0.00 66.41 65.70 1x51 h THR 83 Cb 0.00 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 1x51 h THR 83 CO 0.00 0.02 -0.16 0.45 -0.25 0.00 0.00 175.52 175.58 1x51 h HIS 84 N 0.00 0.62 -4.06 4.73 -0.00 -1.96 -3.44 115.15 111.05 1x51 h HIS 84 Ca -0.00 -0.11 -0.54 0.00 -0.00 0.00 0.00 60.37 59.72 1x51 h HIS 84 Cb 0.04 -0.16 0.12 0.00 -0.00 0.00 0.00 27.41 27.41 1x51 h HIS 84 CO 0.00 0.70 0.54 -1.17 -0.00 0.00 0.00 177.93 178.00 1x51 s LEU 85 N -8.84 3.79 -0.17 2.43 2.96 -0.55 -4.76 118.68 113.55 1x51 s LEU 85 Ca -0.08 2.57 -0.29 0.00 -0.22 0.00 0.00 54.13 56.11 1x51 s LEU 85 Cb 0.14 -4.40 0.11 0.00 0.50 0.00 0.00 46.19 42.54 1x51 s LEU 85 CO 0.79 -1.52 0.92 0.00 -1.32 0.00 0.00 176.35 175.23 1x51 s ARG 86 N -3.04 0.68 -0.15 1.98 1.70 -1.16 -5.02 118.95 113.94 1x51 s ARG 86 Ca 0.73 0.30 -0.28 0.00 -0.47 0.00 0.00 55.73 56.01 1x51 s ARG 86 Cb -0.35 0.33 -0.01 0.00 -0.57 0.00 0.00 34.95 34.34 1x51 s ARG 86 CO 0.40 -0.19 0.97 -1.58 -1.08 0.00 0.00 175.30 173.83 1x51 s HIS 87 N -0.78 3.45 -0.39 5.89 5.65 -1.26 -1.97 115.29 125.88 1x51 s HIS 87 Ca -0.03 1.48 0.02 0.00 0.25 0.00 0.00 55.06 56.78 1x51 s HIS 87 Cb -0.02 -3.16 0.12 0.00 -1.18 0.00 0.00 32.58 28.34 1x51 s HIS 87 CO 0.02 -0.28 0.15 -0.51 -0.65 0.00 0.00 174.74 173.47 1x51 s LEU 88 N 2.29 3.28 0.00 8.88 1.43 -0.66 -4.97 118.68 128.93 1x51 s LEU 88 Ca 0.45 -2.27 0.00 0.00 -1.03 0.00 0.00 54.13 51.28 1x51 s LEU 88 Cb -0.17 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1x51 s LEU 88 CO 0.14 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.00 1x51 n GLY 89 N 4.05 -1.51 3.54 -3.19 0.00 -1.26 -4.51 105.19 102.31 1x51 n GLY 89 Ca 0.04 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.50 1.57 -0.23 1.61 1.03 -1.26 -3.07 118.70 117.83 1x51 s GLU 90 Ca 0.00 -1.35 -0.04 0.00 0.03 0.00 0.00 54.97 53.61 1x51 s GLU 90 Cb 0.00 0.45 0.09 0.00 -0.80 0.00 0.00 34.13 33.87 1x51 s GLU 90 CO 0.00 -0.64 0.14 0.08 -1.33 0.00 0.00 175.26 173.51 1x51 s VAL 91 N -3.89 -0.14 -0.28 1.83 1.01 -0.85 -4.83 120.40 113.25 1x51 s VAL 91 Ca 0.25 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1x51 s VAL 91 Cb 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 36.38 35.64 1x51 s VAL 91 CO 0.11 -0.47 -0.03 -0.69 0.00 0.00 0.00 175.10 174.01 1x51 s VAL 92 N 2.16 2.85 -0.18 2.92 1.01 -1.26 -1.50 120.40 126.40 1x51 s VAL 92 Ca 0.06 -1.34 -0.07 0.00 0.00 0.00 0.00 61.98 60.63 1x51 s VAL 92 Cb -0.16 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1x51 s VAL 92 CO -0.23 -0.03 0.05 -2.28 0.00 0.00 0.00 175.10 172.61 1x51 s HIS 93 N 1.25 3.22 -0.38 5.22 2.46 -1.12 -5.00 115.29 120.93 1x51 s HIS 93 Ca -0.05 0.01 -0.15 0.00 0.47 0.00 0.00 55.06 55.34 1x51 s HIS 93 Cb -0.19 -2.07 0.01 0.00 -0.13 0.00 0.00 32.58 30.19 1x51 s HIS 93 CO -0.02 0.11 0.34 0.99 -2.47 0.00 0.00 174.74 173.69 1x51 s THR 94 N 0.42 5.20 0.52 0.89 2.01 -1.26 -2.16 115.64 121.26 1x51 s THR 94 Ca 0.02 -0.32 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 1x51 s THR 94 Cb -0.13 -3.89 0.12 0.00 0.01 0.00 0.00 72.50 68.61 1x51 s THR 94 CO 0.01 -0.23 0.71 0.49 -0.69 0.00 0.00 174.62 174.91 1x51 n PHE 95 N 5.32 -3.78 0.02 4.92 3.72 0.26 -4.98 117.46 122.95 1x51 n PHE 95 Ca -0.10 -0.75 -0.07 0.00 -0.05 0.00 0.00 57.45 56.48 1x51 n PHE 95 Cb 0.48 -0.54 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 1x51 n PHE 95 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1x51 h SER 96 N -0.83 -0.77 0.00 4.37 0.02 -2.05 -3.30 113.55 110.99 1x51 h SER 96 Ca -0.23 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 1x51 h SER 96 Cb 0.68 0.30 -0.10 0.00 0.14 0.00 0.00 62.40 63.41 1x51 h SER 96 CO 0.18 -0.24 -0.61 0.00 -1.14 0.00 0.00 176.83 175.03 1x51 n HIS 97 N -3.86 0.00 -3.89 3.45 1.44 -1.26 -5.04 115.22 106.06 1x51 n HIS 97 Ca -0.03 -1.15 -0.11 0.00 -2.01 0.00 0.00 57.72 54.42 1x51 n HIS 97 Cb 0.18 -0.21 -0.11 0.00 0.12 0.00 0.00 29.99 29.97 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 -2.25 0.07 -0.20 0.61 1.01 -1.24 -4.62 121.20 114.58 1x51 s ILE 98 Ca 0.35 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.41 1x51 s ILE 98 Cb 0.36 -0.34 0.05 0.00 0.01 0.00 0.00 42.46 42.54 1x51 s ILE 98 CO -0.09 -0.33 -0.06 -0.75 0.00 0.00 0.00 174.94 173.72 1x51 s LYS 99 N -1.09 1.58 -0.03 2.79 2.20 -1.03 0.92 119.74 125.08 1x51 s LYS 99 Ca -0.12 -0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 54.69 1x51 s LYS 99 Cb -0.07 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.89 1x51 s LYS 99 CO 0.01 -0.51 0.20 -0.51 -0.36 0.00 0.00 175.35 174.18 1x51 s LEU 100 N 1.51 4.38 -0.23 5.43 2.01 -0.92 -3.66 118.68 127.20 1x51 s LEU 100 Ca -0.02 0.44 0.00 0.00 0.01 0.00 0.00 54.13 54.56 1x51 s LEU 100 Cb -0.17 -2.51 0.06 0.00 0.01 0.00 0.00 46.19 43.58 1x51 s LEU 100 CO -0.07 0.29 -0.03 -0.89 1.01 0.00 0.00 176.35 176.66 1x51 s THR 101 N -1.25 1.33 0.08 5.49 2.01 -0.29 -2.79 115.64 120.22 1x51 s THR 101 Ca 0.25 -1.12 0.05 0.00 0.31 0.00 0.00 61.69 61.17 1x51 s THR 101 Cb -0.13 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1x51 s THR 101 CO 0.15 -0.15 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.61 1x51 s TYR 102 N 1.48 2.98 -0.27 4.92 1.51 -0.56 -0.36 117.35 127.05 1x51 s TYR 102 Ca -0.04 -0.02 -0.03 0.00 -1.01 0.00 0.00 57.07 55.97 1x51 s TYR 102 Cb -0.18 -1.54 0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1x51 s TYR 102 CO -0.07 0.47 -0.02 -0.65 -1.11 0.00 0.00 175.55 174.18 1x51 s GLN 103 N -2.24 2.74 0.06 -0.62 -1.52 -0.22 -2.01 119.66 115.85 1x51 s GLN 103 Ca 0.25 -1.06 -0.31 0.00 -1.95 0.00 0.00 55.36 52.30 1x51 s GLN 103 Cb -0.12 -3.12 -0.06 0.00 -0.22 0.00 0.00 33.01 29.50 1x51 s GLN 103 CO 0.17 -0.48 1.29 0.08 -0.25 0.00 0.00 175.29 176.10 1x51 s VAL 104 N 1.33 3.79 0.04 1.09 1.01 -1.18 -2.02 120.40 124.47 1x51 s VAL 104 Ca -0.01 1.26 0.03 0.00 0.00 0.00 0.00 61.98 63.26 1x51 s VAL 104 Cb -0.18 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1x51 s VAL 104 CO -0.02 0.07 -0.11 -0.31 0.00 0.00 0.00 175.10 174.73 1x51 s TYR 105 N 1.41 0.92 -0.05 5.22 2.02 -0.64 -1.66 117.35 124.57 1x51 s TYR 105 Ca 0.61 -0.41 0.06 0.00 -0.37 0.00 0.00 57.07 56.97 1x51 s TYR 105 Cb -0.31 -0.54 -0.01 0.00 -0.40 0.00 0.00 41.96 40.69 1x51 s TYR 105 CO 0.28 -0.01 -0.24 0.20 -1.57 0.00 0.00 175.55 174.21 1x51 s GLY 106 N -1.34 1.32 -0.26 0.71 0.00 -0.83 -0.30 107.32 106.61 1x51 s GLY 106 Ca -0.04 -1.06 -0.06 0.00 0.00 0.00 0.00 44.72 43.56 1x51 s GLY 106 CO 0.01 -0.72 0.54 -2.27 0.00 0.00 0.00 173.10 170.66 1x51 s LEU 107 N -0.32 -0.99 -0.01 0.66 1.98 -0.29 -3.00 118.68 116.70 1x51 s LEU 107 Ca 0.01 1.09 0.01 0.00 -2.89 0.00 0.00 54.13 52.35 1x51 s LEU 107 Cb -0.12 1.86 0.01 0.00 0.66 0.00 0.00 46.19 48.59 1x51 s LEU 107 CO 0.02 -0.24 -0.02 0.00 -1.89 0.00 0.00 176.35 174.22 1x51 s ALA 108 N 2.77 0.25 -0.53 5.97 0.00 -1.26 -2.26 121.76 126.70 1x51 s ALA 108 Ca 0.04 -0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.69 1x51 s ALA 108 Cb -0.13 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1x51 s ALA 108 CO -0.17 0.02 1.36 -0.51 0.00 0.00 0.00 175.76 176.45 1x51 s LEU 109 N 0.29 3.46 0.34 0.00 1.43 -1.04 -4.88 118.68 118.27 1x51 s LEU 109 Ca -0.03 0.38 0.12 0.00 -1.03 0.00 0.00 54.13 53.58 1x51 s LEU 109 Cb -0.05 -3.21 1.05 0.00 0.03 0.00 0.00 46.19 44.01 1x51 s LEU 109 CO -0.01 -1.59 1.63 -0.08 0.23 0.00 0.00 176.35 176.53 1x51 h GLU 110 N 10.63 0.17 0.00 1.70 4.57 -1.99 -3.38 114.58 126.27 1x51 h GLU 110 Ca -0.26 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1x51 h GLU 110 Cb 1.09 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1x51 h GLU 110 CO 1.16 0.11 0.00 0.41 -1.18 0.00 0.00 179.01 179.51 1x51 n GLY 111 N -1.32 -0.72 0.00 1.92 0.00 -1.26 -4.88 105.19 98.93 1x51 n GLY 111 Ca 0.30 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.71 1.61 6.02 -1.26 -5.06 117.38 114.98 1x51 n GLN 112 Ca 0.00 0.10 -0.12 0.00 -0.01 0.00 0.00 57.00 56.98 1x51 n GLN 112 Cb 0.00 -0.59 -0.10 0.00 1.02 0.00 0.00 30.24 30.57 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 -0.97 -0.01 0.94 5.09 -4.23 -1.26 -5.17 115.64 110.03 1x51 s THR 113 Ca 0.00 0.04 -0.12 0.00 -1.18 0.00 0.00 61.69 60.43 1x51 s THR 113 Cb 0.00 -0.61 0.15 0.00 1.34 0.00 0.00 72.50 73.38 1x51 s THR 113 CO 0.00 0.02 1.09 -2.16 -0.54 0.00 0.00 174.62 173.03 1x51 s PRO 114 N 0.81 0.90 -0.24 3.99 0.04 -1.26 -5.02 135.00 134.22 1x51 s PRO 114 Ca -0.05 0.69 -0.02 0.00 0.04 0.00 0.00 61.00 61.66 1x51 s PRO 114 Cb -0.06 -1.78 -0.17 0.00 0.04 0.00 0.00 34.50 32.53 1x51 s PRO 114 CO -0.06 -2.45 -0.17 1.55 0.04 0.00 0.00 177.00 175.91 1x51 n VAL 115 N -4.01 1.53 -3.08 -0.36 3.14 -1.26 -4.95 118.33 109.34 1x51 n VAL 115 Ca 0.06 -0.54 -0.19 0.00 -2.96 0.00 0.00 64.34 60.71 1x51 n VAL 115 Cb 0.56 -1.54 -0.04 0.00 -1.06 0.00 0.00 33.84 31.77 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 -3.46 0.00 -3.64 1.55 -2.24 -1.26 -4.81 114.28 100.42 1x51 n THR 116 Ca -0.45 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.30 1x51 n THR 116 Cb 0.98 -0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.93 1x51 n THR 116 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x51 s THR 117 N -2.23 -0.63 -0.08 4.28 2.01 -1.26 -5.16 115.64 112.57 1x51 s THR 117 Ca 0.37 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.30 1x51 s THR 117 Cb -0.22 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.32 1x51 s THR 117 CO 0.46 0.00 0.21 0.54 -0.69 0.00 0.00 174.62 175.14 1x51 s VAL 118 N 2.43 -0.01 1.00 3.82 0.11 -1.26 -4.53 120.40 121.96 1x51 s VAL 118 Ca -0.07 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.88 1x51 s VAL 118 Cb -0.09 -0.31 0.19 0.00 -1.53 0.00 0.00 36.38 34.64 1x51 s VAL 118 CO -0.19 0.01 1.09 -2.16 -3.33 0.00 0.00 175.10 170.52 1x51 s PRO 119 N 0.32 0.45 -0.33 1.54 0.04 -1.26 -4.94 135.00 130.82 1x51 s PRO 119 Ca -0.02 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 61.27 1x51 s PRO 119 Cb -0.03 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 1x51 s PRO 119 CO -0.01 -2.72 1.69 -1.25 0.04 0.00 0.00 177.00 174.75 1x51 s PRO 120 N -4.96 3.45 0.00 0.56 0.04 -1.26 -2.93 135.00 129.90 1x51 s PRO 120 Ca 0.65 1.36 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1x51 s PRO 120 Cb -0.19 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1x51 s PRO 120 CO 0.58 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 176.31 1x51 n GLY 121 N 5.26 1.36 3.80 0.56 0.00 -1.26 -5.12 105.19 109.79 1x51 n GLY 121 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.63 3.64 0.03 4.61 0.00 -1.15 -3.12 121.76 125.13 1x51 s ALA 122 Ca 0.00 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.29 1x51 s ALA 122 Cb 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 1x51 s ALA 122 CO 0.00 0.63 -0.22 0.50 0.00 0.00 0.00 175.76 176.67 1x51 s ARG 123 N -1.19 1.58 -0.41 0.00 3.52 0.69 -4.84 118.95 118.29 1x51 s ARG 123 Ca 0.17 -0.93 -0.07 0.00 -0.13 0.00 0.00 55.73 54.77 1x51 s ARG 123 Cb -0.12 -1.65 0.09 0.00 -1.56 0.00 0.00 34.95 31.71 1x51 s ARG 123 CO 0.07 0.43 0.23 -1.58 -0.81 0.00 0.00 175.30 173.64 1x51 s TRP 124 N -0.72 3.41 0.35 5.12 0.52 -1.26 0.21 118.94 126.57 1x51 s TRP 124 Ca 0.09 -1.85 0.05 0.00 0.02 0.00 0.00 56.10 54.41 1x51 s TRP 124 Cb -0.09 -3.03 -0.07 0.00 -1.15 0.00 0.00 33.47 29.13 1x51 s TRP 124 CO 0.01 -0.90 0.04 -0.48 0.02 0.00 0.00 176.95 175.64 1x51 s LEU 125 N 1.32 2.44 0.79 2.99 0.05 -0.62 -4.96 118.68 120.70 1x51 s LEU 125 Ca 0.04 -1.37 -0.10 0.00 0.05 0.00 0.00 54.13 52.75 1x51 s LEU 125 Cb -0.23 -0.57 0.10 0.00 -2.05 0.00 0.00 46.19 43.43 1x51 s LEU 125 CO -0.00 -0.55 1.13 0.42 -0.55 0.00 0.00 176.35 176.81 1x51 s THR 126 N -3.08 2.11 0.16 5.48 -4.23 -1.26 -0.19 115.64 114.63 1x51 s THR 126 Ca 0.36 -0.13 -0.16 0.00 -1.18 0.00 0.00 61.69 60.58 1x51 s THR 126 Cb 0.09 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.98 1x51 s THR 126 CO 0.16 0.00 1.79 1.56 -0.54 0.00 0.00 174.62 177.59 1x51 h GLN 127 N -0.97 0.42 -0.29 3.99 7.50 -1.92 -1.52 115.11 122.33 1x51 h GLN 127 Ca -0.45 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 58.67 1x51 h GLN 127 Cb 1.30 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.73 1x51 h GLN 127 CO 0.57 0.28 0.13 0.93 -1.50 0.00 0.00 178.83 179.25 1x51 h GLU 128 N 0.44 0.42 -0.13 1.46 4.39 -1.95 -2.28 114.58 116.92 1x51 h GLU 128 Ca 0.16 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.84 1x51 h GLU 128 Cb 0.04 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1x51 h GLU 128 CO -0.09 0.41 0.10 0.93 -1.16 0.00 0.00 179.01 179.20 1x51 h GLU 129 N 0.32 0.00 -0.20 2.33 4.39 -1.86 -1.97 114.58 117.60 1x51 h GLU 129 Ca 0.10 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 1x51 h GLU 129 Cb 0.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1x51 h GLU 129 CO -0.01 0.00 -0.14 0.35 -1.16 0.00 0.00 179.01 178.05 1x51 h PHE 130 N 0.00 0.52 -0.15 4.33 3.04 -0.71 -1.27 116.94 122.70 1x51 h PHE 130 Ca 0.06 -0.14 0.05 0.00 3.98 0.00 0.00 57.97 61.92 1x51 h PHE 130 Cb 0.27 -0.11 -0.07 0.00 2.56 0.00 0.00 35.95 38.60 1x51 h PHE 130 CO 0.00 0.77 -0.38 0.45 -2.02 0.00 0.00 178.31 177.13 1x51 h HIS 131 N 0.12 -1.07 -0.47 0.41 3.86 -1.07 -2.27 115.15 114.66 1x51 h HIS 131 Ca 0.04 0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1x51 h HIS 131 Cb 0.65 0.49 -0.02 0.00 1.06 0.00 0.00 27.41 29.60 1x51 h HIS 131 CO 0.07 -0.44 0.12 1.79 0.86 0.00 0.00 177.93 180.33 1x51 h THR 132 N -0.45 1.23 -2.38 2.45 1.35 -1.59 -3.45 112.91 110.08 1x51 h THR 132 Ca 0.09 -0.81 -0.60 0.00 -0.55 0.00 0.00 66.41 64.54 1x51 h THR 132 Cb 0.60 0.88 0.16 0.00 -1.73 0.00 0.00 68.15 68.05 1x51 h THR 132 CO -0.39 0.29 -0.59 0.00 -0.25 0.00 0.00 175.52 174.57 1x51 n ALA 133 N -2.37 -1.85 -1.79 6.62 0.00 -0.48 -4.74 120.51 115.91 1x51 n ALA 133 Ca 0.01 0.07 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 1x51 n ALA 133 Cb 0.21 -1.69 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 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 -1.66 1.94 0.02 0.00 0.00 -1.26 -4.94 121.76 115.86 1x51 s ALA 134 Ca 0.63 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.40 1x51 s ALA 134 Cb -0.54 -4.31 -0.02 0.00 0.00 0.00 0.00 23.12 18.25 1x51 s ALA 134 CO 0.59 -4.10 -0.13 0.08 0.00 0.00 0.00 175.76 172.20 1x51 s VAL 135 N 10.54 0.99 0.66 0.00 1.01 -1.26 -2.13 120.40 130.21 1x51 s VAL 135 Ca 0.84 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 1x51 s VAL 135 Cb -0.16 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1x51 s VAL 135 CO 0.24 0.11 1.14 -0.44 0.00 0.00 0.00 175.10 176.15 1x51 s SER 136 N -0.74 4.98 0.14 3.32 0.01 -1.26 -4.75 113.70 115.40 1x51 s SER 136 Ca 0.02 2.11 -0.29 0.00 1.31 0.00 0.00 55.95 59.11 1x51 s SER 136 Cb -0.06 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 1x51 s SER 136 CO 0.00 -1.72 1.57 0.74 0.41 0.00 0.00 173.24 174.24 1x51 h THR 137 N 0.13 0.10 0.02 1.44 2.02 -2.00 0.21 112.91 114.81 1x51 h THR 137 Ca -0.47 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.72 1x51 h THR 137 Cb 1.26 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1x51 h THR 137 CO 0.53 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 176.05 1x51 h ALA 138 N 0.25 -0.83 -0.72 6.16 0.00 -1.98 -1.44 119.26 120.71 1x51 h ALA 138 Ca 0.11 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1x51 h ALA 138 Cb 0.60 0.81 -0.12 0.00 0.00 0.00 0.00 17.79 19.09 1x51 h ALA 138 CO -0.53 -0.94 0.09 0.52 0.00 0.00 0.00 179.25 178.40 1x51 h MET 139 N -0.48 0.18 -0.48 0.00 2.07 -1.85 0.52 114.93 114.89 1x51 h MET 139 Ca 0.01 -0.01 0.14 0.00 -2.07 0.00 0.00 59.70 57.76 1x51 h MET 139 Cb 0.51 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.18 1x51 h MET 139 CO -0.24 0.12 0.34 0.87 1.07 0.00 0.00 176.91 179.07 1x51 h LYS 140 N 0.19 0.00 -0.03 1.72 1.57 0.15 0.10 116.57 120.26 1x51 h LYS 140 Ca 0.40 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.96 1x51 h LYS 140 Cb 0.69 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1x51 h LYS 140 CO -0.56 0.00 -0.88 0.87 -0.57 0.00 0.00 179.45 178.31 1x51 h LYS 141 N 0.00 0.45 -0.39 3.15 1.57 0.11 -3.13 116.57 118.32 1x51 h LYS 141 Ca 0.23 -0.44 0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1x51 h LYS 141 Cb 0.91 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1x51 h LYS 141 CO -0.00 1.09 0.46 0.28 -0.57 0.00 0.00 179.45 180.71 1x51 h VAL 142 N 0.27 0.33 0.00 0.50 2.07 -0.36 -1.35 116.25 117.72 1x51 h VAL 142 Ca -0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1x51 h VAL 142 Cb 1.51 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1x51 h VAL 142 CO 0.16 0.00 -0.00 0.15 0.02 0.00 0.00 177.57 177.89 1x51 h PHE 143 N 0.00 -0.01 -1.20 1.57 3.57 -1.55 -2.96 116.94 116.37 1x51 h PHE 143 Ca 0.19 -0.00 0.38 0.00 3.53 0.00 0.00 57.97 62.07 1x51 h PHE 143 Cb 1.09 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.71 1x51 h PHE 143 CO 0.00 -0.00 0.75 0.07 -2.23 0.00 0.00 178.31 176.90 1x51 h ARG 144 N -0.26 0.17 -0.19 1.11 0.11 -1.56 0.49 114.38 114.25 1x51 h ARG 144 Ca -0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 1x51 h ARG 144 Cb 0.00 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.04 1x51 h ARG 144 CO 0.00 0.11 -0.04 0.28 0.10 0.00 0.00 179.97 180.43 1x51 h VAL 145 N 0.18 1.28 -0.49 0.08 2.07 -1.38 -2.65 116.25 115.34 1x51 h VAL 145 Ca 0.76 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1x51 h VAL 145 Cb 2.21 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 33.50 1x51 h VAL 145 CO -0.44 0.30 0.31 0.22 0.02 0.00 0.00 177.57 177.98 1x51 h TYR 146 N 0.09 0.63 0.09 1.57 3.20 0.09 -3.00 116.97 119.63 1x51 h TYR 146 Ca 0.05 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1x51 h TYR 146 Cb 0.47 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1x51 h TYR 146 CO 0.05 0.42 -0.26 1.96 -1.64 0.00 0.00 178.16 178.69 1x51 h GLN 147 N 0.65 -0.43 -0.74 1.82 1.08 -1.16 -2.93 115.11 113.41 1x51 h GLN 147 Ca 0.18 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.49 1x51 h GLN 147 Cb -0.04 0.10 -0.10 0.00 -0.05 0.00 0.00 27.48 27.39 1x51 h GLN 147 CO -0.04 -0.28 -0.39 0.41 -0.95 0.00 0.00 178.83 177.58 1x51 n GLY 148 N -1.37 -1.80 3.50 3.46 0.00 -1.00 -3.02 105.19 104.95 1x51 n GLY 148 Ca -0.06 0.86 -0.42 0.00 0.00 0.00 0.00 46.02 46.40 1x51 n GLY 148 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x51 s GLN 149 N -5.46 3.46 0.06 1.61 -0.21 -1.11 -4.94 119.66 113.08 1x51 s GLN 149 Ca -0.09 -1.20 -0.27 0.00 0.02 0.00 0.00 55.36 53.82 1x51 s GLN 149 Cb 0.10 -4.86 0.07 0.00 1.00 0.00 0.00 33.01 29.32 1x51 s GLN 149 CO 0.48 -1.97 0.63 -1.12 -2.12 0.00 0.00 175.29 171.18 1x51 s SER 150 N 4.12 -0.61 1.37 5.90 0.01 -1.17 -4.95 113.70 118.37 1x51 s SER 150 Ca 0.36 0.33 -0.21 0.00 1.31 0.00 0.00 55.95 57.73 1x51 s SER 150 Cb -0.06 0.57 0.32 0.00 0.21 0.00 0.00 66.02 67.07 1x51 s SER 150 CO -0.03 -0.80 0.85 0.61 0.41 0.00 0.00 173.24 174.28 1x51 n GLY 151 N 0.22 -3.55 0.00 3.44 0.00 -1.26 -4.83 105.19 99.20 1x51 n GLY 151 Ca -0.18 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.54 1x51 n GLY 151 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x51 n PRO 152 N -5.16 0.49 -1.13 1.61 -0.04 -1.26 -4.88 135.00 124.63 1x51 n PRO 152 Ca 0.13 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.15 1x51 n PRO 152 Cb 0.54 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.58 1x51 n PRO 152 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x51 n SER 153 N -0.86 0.39 -4.06 3.54 2.88 -1.26 -4.78 113.62 109.48 1x51 n SER 153 Ca 0.08 0.82 -0.36 0.00 -1.33 0.00 0.00 58.87 58.08 1x51 n SER 153 Cb 0.04 -0.63 0.05 0.00 -0.75 0.00 0.00 64.21 62.92 1x51 n SER 153 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x51 n SER 154 N 1.86 -4.42 0.00 -3.46 2.88 -1.26 -5.18 113.62 104.04 1x51 n SER 154 Ca 0.18 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1x51 n SER 154 Cb 0.01 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1x51 n SER 154 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42