#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 -0.33 -0.11 1.61 0.01 -1.26 -5.09 113.70 108.53 1x51 s SER 2 Ca 0.00 -0.39 -0.03 0.00 1.31 0.00 0.00 55.95 56.84 1x51 s SER 2 Cb 0.00 0.64 -0.01 0.00 0.21 0.00 0.00 66.02 66.86 1x51 s SER 2 CO 0.00 -1.14 -0.06 0.28 0.41 0.00 0.00 173.24 172.72 1x51 h SER 3 N 2.00 0.00 0.00 2.44 0.02 -2.06 -3.50 113.55 112.45 1x51 h SER 3 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1x51 h SER 3 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1x51 h SER 3 CO 0.28 0.58 0.00 0.61 -1.14 0.00 0.00 176.83 177.15 1x51 n GLY 4 N 1.73 1.05 3.93 -3.77 0.00 -1.26 -4.94 105.19 101.93 1x51 n GLY 4 Ca -0.03 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 1x51 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x51 n SER 5 N 1.97 -0.90 -3.58 1.61 7.64 -1.26 -4.93 113.62 114.17 1x51 n SER 5 Ca 0.00 -0.97 -0.05 0.00 1.01 0.00 0.00 58.87 58.86 1x51 n SER 5 Cb 0.00 -3.23 -0.02 0.00 -1.01 0.00 0.00 64.21 59.95 1x51 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x51 s SER 6 N -4.23 -0.18 0.00 6.43 0.01 -1.26 -5.15 113.70 109.32 1x51 s SER 6 Ca 0.10 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1x51 s SER 6 Cb -0.05 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1x51 s SER 6 CO 0.88 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.83 1x51 n GLY 7 N -0.12 -2.82 3.59 3.44 0.00 -1.26 -4.43 105.19 103.59 1x51 n GLY 7 Ca -0.01 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 3.32 0.64 1.61 0.04 -1.26 -4.84 135.00 134.51 1x51 s PRO 8 Ca 0.00 1.24 -0.10 0.00 0.04 0.00 0.00 61.00 62.17 1x51 s PRO 8 Cb 0.00 -4.18 -0.02 0.00 0.04 0.00 0.00 34.50 30.35 1x51 s PRO 8 CO 0.00 -1.88 1.03 1.03 0.04 0.00 0.00 177.00 177.22 1x51 s ARG 9 N 5.63 3.27 -0.08 4.56 1.81 -1.26 -4.78 118.95 128.09 1x51 s ARG 9 Ca 0.74 0.54 -0.31 0.00 -1.72 0.00 0.00 55.73 54.98 1x51 s ARG 9 Cb -0.19 -2.10 0.12 0.00 -0.45 0.00 0.00 34.95 32.33 1x51 s ARG 9 CO 0.32 -0.73 1.02 0.21 -0.68 0.00 0.00 175.30 175.45 1x51 s LYS 10 N -5.20 0.61 0.13 3.54 2.47 -1.26 -4.88 119.74 115.14 1x51 s LYS 10 Ca 0.55 -0.22 -0.19 0.00 -1.56 0.00 0.00 55.97 54.55 1x51 s LYS 10 Cb -0.11 0.28 0.02 0.00 -1.46 0.00 0.00 37.83 36.56 1x51 s LYS 10 CO 0.52 -0.27 1.08 0.00 0.16 0.00 0.00 175.35 176.84 1x51 n ALA 11 N -0.18 -0.33 -2.21 3.13 0.00 -1.26 -0.24 120.51 119.42 1x51 n ALA 11 Ca -0.05 0.63 -0.30 0.00 0.00 0.00 0.00 53.44 53.72 1x51 n ALA 11 Cb 0.60 -0.17 0.02 0.00 0.00 0.00 0.00 19.45 19.90 1x51 n ALA 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x51 n SER 12 N -4.93 5.60 -3.44 0.00 2.88 -1.26 -4.90 113.62 107.58 1x51 n SER 12 Ca 0.03 -3.76 -0.20 0.00 -1.33 0.00 0.00 58.87 53.61 1x51 n SER 12 Cb 0.21 -0.62 -0.04 0.00 -0.75 0.00 0.00 64.21 63.02 1x51 n SER 12 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x51 n ARG 13 N -0.56 -1.87 -1.39 -1.46 1.74 0.67 -4.82 116.66 108.97 1x51 n ARG 13 Ca 0.45 0.07 -0.36 0.00 -0.77 0.00 0.00 57.85 57.23 1x51 n ARG 13 Cb 0.60 -4.51 0.08 0.00 -1.02 0.00 0.00 32.46 27.62 1x51 n ARG 13 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x51 n LYS 14 N -3.19 0.54 -1.16 5.56 4.76 -1.26 -4.86 118.16 118.55 1x51 n LYS 14 Ca 0.06 0.24 -0.29 0.00 -2.87 0.00 0.00 58.31 55.45 1x51 n LYS 14 Cb 0.47 -2.16 0.18 0.00 -1.84 0.00 0.00 35.03 31.67 1x51 n LYS 14 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1x51 s PRO 15 N -3.16 0.35 0.48 1.97 0.04 -1.26 -4.72 135.00 128.70 1x51 s PRO 15 Ca 0.73 0.49 0.27 0.00 0.04 0.00 0.00 61.00 62.53 1x51 s PRO 15 Cb -0.36 -1.73 1.14 0.00 0.04 0.00 0.00 34.50 33.59 1x51 s PRO 15 CO 0.51 -2.78 1.91 -1.00 0.04 0.00 0.00 177.00 175.68 1x51 h PRO 16 N -1.93 0.00 -0.70 0.56 0.13 -1.93 -3.32 132.00 124.81 1x51 h PRO 16 Ca -0.55 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.65 1x51 h PRO 16 Cb 1.33 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.38 1x51 h PRO 16 CO 0.58 0.16 -0.40 0.54 -0.23 0.00 0.00 178.00 178.64 1x51 n ARG 17 N -3.37 -0.30 -3.13 0.86 1.74 -1.26 -3.14 116.66 108.07 1x51 n ARG 17 Ca -0.00 1.06 -0.45 0.00 -0.77 0.00 0.00 57.85 57.69 1x51 n ARG 17 Cb 0.36 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 30.19 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 -5.38 3.04 -0.13 5.56 1.03 -1.25 -1.82 118.70 119.75 1x51 s GLU 18 Ca -0.09 -1.34 -0.04 0.00 0.03 0.00 0.00 54.97 53.54 1x51 s GLU 18 Cb 0.08 -4.26 0.05 0.00 -0.80 0.00 0.00 34.13 29.20 1x51 s GLU 18 CO 0.44 -1.51 0.10 -1.21 -1.33 0.00 0.00 175.26 171.74 1x51 s GLU 19 N 2.59 0.03 -0.02 -4.83 2.02 -1.19 -4.96 118.70 112.35 1x51 s GLU 19 Ca 0.11 0.11 0.08 0.00 0.02 0.00 0.00 54.97 55.29 1x51 s GLU 19 Cb -0.25 -1.30 -0.02 0.00 0.10 0.00 0.00 34.13 32.66 1x51 s GLU 19 CO 0.06 -0.55 -0.26 -1.12 0.02 0.00 0.00 175.26 173.42 1x51 s SER 20 N 2.17 3.00 0.06 -0.19 0.01 -1.26 -1.66 113.70 115.83 1x51 s SER 20 Ca 0.03 -0.46 -0.23 0.00 1.31 0.00 0.00 55.95 56.60 1x51 s SER 20 Cb -0.15 -0.33 0.05 0.00 0.21 0.00 0.00 66.02 65.80 1x51 s SER 20 CO -0.07 0.31 0.53 -0.44 0.41 0.00 0.00 173.24 173.99 1x51 s SER 21 N -0.61 -0.46 -0.21 2.44 0.01 -0.34 -2.68 113.70 111.86 1x51 s SER 21 Ca 0.10 0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.52 1x51 s SER 21 Cb -0.10 0.51 0.02 0.00 0.21 0.00 0.00 66.02 66.66 1x51 s SER 21 CO -0.01 -0.75 -0.12 0.00 0.41 0.00 0.00 173.24 172.77 1x51 s ALA 22 N -2.60 2.56 0.10 1.44 0.00 -0.41 -1.75 121.76 121.10 1x51 s ALA 22 Ca -0.04 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.66 1x51 s ALA 22 Cb -0.01 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 1x51 s ALA 22 CO -0.03 -0.55 -0.01 -0.08 0.00 0.00 0.00 175.76 175.09 1x51 s THR 23 N 1.33 3.93 0.02 0.00 -1.32 -0.86 -1.18 115.64 117.57 1x51 s THR 23 Ca 0.03 -1.04 0.02 0.00 -1.21 0.00 0.00 61.69 59.49 1x51 s THR 23 Cb -0.15 -2.88 -0.01 0.00 -1.51 0.00 0.00 72.50 67.95 1x51 s THR 23 CO -0.08 0.11 -0.07 0.00 -2.21 0.00 0.00 174.62 172.36 1x51 s VAL 25 N -0.71 5.18 -0.32 0.00 1.01 0.84 -4.49 120.40 121.90 1x51 s VAL 25 Ca -0.03 0.62 -0.10 0.00 0.00 0.00 0.00 61.98 62.48 1x51 s VAL 25 Cb -0.06 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 1x51 s VAL 25 CO 0.00 0.19 0.17 -0.22 0.00 0.00 0.00 175.10 175.24 1x51 s LEU 26 N 1.80 4.24 0.23 3.92 2.96 -1.25 -1.42 118.68 129.17 1x51 s LEU 26 Ca 0.16 -0.62 0.11 0.00 -0.22 0.00 0.00 54.13 53.57 1x51 s LEU 26 Cb -0.15 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 1x51 s LEU 26 CO 0.09 -0.23 -0.21 -0.70 -1.32 0.00 0.00 176.35 173.97 1x51 s GLU 27 N 1.60 1.55 -0.10 1.98 2.12 -0.93 -0.99 118.70 123.93 1x51 s GLU 27 Ca 0.04 -1.63 -0.05 0.00 0.36 0.00 0.00 54.97 53.70 1x51 s GLU 27 Cb -0.17 -1.71 0.05 0.00 0.26 0.00 0.00 34.13 32.55 1x51 s GLU 27 CO 0.06 0.34 0.23 -0.65 -0.54 0.00 0.00 175.26 174.70 1x51 s GLN 28 N -3.12 0.18 -0.17 4.30 -0.21 -0.62 -2.30 119.66 117.71 1x51 s GLN 28 Ca 0.24 0.52 -0.29 0.00 0.02 0.00 0.00 55.36 55.85 1x51 s GLN 28 Cb -0.06 -0.13 -0.03 0.00 1.00 0.00 0.00 33.01 33.79 1x51 s GLN 28 CO 0.12 -0.18 1.57 -1.25 -2.12 0.00 0.00 175.29 173.43 1x51 s PRO 29 N 1.35 3.95 0.23 2.91 0.04 -1.26 -2.73 135.00 139.49 1x51 s PRO 29 Ca -0.08 1.79 0.05 0.00 0.04 0.00 0.00 61.00 62.79 1x51 s PRO 29 Cb -0.11 -3.98 -0.05 0.00 0.04 0.00 0.00 34.50 30.40 1x51 s PRO 29 CO -0.08 -1.10 -0.04 0.20 0.04 0.00 0.00 177.00 176.02 1x51 s GLY 30 N 3.68 1.53 0.08 0.56 0.00 -1.17 -4.98 107.32 107.02 1x51 s GLY 30 Ca 0.69 -1.75 -0.16 0.00 0.00 0.00 0.00 44.72 43.51 1x51 s GLY 30 CO 0.27 -1.70 1.10 0.00 0.00 0.00 0.00 173.10 172.78 1x51 n ALA 31 N -0.42 -0.33 -0.32 3.20 0.00 -1.26 0.12 120.51 121.50 1x51 n ALA 31 Ca -0.06 0.44 0.21 0.00 0.00 0.00 0.00 53.44 54.02 1x51 n ALA 31 Cb 0.63 0.08 0.42 0.00 0.00 0.00 0.00 19.45 20.58 1x51 n ALA 31 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1x51 h LEU 32 N 0.00 0.17 0.00 0.00 3.38 -2.00 -3.45 115.31 113.41 1x51 h LEU 32 Ca 0.08 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1x51 h LEU 32 Cb 0.21 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1x51 h LEU 32 CO -0.48 -0.24 0.00 0.61 0.09 0.00 0.00 178.44 178.42 1x51 n GLY 33 N -1.34 0.52 3.57 0.83 0.00 0.32 -5.12 105.19 103.96 1x51 n GLY 33 Ca 0.29 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 1x51 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x51 s ALA 34 N 0.00 -1.81 -0.14 4.61 0.00 -1.26 -3.02 121.76 120.14 1x51 s ALA 34 Ca 0.00 1.60 -0.08 0.00 0.00 0.00 0.00 51.96 53.48 1x51 s ALA 34 Cb 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.63 1x51 s ALA 34 CO 0.00 -0.34 0.35 -1.14 0.00 0.00 0.00 175.76 174.63 1x51 s GLN 35 N -0.62 0.34 0.52 0.00 0.74 -1.10 -4.59 119.66 114.94 1x51 s GLN 35 Ca -0.06 0.66 0.09 0.00 0.05 0.00 0.00 55.36 56.10 1x51 s GLN 35 Cb -0.02 -0.02 0.05 0.00 1.10 0.00 0.00 33.01 34.12 1x51 s GLN 35 CO 0.05 -0.14 0.66 0.96 -0.55 0.00 0.00 175.29 176.27 1x51 s ILE 36 N 1.17 2.36 0.07 -2.34 -4.36 0.18 -1.59 121.20 116.70 1x51 s ILE 36 Ca -0.08 -1.08 0.03 0.00 -0.26 0.00 0.00 60.65 59.26 1x51 s ILE 36 Cb -0.08 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 1x51 s ILE 36 CO -0.09 0.00 0.05 -0.22 0.24 0.00 0.00 174.94 174.91 1x51 s LEU 37 N -4.50 3.67 -0.10 0.37 2.96 -0.16 -1.29 118.68 119.63 1x51 s LEU 37 Ca 0.56 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1x51 s LEU 37 Cb -0.06 -2.32 0.05 0.00 0.50 0.00 0.00 46.19 44.35 1x51 s LEU 37 CO 0.35 0.19 0.22 -0.22 -1.32 0.00 0.00 176.35 175.57 1x51 s LEU 38 N -2.22 0.09 0.07 -0.68 2.96 0.17 -4.72 118.68 114.37 1x51 s LEU 38 Ca 0.27 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 1x51 s LEU 38 Cb -0.12 0.57 -0.04 0.00 0.50 0.00 0.00 46.19 47.10 1x51 s LEU 38 CO 0.19 -0.21 0.12 0.68 -1.32 0.00 0.00 176.35 175.82 1x51 s VAL 39 N 1.89 4.82 0.27 1.68 -7.23 -1.06 0.29 120.40 121.05 1x51 s VAL 39 Ca -0.03 -0.65 0.04 0.00 -1.81 0.00 0.00 61.98 59.54 1x51 s VAL 39 Cb -0.11 -3.34 -0.03 0.00 0.56 0.00 0.00 36.38 33.46 1x51 s VAL 39 CO -0.08 0.13 0.40 -1.58 -0.31 0.00 0.00 175.10 173.66 1x51 s GLN 40 N -2.44 3.43 0.16 4.82 0.74 -1.07 -0.91 119.66 124.39 1x51 s GLN 40 Ca 0.31 -0.70 -0.07 0.00 0.05 0.00 0.00 55.36 54.96 1x51 s GLN 40 Cb -0.12 -2.84 -0.06 0.00 1.10 0.00 0.00 33.01 31.08 1x51 s GLN 40 CO 0.24 0.36 0.43 1.03 -0.55 0.00 0.00 175.29 176.80 1x51 s ARG 41 N -4.05 3.69 0.94 1.67 0.52 -1.03 -4.95 118.95 115.73 1x51 s ARG 41 Ca 0.36 0.05 -0.12 0.00 -0.52 0.00 0.00 55.73 55.50 1x51 s ARG 41 Cb -0.09 -2.80 0.15 0.00 0.52 0.00 0.00 34.95 32.73 1x51 s ARG 41 CO 0.30 0.43 1.09 -1.25 0.02 0.00 0.00 175.30 175.90 1x51 s PRO 42 N -2.64 0.93 0.16 3.54 0.04 -1.26 -3.94 135.00 131.82 1x51 s PRO 42 Ca 0.42 0.70 -0.28 0.00 0.04 0.00 0.00 61.00 61.88 1x51 s PRO 42 Cb -0.12 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 1x51 s PRO 42 CO 0.23 -2.43 1.56 -0.97 0.04 0.00 0.00 177.00 175.43 1x51 h ASN 43 N -1.68 -1.65 -3.57 6.66 -1.24 -1.98 -3.38 115.58 108.74 1x51 h ASN 43 Ca -0.51 0.25 -0.52 0.00 0.71 0.00 0.00 56.30 56.23 1x51 h ASN 43 Cb 1.30 0.72 -0.03 0.00 0.73 0.00 0.00 38.32 41.05 1x51 h ASN 43 CO 0.56 -0.35 0.23 -0.55 -1.29 0.00 0.00 177.43 176.03 1x51 s SER 44 N -5.15 7.44 0.00 1.15 0.15 -1.26 -4.62 113.70 111.40 1x51 s SER 44 Ca -0.14 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.21 1x51 s SER 44 Cb 0.12 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1x51 s SER 44 CO 0.65 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.84 1x51 n GLY 45 N 1.74 4.02 2.79 9.45 0.00 -1.26 -4.93 105.19 117.00 1x51 n GLY 45 Ca -0.04 -0.87 -0.46 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.11 -3.49 0.99 4.77 -1.26 0.10 117.00 118.00 1x51 n LEU 46 Ca 0.00 0.93 -0.23 0.00 -0.03 0.00 0.00 56.01 56.67 1x51 n LEU 46 Cb 0.00 -0.74 0.08 0.00 -2.33 0.00 0.00 43.42 40.43 1x51 n LEU 46 CO 0.00 -1.62 0.23 0.18 -1.33 0.00 0.00 177.39 174.85 1x51 n LEU 47 N 1.24 -3.33 -4.76 2.23 4.77 -1.26 -4.93 117.00 110.96 1x51 n LEU 47 Ca 0.16 -0.51 -0.40 0.00 -0.03 0.00 0.00 56.01 55.23 1x51 n LEU 47 Cb 0.08 -2.98 0.02 0.00 -2.33 0.00 0.00 43.42 38.21 1x51 n LEU 47 CO 0.48 0.62 1.07 0.00 -1.33 0.00 0.00 177.39 178.23 1x51 s ALA 48 N -3.30 3.20 0.00 -1.18 0.00 0.11 -3.08 121.76 117.51 1x51 s ALA 48 Ca 0.56 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1x51 s ALA 48 Cb -0.25 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1x51 s ALA 48 CO 0.69 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.61 1x51 n GLY 49 N 0.59 0.66 3.42 0.00 0.00 -1.25 -5.05 105.19 103.55 1x51 n GLY 49 Ca 0.06 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 2.49 0.08 0.99 2.01 -1.18 -4.94 118.68 118.13 1x51 s LEU 50 Ca 0.00 -0.38 -0.18 0.00 0.01 0.00 0.00 54.13 53.58 1x51 s LEU 50 Cb 0.00 -1.47 -0.07 0.00 0.01 0.00 0.00 46.19 44.66 1x51 s LEU 50 CO 0.00 0.30 0.54 0.26 1.01 0.00 0.00 176.35 178.46 1x51 s TRP 51 N -0.79 3.75 -0.09 0.29 0.52 -1.00 -2.45 118.94 119.18 1x51 s TRP 51 Ca 0.12 1.19 -0.30 0.00 0.02 0.00 0.00 56.10 57.13 1x51 s TRP 51 Cb -0.10 -2.44 0.11 0.00 -1.15 0.00 0.00 33.47 29.88 1x51 s TRP 51 CO 0.02 0.56 0.88 -1.83 0.02 0.00 0.00 176.95 176.60 1x51 s GLU 52 N -1.28 0.79 0.52 4.98 -1.05 -0.08 -4.11 118.70 118.46 1x51 s GLU 52 Ca 0.30 0.07 -0.21 0.00 -0.15 0.00 0.00 54.97 54.97 1x51 s GLU 52 Cb -0.18 0.37 -0.07 0.00 -0.44 0.00 0.00 34.13 33.80 1x51 s GLU 52 CO 0.18 -0.27 1.02 1.19 0.95 0.00 0.00 175.26 178.33 1x51 n PHE 53 N 0.55 1.10 -2.25 4.83 3.72 -1.26 -2.57 117.46 121.59 1x51 n PHE 53 Ca -0.13 0.48 -0.40 0.00 -0.05 0.00 0.00 57.45 57.36 1x51 n PHE 53 Cb 0.59 -2.20 -0.02 0.00 -0.94 0.00 0.00 39.48 36.90 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 -2.43 4.27 0.07 -1.08 0.04 -1.26 -4.85 135.00 129.76 1x51 s PRO 54 Ca 0.69 1.98 -0.09 0.00 0.04 0.00 0.00 61.00 63.63 1x51 s PRO 54 Cb -0.47 -2.92 -0.00 0.00 0.04 0.00 0.00 34.50 31.15 1x51 s PRO 54 CO 0.52 -0.18 0.18 -1.54 0.04 0.00 0.00 177.00 176.02 1x51 s SER 55 N -0.84 0.10 0.53 6.66 1.04 -1.26 -2.86 113.70 117.07 1x51 s SER 55 Ca 0.52 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 56.39 1x51 s SER 55 Cb -0.35 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1x51 s SER 55 CO 0.45 -0.66 0.03 0.68 0.98 0.00 0.00 173.24 174.72 1x51 s VAL 56 N -3.37 1.07 0.64 5.02 -7.23 -0.32 -4.90 120.40 111.30 1x51 s VAL 56 Ca 0.01 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.04 1x51 s VAL 56 Cb 0.03 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 1x51 s VAL 56 CO -0.08 0.00 1.25 0.28 -0.31 0.00 0.00 175.10 176.23 1x51 s THR 57 N -2.90 2.31 0.51 5.32 -1.32 -1.26 -1.29 115.64 117.02 1x51 s THR 57 Ca 0.03 0.19 -0.21 0.00 -1.21 0.00 0.00 61.69 60.49 1x51 s THR 57 Cb 0.00 -3.03 -0.06 0.00 -1.51 0.00 0.00 72.50 67.90 1x51 s THR 57 CO 0.02 -0.05 1.19 0.86 -2.21 0.00 0.00 174.62 174.43 1x51 s TRP 58 N -1.56 2.68 -0.03 9.09 -0.00 -1.09 -4.39 118.94 123.63 1x51 s TRP 58 Ca 0.79 1.52 0.02 0.00 -0.00 0.00 0.00 56.10 58.43 1x51 s TRP 58 Cb -0.33 -3.42 0.01 0.00 -0.00 0.00 0.00 33.47 29.73 1x51 s TRP 58 CO 0.38 -1.80 -0.07 -1.21 -0.00 0.00 0.00 176.95 174.25 1x51 s GLU 59 N -2.97 0.90 0.46 5.86 0.41 -1.26 -5.00 118.70 117.09 1x51 s GLU 59 Ca 0.69 -0.22 0.25 0.00 -0.41 0.00 0.00 54.97 55.28 1x51 s GLU 59 Cb -0.29 -0.85 1.04 0.00 -1.78 0.00 0.00 34.13 32.25 1x51 s GLU 59 CO 0.34 0.03 1.88 -1.00 -0.49 0.00 0.00 175.26 176.02 1x51 h PRO 60 N 6.71 0.00 -5.21 0.39 0.13 -1.97 -3.43 132.00 128.61 1x51 h PRO 60 Ca -0.35 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.18 1x51 h PRO 60 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1x51 h PRO 60 CO 0.48 0.21 -0.50 0.45 -0.23 0.00 0.00 178.00 178.42 1x51 s SER 61 N -6.19 6.17 0.36 1.44 0.15 -1.26 -4.97 113.70 109.40 1x51 s SER 61 Ca -0.00 0.19 0.15 0.00 0.70 0.00 0.00 55.95 56.99 1x51 s SER 61 Cb 0.11 -2.09 1.04 0.00 -1.71 0.00 0.00 66.02 63.36 1x51 s SER 61 CO 0.63 0.15 1.73 1.05 1.20 0.00 0.00 173.24 177.99 1x51 h GLU 62 N 6.93 0.43 0.17 5.44 9.09 -2.01 -1.75 114.58 132.87 1x51 h GLU 62 Ca -0.40 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 58.98 1x51 h GLU 62 Cb 1.16 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 1x51 h GLU 62 CO 0.73 0.28 -0.08 0.37 0.05 0.00 0.00 179.01 180.36 1x51 h GLN 63 N 0.44 -0.22 -0.80 1.06 4.15 -1.95 -3.13 115.11 114.66 1x51 h GLN 63 Ca 0.65 0.01 0.30 0.00 0.77 0.00 0.00 58.65 60.39 1x51 h GLN 63 Cb 1.49 0.05 -0.15 0.00 0.21 0.00 0.00 27.48 29.08 1x51 h GLN 63 CO -0.42 -0.14 0.31 1.28 -1.93 0.00 0.00 178.83 177.93 1x51 n LEU 64 N -3.16 0.17 0.12 -2.39 4.32 -0.98 0.13 117.00 115.20 1x51 n LEU 64 Ca -0.03 1.34 -0.13 0.00 -0.02 0.00 0.00 56.01 57.17 1x51 n LEU 64 Cb 0.09 -0.61 -0.07 0.00 -1.62 0.00 0.00 43.42 41.22 1x51 n LEU 64 CO 0.07 -1.46 0.78 -0.61 -1.22 0.00 0.00 177.39 174.95 1x51 h GLN 65 N 0.00 -0.28 -0.22 3.23 -0.00 -1.39 -1.92 115.11 114.53 1x51 h GLN 65 Ca 0.63 0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 59.27 1x51 h GLN 65 Cb 1.57 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 29.11 1x51 h GLN 65 CO -0.66 -0.19 0.03 0.00 0.00 0.00 0.00 178.83 178.02 1x51 h ARG 66 N -0.29 0.37 -0.38 1.69 3.08 0.11 0.36 114.38 119.31 1x51 h ARG 66 Ca -0.00 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.01 1x51 h ARG 66 Cb 0.27 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.19 1x51 h ARG 66 CO -0.02 0.52 -0.42 0.87 -1.07 0.00 0.00 179.97 179.85 1x51 h LYS 67 N 0.17 -0.32 0.08 0.04 1.57 -0.74 -2.26 116.57 115.11 1x51 h LYS 67 Ca 0.07 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1x51 h LYS 67 Cb 0.33 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1x51 h LYS 67 CO 0.00 -0.21 -0.04 0.00 -0.57 0.00 0.00 179.45 178.63 1x51 h ALA 68 N 0.42 -0.10 -1.28 3.86 0.00 -1.34 -3.00 119.26 117.82 1x51 h ALA 68 Ca 0.14 -0.28 0.40 0.00 0.00 0.00 0.00 54.91 55.16 1x51 h ALA 68 Cb 0.58 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 1x51 h ALA 68 CO -0.56 -0.24 0.89 -0.11 0.00 0.00 0.00 179.25 179.24 1x51 n LEU 69 N -4.85 0.06 0.01 0.00 7.94 0.13 0.24 117.00 120.53 1x51 n LEU 69 Ca -0.08 0.84 -0.22 0.00 -1.11 0.00 0.00 56.01 55.44 1x51 n LEU 69 Cb 0.29 -0.42 -0.14 0.00 0.53 0.00 0.00 43.42 43.69 1x51 n LEU 69 CO 0.30 -0.88 -0.52 -0.07 -1.11 0.00 0.00 177.39 175.11 1x51 h LEU 70 N 0.00 0.40 -1.94 -1.96 3.38 -1.41 -3.27 115.31 110.50 1x51 h LEU 70 Ca 0.68 -0.86 0.45 0.00 0.09 0.00 0.00 57.88 58.23 1x51 h LEU 70 Cb 2.51 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 43.06 1x51 h LEU 70 CO -0.14 1.68 1.10 0.06 0.09 0.00 0.00 178.44 181.23 1x51 h GLN 71 N -0.22 0.02 0.00 1.13 3.07 0.32 0.16 115.11 119.58 1x51 h GLN 71 Ca -0.34 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.38 1x51 h GLN 71 Cb 1.83 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.38 1x51 h GLN 71 CO 0.06 0.01 -0.20 1.49 0.09 0.00 0.00 178.83 180.29 1x51 h GLU 72 N 0.02 0.00 -0.77 0.06 4.57 -1.58 -3.32 114.58 113.56 1x51 h GLU 72 Ca 0.74 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 59.10 1x51 h GLU 72 Cb 2.92 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 31.38 1x51 h GLU 72 CO -0.04 0.44 0.05 -0.07 -1.18 0.00 0.00 179.01 178.21 1x51 h LEU 73 N -1.00 -0.26 -1.48 1.64 3.38 -1.09 0.51 115.31 117.00 1x51 h LEU 73 Ca -0.04 0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.30 1x51 h LEU 73 Cb 0.54 0.32 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 1x51 h LEU 73 CO -0.02 -0.16 0.57 1.56 0.09 0.00 0.00 178.44 180.47 1x51 h GLN 74 N 0.13 0.45 -0.58 1.13 4.20 -1.26 0.15 115.11 119.34 1x51 h GLN 74 Ca 0.43 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.20 1x51 h GLN 74 Cb 0.77 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 1x51 h GLN 74 CO -0.64 0.30 0.39 0.00 -0.67 0.00 0.00 178.83 178.20 1x51 h ARG 75 N 0.46 0.40 0.00 1.46 2.47 -0.06 -1.65 114.38 117.46 1x51 h ARG 75 Ca 0.44 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.13 1x51 h ARG 75 Cb 1.00 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 1x51 h ARG 75 CO -0.17 0.26 0.00 0.91 0.56 0.00 0.00 179.97 181.54 1x51 n TRP 76 N -4.47 0.00 0.00 3.04 7.02 0.46 -4.82 117.44 118.67 1x51 n TRP 76 Ca 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 1x51 n TRP 76 Cb 0.35 -0.28 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 1x51 n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1x51 n ALA 77 N -1.95 -0.11 0.00 6.99 0.00 -0.80 -4.04 120.51 120.60 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 1.28 0.13 3.59 0.00 0.00 -0.62 -4.52 105.19 105.05 1x51 n GLY 78 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 3.23 -0.03 1.61 0.04 -1.26 -4.19 135.00 134.41 1x51 s PRO 79 Ca 0.00 1.16 0.07 0.00 0.04 0.00 0.00 61.00 62.27 1x51 s PRO 79 Cb 0.00 -4.20 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 1x51 s PRO 79 CO 0.00 -1.98 -0.23 -0.51 0.04 0.00 0.00 177.00 174.32 1x51 s LEU 80 N 7.06 2.21 0.00 -3.56 2.01 -1.26 -4.96 118.68 120.18 1x51 s LEU 80 Ca 0.73 -0.41 -0.08 0.00 0.01 0.00 0.00 54.13 54.39 1x51 s LEU 80 Cb -0.19 -1.39 0.11 0.00 0.01 0.00 0.00 46.19 44.73 1x51 s LEU 80 CO 0.31 0.32 0.40 -0.81 1.01 0.00 0.00 176.35 177.58 1x51 n PRO 81 N 2.43 -1.81 0.06 1.29 -0.04 -1.26 -5.06 135.00 130.61 1x51 n PRO 81 Ca -0.16 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 1x51 n PRO 81 Cb 0.51 -0.60 0.00 0.00 -0.04 0.00 0.00 33.50 33.37 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 -3.69 3.00 0.23 0.55 0.00 -1.26 -4.85 120.51 114.49 1x51 n ALA 82 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 1x51 n ALA 82 Cb 0.22 0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 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 0.52 -0.98 0.00 1.35 -2.03 -3.03 112.91 108.75 1x51 h THR 83 Ca 0.00 -0.37 0.37 0.00 -0.55 0.00 0.00 66.41 65.86 1x51 h THR 83 Cb 0.14 0.69 -0.18 0.00 -1.73 0.00 0.00 68.15 67.06 1x51 h THR 83 CO 0.00 0.06 0.37 1.41 -0.25 0.00 0.00 175.52 177.11 1x51 n HIS 84 N -5.25 0.98 -1.66 4.73 -0.00 -1.26 -4.41 115.22 108.35 1x51 n HIS 84 Ca -0.11 1.16 -0.48 0.00 -0.00 0.00 0.00 57.72 58.29 1x51 n HIS 84 Cb 0.29 -1.46 -0.05 0.00 -0.00 0.00 0.00 29.99 28.78 1x51 n HIS 84 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1x51 n LEU 85 N -5.28 2.78 -4.00 2.41 7.94 -1.15 -4.82 117.00 114.87 1x51 n LEU 85 Ca 0.33 1.07 -0.08 0.00 -1.11 0.00 0.00 56.01 56.22 1x51 n LEU 85 Cb 1.10 -1.35 -0.10 0.00 0.53 0.00 0.00 43.42 43.61 1x51 n LEU 85 CO -0.02 -0.43 -0.29 -0.13 -1.11 0.00 0.00 177.39 175.41 1x51 s ARG 86 N 1.44 0.58 -0.18 1.96 1.81 -1.10 -5.02 118.95 118.44 1x51 s ARG 86 Ca 0.83 -0.97 -0.16 0.00 -1.72 0.00 0.00 55.73 53.72 1x51 s ARG 86 Cb -0.77 0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 33.91 1x51 s ARG 86 CO 0.43 -0.13 0.41 -1.58 -0.68 0.00 0.00 175.30 173.76 1x51 s HIS 87 N -3.15 3.41 -0.40 -0.53 5.65 -1.26 -2.21 115.29 116.80 1x51 s HIS 87 Ca -0.00 0.68 0.02 0.00 0.25 0.00 0.00 55.06 56.00 1x51 s HIS 87 Cb 0.02 -2.52 0.12 0.00 -1.18 0.00 0.00 32.58 29.03 1x51 s HIS 87 CO -0.07 0.05 0.18 -0.51 -0.65 0.00 0.00 174.74 173.74 1x51 s LEU 88 N 1.08 3.01 0.00 8.88 1.43 -0.98 -4.99 118.68 127.11 1x51 s LEU 88 Ca 0.20 -2.36 0.00 0.00 -1.03 0.00 0.00 54.13 50.95 1x51 s LEU 88 Cb -0.15 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.94 1x51 s LEU 88 CO 0.08 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.95 1x51 n GLY 89 N 3.92 -0.35 3.56 -3.19 0.00 -1.26 -4.55 105.19 103.31 1x51 n GLY 89 Ca 0.05 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 1.55 -0.23 1.61 1.03 -1.26 -3.53 118.70 117.86 1x51 s GLU 90 Ca 0.00 -1.31 -0.04 0.00 0.03 0.00 0.00 54.97 53.65 1x51 s GLU 90 Cb 0.00 0.46 0.08 0.00 -0.80 0.00 0.00 34.13 33.87 1x51 s GLU 90 CO 0.00 -0.64 0.13 0.08 -1.33 0.00 0.00 175.26 173.51 1x51 s VAL 91 N -3.96 -0.12 -0.35 1.83 1.01 -0.22 -4.86 120.40 113.72 1x51 s VAL 91 Ca 0.24 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1x51 s VAL 91 Cb -0.00 -0.78 0.09 0.00 0.00 0.00 0.00 36.38 35.69 1x51 s VAL 91 CO 0.10 -0.47 0.10 -0.69 0.00 0.00 0.00 175.10 174.13 1x51 s VAL 92 N 2.16 2.94 -0.13 2.92 1.01 -1.26 -0.88 120.40 127.16 1x51 s VAL 92 Ca 0.06 -1.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.08 1x51 s VAL 92 Cb -0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1x51 s VAL 92 CO -0.23 -0.46 0.14 -2.28 0.00 0.00 0.00 175.10 172.27 1x51 s HIS 93 N 1.13 3.57 -0.41 5.22 2.46 -0.91 -4.92 115.29 121.43 1x51 s HIS 93 Ca 0.04 0.50 -0.07 0.00 0.47 0.00 0.00 55.06 55.99 1x51 s HIS 93 Cb -0.21 -1.98 0.08 0.00 -0.13 0.00 0.00 32.58 30.34 1x51 s HIS 93 CO -0.04 0.67 0.23 0.99 -2.47 0.00 0.00 174.74 174.11 1x51 s THR 94 N -0.80 3.97 0.48 0.89 2.01 -1.26 -0.33 115.64 120.59 1x51 s THR 94 Ca 0.14 -1.50 -0.05 0.00 0.31 0.00 0.00 61.69 60.59 1x51 s THR 94 Cb -0.12 -3.46 0.10 0.00 0.01 0.00 0.00 72.50 69.04 1x51 s THR 94 CO 0.03 -0.50 0.66 0.49 -0.69 0.00 0.00 174.62 174.61 1x51 n PHE 95 N 4.84 -3.61 -1.41 4.92 3.72 0.15 -4.86 117.46 121.20 1x51 n PHE 95 Ca -0.09 -0.80 -0.52 0.00 -0.05 0.00 0.00 57.45 55.99 1x51 n PHE 95 Cb 0.43 -0.50 -0.08 0.00 -0.94 0.00 0.00 39.48 38.39 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 -3.24 1.83 -2.78 4.37 7.64 -1.26 -0.43 113.62 119.75 1x51 n SER 96 Ca 0.09 0.45 -0.12 0.00 1.01 0.00 0.00 58.87 60.30 1x51 n SER 96 Cb 0.32 -1.19 -0.01 0.00 -1.01 0.00 0.00 64.21 62.33 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 9.48 -1.69 -3.96 1.43 1.44 -1.26 -4.90 115.22 115.76 1x51 n HIS 97 Ca 0.44 0.14 -0.09 0.00 -2.01 0.00 0.00 57.72 56.20 1x51 n HIS 97 Cb 0.18 -2.13 -0.11 0.00 0.12 0.00 0.00 29.99 28.05 1x51 n HIS 97 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1x51 s ILE 98 N -2.50 0.11 -0.10 0.61 1.01 0.43 -4.59 121.20 116.17 1x51 s ILE 98 Ca 0.13 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 1x51 s ILE 98 Cb -0.07 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 41.99 1x51 s ILE 98 CO 0.16 -0.52 -0.02 -0.75 0.00 0.00 0.00 174.94 173.82 1x51 s LYS 99 N -1.70 0.91 -0.03 2.79 2.20 -0.76 0.30 119.74 123.45 1x51 s LYS 99 Ca -0.13 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1x51 s LYS 99 Cb -0.08 -1.27 -0.03 0.00 -1.51 0.00 0.00 37.83 34.94 1x51 s LYS 99 CO -0.01 -0.32 -0.00 -0.51 -0.36 0.00 0.00 175.35 174.14 1x51 s LEU 100 N 1.87 3.51 -0.29 5.43 2.01 0.55 -3.43 118.68 128.34 1x51 s LEU 100 Ca 0.04 0.04 0.02 0.00 0.01 0.00 0.00 54.13 54.25 1x51 s LEU 100 Cb -0.13 -1.93 0.08 0.00 0.01 0.00 0.00 46.19 44.23 1x51 s LEU 100 CO -0.06 0.32 0.02 -0.89 1.01 0.00 0.00 176.35 176.74 1x51 s THR 101 N -1.00 1.73 -0.16 5.49 2.01 -0.66 -2.14 115.64 120.91 1x51 s THR 101 Ca 0.17 -1.73 -0.05 0.00 0.31 0.00 0.00 61.69 60.38 1x51 s THR 101 Cb -0.11 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 1x51 s THR 101 CO 0.07 -0.42 0.01 -0.31 -0.69 0.00 0.00 174.62 173.29 1x51 s TYR 102 N 1.23 3.14 -0.38 4.92 1.51 -0.06 -1.20 117.35 126.52 1x51 s TYR 102 Ca 0.04 -0.08 -0.17 0.00 -1.01 0.00 0.00 57.07 55.85 1x51 s TYR 102 Cb -0.19 -2.00 0.00 0.00 -0.11 0.00 0.00 41.96 39.67 1x51 s TYR 102 CO -0.11 0.10 0.46 -0.65 -1.11 0.00 0.00 175.55 174.24 1x51 s GLN 103 N 0.24 3.41 -0.04 -0.62 -1.52 -0.72 -1.05 119.66 119.37 1x51 s GLN 103 Ca 0.01 -0.44 -0.30 0.00 -1.95 0.00 0.00 55.36 52.68 1x51 s GLN 103 Cb -0.13 -3.87 -0.05 0.00 -0.22 0.00 0.00 33.01 28.74 1x51 s GLN 103 CO 0.02 -0.70 1.41 0.08 -0.25 0.00 0.00 175.29 175.84 1x51 s VAL 104 N 2.24 3.81 -0.02 1.09 1.01 -1.23 -2.03 120.40 125.27 1x51 s VAL 104 Ca 0.15 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.27 1x51 s VAL 104 Cb -0.16 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1x51 s VAL 104 CO 0.13 -0.03 -0.03 -0.31 0.00 0.00 0.00 175.10 174.86 1x51 s TYR 105 N 2.80 0.48 -0.06 5.22 2.02 -0.80 -2.32 117.35 124.69 1x51 s TYR 105 Ca 0.63 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.25 1x51 s TYR 105 Cb -0.30 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1x51 s TYR 105 CO 0.25 -0.10 -0.04 0.20 -1.57 0.00 0.00 175.55 174.28 1x51 s GLY 106 N 0.58 1.76 -0.28 0.71 0.00 -0.94 -0.11 107.32 109.04 1x51 s GLY 106 Ca -0.07 -0.88 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 1x51 s GLY 106 CO -0.01 -0.66 0.55 -2.27 0.00 0.00 0.00 173.10 170.71 1x51 s LEU 107 N -0.92 -1.13 -0.01 0.66 1.98 -0.50 -2.70 118.68 116.05 1x51 s LEU 107 Ca 0.13 0.86 0.03 0.00 -2.89 0.00 0.00 54.13 52.26 1x51 s LEU 107 Cb -0.11 1.90 -0.01 0.00 0.66 0.00 0.00 46.19 48.63 1x51 s LEU 107 CO 0.03 -0.26 -0.10 0.00 -1.89 0.00 0.00 176.35 174.13 1x51 s ALA 108 N 2.78 0.82 -0.66 5.97 0.00 -1.26 -2.20 121.76 127.20 1x51 s ALA 108 Ca 0.13 -0.43 -0.27 0.00 0.00 0.00 0.00 51.96 51.39 1x51 s ALA 108 Cb -0.14 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.80 1x51 s ALA 108 CO -0.19 0.20 1.21 -0.51 0.00 0.00 0.00 175.76 176.48 1x51 s LEU 109 N -0.24 3.38 0.02 0.00 1.43 -0.97 -4.89 118.68 117.40 1x51 s LEU 109 Ca 0.04 -0.25 -0.26 0.00 -1.03 0.00 0.00 54.13 52.63 1x51 s LEU 109 Cb -0.04 -2.81 -0.17 0.00 0.03 0.00 0.00 46.19 43.20 1x51 s LEU 109 CO -0.00 -1.65 1.35 -0.08 0.23 0.00 0.00 176.35 176.20 1x51 h GLU 110 N 9.78 -0.37 -0.17 1.70 4.81 -1.99 -3.37 114.58 124.96 1x51 h GLU 110 Ca -0.27 0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 58.79 1x51 h GLU 110 Cb 1.05 0.08 -0.26 0.00 0.63 0.00 0.00 28.75 30.26 1x51 h GLU 110 CO 1.23 -0.08 -0.64 0.41 -0.73 0.00 0.00 179.01 179.20 1x51 n GLY 111 N -0.51 1.85 3.30 1.92 0.00 -1.26 -4.92 105.19 105.57 1x51 n GLY 111 Ca -0.10 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.04 0.50 -2.32 1.61 1.13 -1.26 -5.08 117.38 110.92 1x51 n GLN 112 Ca -0.07 -2.55 -0.38 0.00 -1.94 0.00 0.00 57.00 52.05 1x51 n GLN 112 Cb 0.85 -0.29 -0.02 0.00 0.11 0.00 0.00 30.24 30.88 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 -2.17 3.23 1.08 5.09 -4.23 -1.26 -5.03 115.64 112.34 1x51 s THR 113 Ca 0.53 0.99 -0.15 0.00 -1.18 0.00 0.00 61.69 61.88 1x51 s THR 113 Cb -0.04 -3.54 0.23 0.00 1.34 0.00 0.00 72.50 70.49 1x51 s THR 113 CO 0.34 0.05 1.10 -2.16 -0.54 0.00 0.00 174.62 173.41 1x51 s PRO 114 N -2.42 -0.20 -0.27 3.99 0.04 -1.26 -5.02 135.00 129.86 1x51 s PRO 114 Ca 0.59 0.30 -0.08 0.00 0.04 0.00 0.00 61.00 61.84 1x51 s PRO 114 Cb -0.29 -1.68 -0.15 0.00 0.04 0.00 0.00 34.50 32.42 1x51 s PRO 114 CO 0.36 -3.10 -0.27 1.55 0.04 0.00 0.00 177.00 175.57 1x51 n VAL 115 N -4.40 1.52 -2.34 -0.36 3.14 -1.26 -4.91 118.33 109.72 1x51 n VAL 115 Ca 0.08 -0.46 -0.05 0.00 -2.96 0.00 0.00 64.34 60.96 1x51 n VAL 115 Cb 0.58 -1.70 -0.00 0.00 -1.06 0.00 0.00 33.84 31.66 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 -3.84 -0.19 -3.82 1.55 -2.24 -1.26 -4.88 114.28 99.59 1x51 n THR 116 Ca -0.50 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 1x51 n THR 116 Cb 0.93 -0.62 -0.13 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.14 -0.01 -0.30 4.28 2.01 -1.26 -5.14 115.64 113.08 1x51 s THR 117 Ca 0.00 0.04 -0.17 0.00 0.31 0.00 0.00 61.69 61.87 1x51 s THR 117 Cb 0.00 -0.16 0.18 0.00 0.01 0.00 0.00 72.50 72.53 1x51 s THR 117 CO 0.00 0.02 1.13 0.54 -0.69 0.00 0.00 174.62 175.62 1x51 s VAL 118 N 0.29 -0.29 1.02 3.82 0.11 -1.26 -4.32 120.40 119.79 1x51 s VAL 118 Ca -0.02 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.90 1x51 s VAL 118 Cb -0.03 -1.00 0.20 0.00 -1.53 0.00 0.00 36.38 34.02 1x51 s VAL 118 CO -0.01 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.69 1x51 s PRO 119 N 2.31 0.24 0.00 1.54 0.04 -1.26 -4.89 135.00 132.98 1x51 s PRO 119 Ca -0.01 0.46 0.10 0.00 0.04 0.00 0.00 61.00 61.59 1x51 s PRO 119 Cb -0.04 -1.72 0.62 0.00 0.04 0.00 0.00 34.50 33.40 1x51 s PRO 119 CO -0.16 -2.85 1.06 -0.35 0.04 0.00 0.00 177.00 174.74 1x51 n PRO 120 N -4.25 0.49 0.00 0.56 -0.04 -1.26 -2.09 135.00 128.42 1x51 n PRO 120 Ca 0.05 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.60 1x51 n PRO 120 Cb 0.57 -1.33 0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.20 3.54 0.55 0.00 -1.26 -4.99 105.19 103.21 1x51 n GLY 121 Ca 0.08 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.89 2.79 -0.17 4.61 0.00 -0.89 -2.60 121.76 123.61 1x51 s ALA 122 Ca 0.18 -2.08 -0.12 0.00 0.00 0.00 0.00 51.96 49.94 1x51 s ALA 122 Cb 0.15 0.43 0.05 0.00 0.00 0.00 0.00 23.12 23.76 1x51 s ALA 122 CO 0.37 -0.22 0.43 -0.98 0.00 0.00 0.00 175.76 175.36 1x51 s ARG 123 N -3.81 0.45 -0.43 0.00 1.70 0.14 -4.84 118.95 112.17 1x51 s ARG 123 Ca 0.34 0.70 -0.13 0.00 -0.47 0.00 0.00 55.73 56.18 1x51 s ARG 123 Cb 0.09 0.11 0.06 0.00 -0.57 0.00 0.00 34.95 34.64 1x51 s ARG 123 CO 0.16 -0.11 0.30 -1.58 -1.08 0.00 0.00 175.30 173.00 1x51 s TRP 124 N 0.83 3.27 0.35 5.89 0.52 -1.26 0.44 118.94 128.98 1x51 s TRP 124 Ca -0.05 -1.04 0.05 0.00 0.02 0.00 0.00 56.10 55.08 1x51 s TRP 124 Cb -0.06 -2.87 -0.07 0.00 -1.15 0.00 0.00 33.47 29.33 1x51 s TRP 124 CO -0.06 -0.75 0.04 -0.48 0.02 0.00 0.00 176.95 175.72 1x51 s LEU 125 N 1.57 2.42 0.43 2.99 0.05 -0.41 -4.93 118.68 120.80 1x51 s LEU 125 Ca 0.03 -1.37 -0.02 0.00 0.05 0.00 0.00 54.13 52.82 1x51 s LEU 125 Cb -0.22 -0.56 -0.03 0.00 -2.05 0.00 0.00 46.19 43.33 1x51 s LEU 125 CO 0.06 -0.55 0.69 0.42 -0.55 0.00 0.00 176.35 176.42 1x51 s THR 126 N -3.10 4.78 0.23 5.48 -4.23 -1.26 0.49 115.64 118.03 1x51 s THR 126 Ca 0.36 -0.16 -0.09 0.00 -1.18 0.00 0.00 61.69 60.62 1x51 s THR 126 Cb 0.09 -3.79 0.26 0.00 1.34 0.00 0.00 72.50 70.41 1x51 s THR 126 CO 0.16 -0.65 1.63 1.56 -0.54 0.00 0.00 174.62 176.79 1x51 h GLN 127 N 0.42 0.07 -0.33 3.99 7.50 -1.93 0.72 115.11 125.54 1x51 h GLN 127 Ca -0.48 -0.00 0.04 0.00 0.50 0.00 0.00 58.65 58.71 1x51 h GLN 127 Cb 1.22 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.70 1x51 h GLN 127 CO 0.61 0.05 0.10 0.93 -1.50 0.00 0.00 178.83 179.01 1x51 h GLU 128 N 0.07 0.22 -0.79 1.46 4.39 -1.95 -2.17 114.58 115.81 1x51 h GLU 128 Ca 0.37 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.07 1x51 h GLU 128 Cb 0.63 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1x51 h GLU 128 CO -0.66 0.15 0.52 0.93 -1.16 0.00 0.00 179.01 178.79 1x51 h GLU 129 N 0.23 1.03 -0.29 2.33 4.39 -1.33 -2.72 114.58 118.22 1x51 h GLU 129 Ca 0.15 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.85 1x51 h GLU 129 Cb 0.14 -0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 1x51 h GLU 129 CO -0.17 0.68 -0.09 0.35 -1.16 0.00 0.00 179.01 178.62 1x51 h PHE 130 N 1.06 -0.19 -0.49 4.33 3.57 -0.37 0.45 116.94 125.29 1x51 h PHE 130 Ca 0.30 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.92 1x51 h PHE 130 Cb -0.10 0.13 -0.10 0.00 2.79 0.00 0.00 35.95 38.67 1x51 h PHE 130 CO -0.02 -0.14 -0.18 0.45 -2.23 0.00 0.00 178.31 176.19 1x51 h HIS 131 N -0.02 -0.42 0.00 0.41 3.86 -1.12 0.39 115.15 118.24 1x51 h HIS 131 Ca 0.14 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1x51 h HIS 131 Cb 0.24 0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1x51 h HIS 131 CO -0.29 -0.27 0.00 1.79 0.86 0.00 0.00 177.93 180.02 1x51 h THR 132 N -0.07 0.00 -4.03 2.45 1.35 -1.32 -3.45 112.91 107.85 1x51 h THR 132 Ca 0.23 -0.43 -0.50 0.00 -0.55 0.00 0.00 66.41 65.16 1x51 h THR 132 Cb 0.43 1.33 0.06 0.00 -1.73 0.00 0.00 68.15 68.24 1x51 h THR 132 CO -0.54 0.00 0.47 0.00 -0.25 0.00 0.00 175.52 175.20 1x51 s ALA 133 N -3.53 2.89 -0.73 6.62 0.00 0.14 -4.92 121.76 122.23 1x51 s ALA 133 Ca 0.03 0.89 -0.26 0.00 0.00 0.00 0.00 51.96 52.62 1x51 s ALA 133 Cb 0.09 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1x51 s ALA 133 CO 0.50 -0.67 1.78 0.00 0.00 0.00 0.00 175.76 177.36 1x51 s ALA 134 N -1.62 2.15 0.04 0.00 0.00 -1.26 -4.95 121.76 116.11 1x51 s ALA 134 Ca 0.66 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.60 1x51 s ALA 134 Cb -0.27 -4.38 -0.02 0.00 0.00 0.00 0.00 23.12 18.45 1x51 s ALA 134 CO 0.32 -4.04 -0.14 0.08 0.00 0.00 0.00 175.76 171.98 1x51 s VAL 135 N 8.65 1.08 0.58 0.00 1.01 -1.26 -2.36 120.40 128.11 1x51 s VAL 135 Ca 0.62 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 1x51 s VAL 135 Cb -0.10 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1x51 s VAL 135 CO 0.12 -0.01 1.13 -0.94 0.00 0.00 0.00 175.10 175.41 1x51 s SER 136 N -1.14 5.50 0.16 3.32 1.04 -1.26 -4.74 113.70 116.58 1x51 s SER 136 Ca 0.01 2.13 -0.26 0.00 0.48 0.00 0.00 55.95 58.32 1x51 s SER 136 Cb -0.08 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.50 1x51 s SER 136 CO 0.01 -1.37 1.57 0.74 0.98 0.00 0.00 173.24 175.18 1x51 h THR 137 N 0.82 0.12 -0.78 2.02 2.02 -2.00 0.12 112.91 115.22 1x51 h THR 137 Ca -0.49 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.76 1x51 h THR 137 Cb 1.26 0.12 -0.09 0.00 -1.74 0.00 0.00 68.15 67.69 1x51 h THR 137 CO 0.56 0.00 -0.46 0.00 0.37 0.00 0.00 175.52 175.99 1x51 n ALA 138 N -3.10 -0.50 0.05 6.16 0.00 -1.26 0.12 120.51 121.98 1x51 n ALA 138 Ca 0.01 0.66 -0.12 0.00 0.00 0.00 0.00 53.44 53.99 1x51 n ALA 138 Cb 0.35 -0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.05 -0.08 0.00 2.07 -1.76 -1.30 114.93 113.80 1x51 h MET 139 Ca 0.12 0.00 0.02 0.00 -2.07 0.00 0.00 59.70 57.78 1x51 h MET 139 Cb 0.32 0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.06 1x51 h MET 139 CO -0.73 -0.04 0.36 0.87 1.07 0.00 0.00 176.91 178.44 1x51 h LYS 140 N -0.06 0.00 0.00 1.72 1.57 0.95 0.51 116.57 121.27 1x51 h LYS 140 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1x51 h LYS 140 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1x51 h LYS 140 CO -0.01 0.00 -1.25 0.87 -0.57 0.00 0.00 179.45 178.49 1x51 h LYS 141 N 0.00 0.00 0.00 3.15 1.57 0.84 -3.30 116.57 118.83 1x51 h LYS 141 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1x51 h LYS 141 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 1x51 h LYS 141 CO -0.00 0.53 -0.02 0.28 -0.57 0.00 0.00 179.45 179.67 1x51 h VAL 142 N 0.00 0.10 0.14 0.50 2.07 0.48 -2.81 116.25 116.73 1x51 h VAL 142 Ca -0.14 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1x51 h VAL 142 Cb 1.71 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1x51 h VAL 142 CO 0.08 0.02 -0.07 0.15 0.02 0.00 0.00 177.57 177.77 1x51 h PHE 143 N 0.00 -0.17 -0.85 1.57 3.57 -1.61 -2.63 116.94 116.81 1x51 h PHE 143 Ca -0.00 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.73 1x51 h PHE 143 Cb 0.33 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1x51 h PHE 143 CO 0.00 -0.03 0.60 0.07 -2.23 0.00 0.00 178.31 176.72 1x51 h ARG 144 N -1.04 0.08 0.01 1.11 0.11 -1.67 0.39 114.38 113.37 1x51 h ARG 144 Ca -0.02 -0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.87 1x51 h ARG 144 Cb 0.22 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.26 1x51 h ARG 144 CO 0.03 0.05 -0.89 0.28 0.10 0.00 0.00 179.97 179.55 1x51 h VAL 145 N 0.09 1.60 -0.08 0.08 2.07 -1.58 -3.13 116.25 115.29 1x51 h VAL 145 Ca 0.41 -2.92 -0.17 0.00 0.82 0.00 0.00 66.70 64.84 1x51 h VAL 145 Cb 1.51 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 33.87 1x51 h VAL 145 CO -0.04 0.84 -0.69 0.22 0.02 0.00 0.00 177.57 177.92 1x51 h TYR 146 N 0.02 0.50 0.06 1.57 3.20 0.13 -3.10 116.97 119.34 1x51 h TYR 146 Ca -0.02 -0.21 -0.00 0.00 3.14 0.00 0.00 58.73 61.64 1x51 h TYR 146 Cb 1.55 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.74 1x51 h TYR 146 CO 0.01 0.95 -0.03 1.96 -1.64 0.00 0.00 178.16 179.41 1x51 h GLN 147 N 0.26 -0.08 -3.13 1.82 4.20 -1.28 -3.36 115.11 113.55 1x51 h GLN 147 Ca -0.02 0.01 -0.63 0.00 0.06 0.00 0.00 58.65 58.06 1x51 h GLN 147 Cb 1.25 0.02 -0.41 0.00 0.30 0.00 0.00 27.48 28.63 1x51 h GLN 147 CO 0.12 0.17 -0.50 0.20 -0.67 0.00 0.00 178.83 178.14 1x51 s GLY 148 N -2.64 2.96 0.13 3.46 0.00 -1.19 -4.94 107.32 105.10 1x51 s GLY 148 Ca -0.14 -3.83 -0.21 0.00 0.00 0.00 0.00 44.72 40.53 1x51 s GLY 148 CO 0.65 1.09 1.69 0.06 0.00 0.00 0.00 173.10 176.59 1x51 h GLN 149 N 5.52 -0.10 -0.96 2.90 -0.00 -1.70 -2.52 115.11 118.24 1x51 h GLN 149 Ca 0.14 0.01 0.18 0.00 -0.00 0.00 0.00 58.65 58.98 1x51 h GLN 149 Cb 0.77 0.02 -0.18 0.00 -0.00 0.00 0.00 27.48 28.09 1x51 h GLN 149 CO 0.74 -0.07 -0.27 0.77 -0.00 0.00 0.00 178.83 180.00 1x51 h SER 150 N -0.11 -1.01 0.00 0.06 0.02 -1.92 -3.43 113.55 107.17 1x51 h SER 150 Ca 0.09 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1x51 h SER 150 Cb 0.24 0.63 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1x51 h SER 150 CO -0.21 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 175.77 1x51 n GLY 151 N -1.58 0.62 3.70 -3.77 0.00 -0.95 -5.10 105.19 98.11 1x51 n GLY 151 Ca 0.14 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1x51 n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x51 s PRO 152 N -1.03 0.91 0.23 1.61 0.04 -1.26 -4.94 135.00 130.56 1x51 s PRO 152 Ca 0.00 0.69 -0.09 0.00 0.04 0.00 0.00 61.00 61.64 1x51 s PRO 152 Cb 0.00 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.79 1x51 s PRO 152 CO 0.00 -2.44 0.46 -1.13 0.04 0.00 0.00 177.00 173.93 1x51 n SER 153 N -4.00 -1.34 -4.35 6.66 3.41 -1.26 -5.19 113.62 107.54 1x51 n SER 153 Ca 0.06 -1.95 -0.26 0.00 -0.26 0.00 0.00 58.87 56.46 1x51 n SER 153 Cb 0.56 2.24 -0.09 0.00 -0.26 0.00 0.00 64.21 66.67 1x51 n SER 153 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x51 s SER 154 N -2.22 3.00 0.00 4.04 0.15 -1.26 -5.34 113.70 112.07 1x51 s SER 154 Ca 0.10 -1.58 0.00 0.00 0.70 0.00 0.00 55.95 55.17 1x51 s SER 154 Cb -0.03 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1x51 s SER 154 CO 0.07 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.31