#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee2 s SER 2 N 0.00 1.66 0.87 1.61 0.01 -1.26 -5.14 113.70 111.45 2ee2 s SER 2 Ca 0.00 -0.16 -0.11 0.00 1.31 0.00 0.00 55.95 56.99 2ee2 s SER 2 Cb 0.00 -0.57 0.11 0.00 0.21 0.00 0.00 66.02 65.77 2ee2 s SER 2 CO 0.00 -0.14 1.10 -0.94 0.41 0.00 0.00 173.24 173.67 2ee2 s SER 3 N 1.67 3.64 0.00 2.44 1.04 -1.26 -5.06 113.70 116.17 2ee2 s SER 3 Ca 0.02 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.18 2ee2 s SER 3 Cb -0.13 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2ee2 s SER 3 CO -0.05 -2.57 0.00 0.61 0.98 0.00 0.00 173.24 172.21 2ee2 n GLY 4 N -0.83 4.46 4.22 7.32 0.00 -1.26 -4.88 105.19 114.23 2ee2 n GLY 4 Ca 0.08 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 2ee2 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ee2 n SER 5 N 0.00 -2.29 -4.81 1.61 7.64 -1.26 -4.90 113.62 109.60 2ee2 n SER 5 Ca 0.00 -1.06 -0.32 0.00 1.01 0.00 0.00 58.87 58.51 2ee2 n SER 5 Cb 0.00 -2.59 0.03 0.00 -1.01 0.00 0.00 64.21 60.64 2ee2 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ee2 s SER 6 N -3.56 5.53 -1.25 6.43 1.04 -1.26 -4.95 113.70 115.68 2ee2 s SER 6 Ca 0.57 1.70 -0.15 0.00 0.48 0.00 0.00 55.95 58.54 2ee2 s SER 6 Cb -0.31 -2.51 0.13 0.00 0.10 0.00 0.00 66.02 63.43 2ee2 s SER 6 CO 0.94 -1.34 1.56 -0.83 0.98 0.00 0.00 173.24 174.55 2ee2 s GLY 7 N -3.39 2.10 -0.28 7.32 0.00 -1.26 -4.97 107.32 106.83 2ee2 s GLY 7 Ca 0.60 -3.19 -0.29 0.00 0.00 0.00 0.00 44.72 41.84 2ee2 s GLY 7 CO 0.48 2.32 1.12 0.14 0.00 0.00 0.00 173.10 177.16 2ee2 s VAL 8 N 2.64 4.47 -0.30 1.40 1.01 -1.26 -4.98 120.40 123.38 2ee2 s VAL 8 Ca 0.47 1.72 -0.10 0.00 0.00 0.00 0.00 61.98 64.07 2ee2 s VAL 8 Cb -0.00 -4.32 0.15 0.00 0.00 0.00 0.00 36.38 32.21 2ee2 s VAL 8 CO 0.03 -0.39 0.77 0.00 0.00 0.00 0.00 175.10 175.52 2ee2 s ALA 9 N 3.65 -2.37 -0.15 5.51 0.00 -1.26 -5.16 121.76 121.97 2ee2 s ALA 9 Ca 0.48 2.13 -0.14 0.00 0.00 0.00 0.00 51.96 54.43 2ee2 s ALA 9 Cb -0.14 -1.97 0.04 0.00 0.00 0.00 0.00 23.12 21.05 2ee2 s ALA 9 CO 0.14 -1.03 0.39 0.08 0.00 0.00 0.00 175.76 175.35 2ee2 s VAL 10 N 2.76 -0.00 0.26 0.00 1.01 -1.26 -5.14 120.40 118.03 2ee2 s VAL 10 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 2ee2 s VAL 10 Cb -0.10 -0.55 -0.13 0.00 0.00 0.00 0.00 36.38 35.59 2ee2 s VAL 10 CO -0.18 0.00 1.46 -0.38 0.00 0.00 0.00 175.10 176.00 2ee2 n ILE 11 N 2.90 0.97 0.26 2.22 5.41 -1.26 -4.93 119.36 124.93 2ee2 n ILE 11 Ca -0.13 -0.24 -0.12 0.00 1.00 0.00 0.00 62.75 63.25 2ee2 n ILE 11 Cb 0.57 -1.62 -0.06 0.00 -0.71 0.00 0.00 39.64 37.81 2ee2 n ILE 11 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2ee2 h ASN 12 N 4.39 -0.60 -5.75 4.38 4.21 -2.05 -3.47 115.58 116.69 2ee2 h ASN 12 Ca -0.46 -0.03 -0.37 0.00 1.21 0.00 0.00 56.30 56.66 2ee2 h ASN 12 Cb 1.26 0.15 0.15 0.00 -1.12 0.00 0.00 38.32 38.77 2ee2 h ASN 12 CO 0.77 -0.20 -0.72 -1.20 -1.29 0.00 0.00 177.43 174.79 2ee2 n SER 13 N -5.26 -4.28 -3.95 5.81 7.64 -1.26 -5.01 113.62 107.32 2ee2 n SER 13 Ca -0.10 -0.58 -0.22 0.00 1.01 0.00 0.00 58.87 58.98 2ee2 n SER 13 Cb 0.30 -5.08 -0.16 0.00 -1.01 0.00 0.00 64.21 58.26 2ee2 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ee2 s ALA 14 N -3.34 0.97 0.10 -0.43 0.00 -1.26 -5.05 121.76 112.76 2ee2 s ALA 14 Ca 0.30 -0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.75 2ee2 s ALA 14 Cb -0.13 -0.52 -0.11 0.00 0.00 0.00 0.00 23.12 22.35 2ee2 s ALA 14 CO 0.73 0.01 1.66 -0.56 0.00 0.00 0.00 175.76 177.60 2ee2 h GLN 15 N 7.16 -0.43 -2.86 0.00 -0.00 -1.94 -3.47 115.11 113.57 2ee2 h GLN 15 Ca -0.34 0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.35 2ee2 h GLN 15 Cb 1.17 0.10 -0.12 0.00 -0.00 0.00 0.00 27.48 28.62 2ee2 h GLN 15 CO 0.46 -0.29 0.26 -0.51 -0.00 0.00 0.00 178.83 178.76 2ee2 s ASP 16 N -4.82 -0.52 0.00 0.06 1.01 -1.26 -5.15 116.67 105.99 2ee2 s ASP 16 Ca -0.15 -0.01 0.02 0.00 0.71 0.00 0.00 52.55 53.12 2ee2 s ASP 16 Cb 0.07 0.56 -0.01 0.00 1.01 0.00 0.00 42.92 44.55 2ee2 s ASP 16 CO 0.65 -0.91 -0.07 0.00 0.21 0.00 0.00 175.17 175.05 2ee2 s ALA 17 N -3.63 0.59 0.26 5.23 0.00 -1.26 -3.76 121.76 119.19 2ee2 s ALA 17 Ca 0.02 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 2ee2 s ALA 17 Cb -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.90 2ee2 s ALA 17 CO -0.12 0.12 1.26 -1.25 0.00 0.00 0.00 175.76 175.77 2ee2 s PRO 18 N -0.40 4.43 0.00 0.00 0.04 -1.26 -4.93 135.00 132.89 2ee2 s PRO 18 Ca 0.01 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2ee2 s PRO 18 Cb -0.04 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2ee2 s PRO 18 CO -0.00 -0.13 0.00 0.45 0.04 0.00 0.00 177.00 177.36 2ee2 n SER 19 N 1.69 3.88 -4.65 6.66 2.88 -1.26 -4.65 113.62 118.18 2ee2 n SER 19 Ca 0.02 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.22 2ee2 n SER 19 Cb 0.43 0.61 -0.09 0.00 -0.75 0.00 0.00 64.21 64.41 2ee2 n SER 19 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2ee2 s GLU 20 N -1.65 3.83 0.19 -1.46 2.56 -1.26 -4.98 118.70 115.94 2ee2 s GLU 20 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.97 54.54 2ee2 s GLU 20 Cb 0.00 -3.16 -0.07 0.00 2.00 0.00 0.00 34.13 32.90 2ee2 s GLU 20 CO 0.00 0.35 0.51 0.00 -0.56 0.00 0.00 175.26 175.56 2ee2 s ALA 21 N 0.14 3.62 -0.59 6.30 0.00 -1.26 -4.85 121.76 125.11 2ee2 s ALA 21 Ca 0.05 -0.31 -0.27 0.00 0.00 0.00 0.00 51.96 51.43 2ee2 s ALA 21 Cb -0.12 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 2ee2 s ALA 21 CO 0.01 0.53 1.85 -1.25 0.00 0.00 0.00 175.76 176.90 2ee2 s PRO 22 N -2.62 2.69 0.86 0.00 0.04 -1.26 -4.95 135.00 129.76 2ee2 s PRO 22 Ca 0.44 0.68 -0.10 0.00 0.04 0.00 0.00 61.00 62.06 2ee2 s PRO 22 Cb -0.12 -4.37 0.17 0.00 0.04 0.00 0.00 34.50 30.22 2ee2 s PRO 22 CO 0.21 -2.65 1.19 0.99 0.04 0.00 0.00 177.00 176.78 2ee2 s THR 23 N 8.86 2.06 -1.37 1.26 2.01 -1.26 -4.41 115.64 122.78 2ee2 s THR 23 Ca 0.68 -0.23 -0.07 0.00 0.31 0.00 0.00 61.69 62.38 2ee2 s THR 23 Cb -0.13 -2.83 0.03 0.00 0.01 0.00 0.00 72.50 69.58 2ee2 s THR 23 CO 0.22 0.00 1.00 -0.62 -0.69 0.00 0.00 174.62 174.53 2ee2 n GLU 24 N -3.39 -6.47 -3.64 4.92 1.02 -1.26 -2.82 120.64 109.01 2ee2 n GLU 24 Ca 0.15 0.73 -0.37 0.00 -0.02 0.00 0.00 57.16 57.65 2ee2 n GLU 24 Cb 0.60 -5.64 -0.07 0.00 -0.02 0.00 0.00 31.44 26.31 2ee2 n GLU 24 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ee2 s VAL 25 N -3.39 5.32 0.04 2.62 0.11 -1.26 -3.96 120.40 119.87 2ee2 s VAL 25 Ca 0.39 0.47 0.01 0.00 -2.93 0.00 0.00 61.98 59.92 2ee2 s VAL 25 Cb -0.18 -3.57 -0.00 0.00 -1.53 0.00 0.00 36.38 31.09 2ee2 s VAL 25 CO 0.77 0.48 0.02 0.61 -3.33 0.00 0.00 175.10 173.66 2ee2 n GLY 26 N 2.81 3.98 3.12 6.54 0.00 -0.07 -5.01 105.19 116.57 2ee2 n GLY 26 Ca -0.15 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 2ee2 n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ee2 s VAL 27 N -1.86 -0.36 0.03 1.61 -7.23 -1.26 -3.08 120.40 108.24 2ee2 s VAL 27 Ca 0.03 0.20 -0.04 0.00 -1.81 0.00 0.00 61.98 60.36 2ee2 s VAL 27 Cb 0.00 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 2ee2 s VAL 27 CO 0.02 0.08 0.24 -0.75 -0.31 0.00 0.00 175.10 174.38 2ee2 s LYS 28 N 2.12 3.51 -0.62 4.82 2.47 0.97 -4.95 119.74 128.07 2ee2 s LYS 28 Ca -0.03 -0.23 -0.10 0.00 -1.56 0.00 0.00 55.97 54.05 2ee2 s LYS 28 Cb -0.11 -3.05 0.16 0.00 -1.46 0.00 0.00 37.83 33.37 2ee2 s LYS 28 CO -0.10 0.63 0.51 0.08 0.16 0.00 0.00 175.35 176.62 2ee2 s VAL 29 N -1.39 4.60 -0.02 4.02 1.01 -1.26 -1.15 120.40 126.21 2ee2 s VAL 29 Ca 0.30 -2.24 -0.23 0.00 0.00 0.00 0.00 61.98 59.81 2ee2 s VAL 29 Cb -0.13 -3.95 -0.16 0.00 0.00 0.00 0.00 36.38 32.14 2ee2 s VAL 29 CO 0.20 -0.88 1.07 -0.07 0.00 0.00 0.00 175.10 175.42 2ee2 h LEU 30 N 7.96 -0.26 0.00 3.92 3.38 -1.53 -3.49 115.31 125.28 2ee2 h LEU 30 Ca -0.08 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2ee2 h LEU 30 Cb 1.04 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2ee2 h LEU 30 CO 0.81 0.19 0.09 -1.20 0.09 0.00 0.00 178.44 178.42 2ee2 n SER 31 N -5.03 -1.06 -0.26 -0.43 7.64 -0.05 -4.94 113.62 109.48 2ee2 n SER 31 Ca -0.09 -1.84 0.05 0.00 1.01 0.00 0.00 58.87 58.00 2ee2 n SER 31 Cb 0.26 1.80 0.18 0.00 -1.01 0.00 0.00 64.21 65.44 2ee2 n SER 31 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2ee2 h SER 32 N 1.00 0.37 -0.77 6.43 4.64 -1.91 -2.21 113.55 121.09 2ee2 h SER 32 Ca -0.16 0.10 -0.56 0.00 -0.47 0.00 0.00 61.79 60.69 2ee2 h SER 32 Cb 0.62 0.05 -0.41 0.00 -0.31 0.00 0.00 62.40 62.35 2ee2 h SER 32 CO 0.21 0.16 -0.63 -1.20 -0.87 0.00 0.00 176.83 174.50 2ee2 n SER 33 N -4.95 5.20 -3.68 4.97 7.64 -1.25 -4.17 113.62 117.38 2ee2 n SER 33 Ca 0.14 -3.76 -0.10 0.00 1.01 0.00 0.00 58.87 56.17 2ee2 n SER 33 Cb 0.39 -0.41 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 2ee2 n SER 33 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2ee2 s GLU 34 N -3.62 0.35 -0.14 1.43 8.01 -0.83 -3.29 118.70 120.60 2ee2 s GLU 34 Ca 0.52 0.87 -0.10 0.00 0.01 0.00 0.00 54.97 56.28 2ee2 s GLU 34 Cb 0.42 0.10 0.05 0.00 -4.31 0.00 0.00 34.13 30.39 2ee2 s GLU 34 CO 0.03 -0.20 0.36 0.42 0.01 0.00 0.00 175.26 175.88 2ee2 s ILE 35 N 1.89 -0.02 -0.07 -1.63 1.01 -1.00 -0.87 121.20 120.51 2ee2 s ILE 35 Ca -0.06 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 2ee2 s ILE 35 Cb -0.10 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 2ee2 s ILE 35 CO -0.12 0.03 0.13 -0.55 0.00 0.00 0.00 174.94 174.42 2ee2 s SER 36 N 0.87 6.16 -0.42 3.58 0.15 -0.30 0.79 113.70 124.54 2ee2 s SER 36 Ca -0.05 0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.97 2ee2 s SER 36 Cb -0.06 -1.93 0.11 0.00 -1.71 0.00 0.00 66.02 62.43 2ee2 s SER 36 CO -0.06 0.35 0.17 -0.69 1.20 0.00 0.00 173.24 174.20 2ee2 s VAL 37 N -1.11 2.75 0.06 4.45 1.01 0.77 -0.02 120.40 128.30 2ee2 s VAL 37 Ca 0.19 -2.51 -0.14 0.00 0.00 0.00 0.00 61.98 59.52 2ee2 s VAL 37 Cb -0.12 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 2ee2 s VAL 37 CO 0.09 -0.69 0.46 -1.00 0.00 0.00 0.00 175.10 173.96 2ee2 s HIS 38 N 0.65 3.69 0.16 5.22 3.76 -1.18 -1.16 115.29 126.42 2ee2 s HIS 38 Ca 0.12 1.01 -0.11 0.00 -0.15 0.00 0.00 55.06 55.92 2ee2 s HIS 38 Cb -0.21 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.17 2ee2 s HIS 38 CO -0.05 0.57 0.33 1.67 -0.85 0.00 0.00 174.74 176.41 2ee2 s TRP 39 N -1.23 0.19 -0.00 1.40 -2.14 -1.02 -0.89 118.94 115.25 2ee2 s TRP 39 Ca 0.29 -0.56 -0.19 0.00 2.66 0.00 0.00 56.10 58.30 2ee2 s TRP 39 Cb -0.16 0.07 -0.06 0.00 -3.10 0.00 0.00 33.47 30.22 2ee2 s TRP 39 CO 0.16 -0.74 0.54 -2.00 -2.66 0.00 0.00 176.95 172.26 2ee2 s GLU 40 N -3.92 4.23 0.23 3.25 2.12 -1.13 -4.74 118.70 118.75 2ee2 s GLU 40 Ca 0.12 0.64 -0.30 0.00 0.36 0.00 0.00 54.97 55.79 2ee2 s GLU 40 Cb 0.02 -3.31 -0.10 0.00 0.26 0.00 0.00 34.13 31.00 2ee2 s GLU 40 CO -0.03 0.45 1.48 -1.01 -0.54 0.00 0.00 175.26 175.61 2ee2 s HIS 41 N -0.42 3.01 0.54 5.30 3.76 -1.26 -4.46 115.29 121.76 2ee2 s HIS 41 Ca 0.29 0.91 -0.10 0.00 -0.15 0.00 0.00 55.06 56.01 2ee2 s HIS 41 Cb -0.18 -3.87 -0.05 0.00 1.11 0.00 0.00 32.58 29.60 2ee2 s HIS 41 CO 0.16 -2.92 0.93 0.14 -0.85 0.00 0.00 174.74 172.20 2ee2 s VAL 42 N 0.27 4.74 0.33 -0.90 -7.23 -1.26 -4.97 120.40 111.38 2ee2 s VAL 42 Ca 0.62 0.73 0.22 0.00 -1.81 0.00 0.00 61.98 61.74 2ee2 s VAL 42 Cb -0.43 -3.83 0.21 0.00 0.56 0.00 0.00 36.38 32.89 2ee2 s VAL 42 CO 0.41 -0.93 1.92 0.17 -0.31 0.00 0.00 175.10 176.37 2ee2 h LEU 43 N 0.20 0.00 -8.33 1.32 8.10 -1.94 -3.39 115.31 111.27 2ee2 h LEU 43 Ca -0.46 0.00 -0.55 0.00 0.11 0.00 0.00 57.88 56.98 2ee2 h LEU 43 Cb 1.19 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 41.33 2ee2 h LEU 43 CO 0.62 0.24 1.07 -1.61 -4.11 0.00 0.00 178.44 174.64 2ee2 s GLU 44 N -4.04 3.23 0.00 0.17 0.41 -1.26 -4.83 118.70 112.38 2ee2 s GLU 44 Ca -0.02 -0.37 0.31 0.00 -0.41 0.00 0.00 54.97 54.48 2ee2 s GLU 44 Cb 0.13 -4.30 1.82 0.00 -1.78 0.00 0.00 34.13 30.00 2ee2 s GLU 44 CO 0.64 -2.13 2.15 1.63 -0.49 0.00 0.00 175.26 177.06 2ee2 n LYS 45 N 9.21 0.96 0.16 1.61 4.76 -1.26 -3.14 118.16 130.46 2ee2 n LYS 45 Ca 0.06 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.63 2ee2 n LYS 45 Cb 0.49 -1.50 0.39 0.00 -1.84 0.00 0.00 35.03 32.57 2ee2 n LYS 45 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 2ee2 h ILE 46 N 0.00 0.00 -3.10 -0.18 -0.00 -1.96 -3.46 117.51 108.81 2ee2 h ILE 46 Ca 0.00 -0.58 -0.58 0.00 -0.00 0.00 0.00 64.86 63.70 2ee2 h ILE 46 Cb 0.00 1.54 0.16 0.00 -0.00 0.00 0.00 36.82 38.51 2ee2 h ILE 46 CO 0.00 0.00 -0.09 1.33 -0.00 0.00 0.00 178.15 179.39 2ee2 n VAL 47 N -2.59 2.69 -0.04 0.16 0.24 -1.19 -4.75 118.33 112.85 2ee2 n VAL 47 Ca 0.04 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.34 61.65 2ee2 n VAL 47 Cb 0.41 -0.93 -0.13 0.00 -1.47 0.00 0.00 33.84 31.72 2ee2 n VAL 47 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2ee2 h GLU 48 N 0.71 0.11 -1.66 7.34 4.39 -1.89 -3.47 114.58 120.12 2ee2 h GLU 48 Ca -0.46 -0.20 0.24 0.00 0.34 0.00 0.00 59.36 59.29 2ee2 h GLU 48 Cb 1.37 0.07 -0.16 0.00 -0.10 0.00 0.00 28.75 29.93 2ee2 h GLU 48 CO 0.51 1.09 0.74 -1.12 -1.16 0.00 0.00 179.01 179.08 2ee2 s SER 49 N -6.73 -0.16 -0.48 1.42 0.01 -1.25 -4.02 113.70 102.48 2ee2 s SER 49 Ca -0.21 -0.05 -0.21 0.00 1.31 0.00 0.00 55.95 56.80 2ee2 s SER 49 Cb 0.02 0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.50 2ee2 s SER 49 CO 0.71 -0.35 0.68 -0.31 0.41 0.00 0.00 173.24 174.38 2ee2 s TYR 50 N -2.59 3.01 -0.25 2.43 1.51 -1.20 -3.70 117.35 116.56 2ee2 s TYR 50 Ca 0.10 -0.25 -0.29 0.00 -1.01 0.00 0.00 57.07 55.62 2ee2 s TYR 50 Cb 0.00 -3.54 0.01 0.00 -0.11 0.00 0.00 41.96 38.32 2ee2 s TYR 50 CO -0.05 -1.01 1.13 1.14 -1.11 0.00 0.00 175.55 175.64 2ee2 s GLN 51 N 2.92 4.15 -0.63 -0.62 -2.07 -1.19 -3.84 119.66 118.39 2ee2 s GLN 51 Ca 0.21 1.32 -0.13 0.00 -1.82 0.00 0.00 55.36 54.94 2ee2 s GLN 51 Cb -0.16 -3.72 0.16 0.00 -1.09 0.00 0.00 33.01 28.20 2ee2 s GLN 51 CO 0.16 -0.79 0.55 0.42 -1.32 0.00 0.00 175.29 174.32 2ee2 s ILE 52 N 3.54 5.02 -0.16 3.63 1.09 -1.23 -2.50 121.20 130.59 2ee2 s ILE 52 Ca 0.48 -2.01 -0.23 0.00 -1.10 0.00 0.00 60.65 57.79 2ee2 s ILE 52 Cb -0.16 -4.19 -0.02 0.00 -1.06 0.00 0.00 42.46 37.03 2ee2 s ILE 52 CO 0.13 -0.91 0.72 -0.60 -0.10 0.00 0.00 174.94 174.18 2ee2 s ARG 53 N 0.93 4.29 -0.02 2.79 3.52 0.19 -2.56 118.95 128.09 2ee2 s ARG 53 Ca 0.10 0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 56.51 2ee2 s ARG 53 Cb -0.22 -3.55 0.01 0.00 -1.56 0.00 0.00 34.95 29.63 2ee2 s ARG 53 CO -0.02 -0.22 0.04 1.52 -0.81 0.00 0.00 175.30 175.81 2ee2 s TYR 54 N 1.80 -0.02 0.14 5.12 1.13 -0.87 -0.70 117.35 123.94 2ee2 s TYR 54 Ca 0.34 0.13 -0.24 0.00 -1.41 0.00 0.00 57.07 55.89 2ee2 s TYR 54 Cb -0.16 -0.07 0.07 0.00 -1.10 0.00 0.00 41.96 40.69 2ee2 s TYR 54 CO 0.13 -0.05 0.61 1.67 -2.51 0.00 0.00 175.55 175.40 2ee2 s TRP 55 N 0.43 -0.55 0.50 -3.49 -2.14 -1.23 -3.17 118.94 109.28 2ee2 s TRP 55 Ca -0.03 0.42 -0.23 0.00 2.66 0.00 0.00 56.10 58.92 2ee2 s TRP 55 Cb -0.05 0.54 -0.06 0.00 -3.10 0.00 0.00 33.47 30.80 2ee2 s TRP 55 CO -0.01 -0.82 1.28 0.00 -2.66 0.00 0.00 176.95 174.73 2ee2 s ALA 56 N -3.45 2.93 0.32 2.67 0.00 -1.26 -1.02 121.76 121.95 2ee2 s ALA 56 Ca -0.00 1.17 0.10 0.00 0.00 0.00 0.00 51.96 53.22 2ee2 s ALA 56 Cb -0.01 -3.49 0.91 0.00 0.00 0.00 0.00 23.12 20.54 2ee2 s ALA 56 CO -0.10 -1.03 1.70 0.00 0.00 0.00 0.00 175.76 176.33 2ee2 h ALA 57 N 1.82 1.76 -0.19 0.00 0.00 -1.79 0.14 119.26 121.01 2ee2 h ALA 57 Ca -0.50 0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 2ee2 h ALA 57 Cb 1.27 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.15 2ee2 h ALA 57 CO 0.59 -0.37 -0.59 1.12 0.00 0.00 0.00 179.25 180.00 2ee2 h HIS 58 N 0.47 0.96 -2.57 0.00 -0.00 -1.90 -3.45 115.15 108.66 2ee2 h HIS 58 Ca 0.65 -0.39 -0.46 0.00 -0.00 0.00 0.00 60.37 60.17 2ee2 h HIS 58 Cb 1.32 -0.16 0.23 0.00 -0.00 0.00 0.00 27.41 28.80 2ee2 h HIS 58 CO -0.04 1.20 -0.86 -0.25 -0.00 0.00 0.00 177.93 177.98 2ee2 n ASP 59 N -4.07 -2.23 -4.70 3.10 8.00 0.50 -5.03 116.55 112.12 2ee2 n ASP 59 Ca -0.06 -0.08 -0.25 0.00 0.71 0.00 0.00 54.79 55.10 2ee2 n ASP 59 Cb 0.65 -1.03 -0.08 0.00 -0.02 0.00 0.00 41.12 40.64 2ee2 n ASP 59 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ee2 s LYS 60 N -3.62 2.17 0.47 -1.24 1.02 -1.26 -4.82 119.74 112.45 2ee2 s LYS 60 Ca 0.58 -1.85 0.18 0.00 0.02 0.00 0.00 55.97 54.90 2ee2 s LYS 60 Cb -0.15 -1.93 1.14 0.00 -0.52 0.00 0.00 37.83 36.37 2ee2 s LYS 60 CO 0.66 -0.05 2.02 1.05 -0.92 0.00 0.00 175.35 178.12 2ee2 h GLU 61 N 1.56 0.00 0.00 1.68 9.09 -1.95 -1.71 114.58 123.24 2ee2 h GLU 61 Ca -0.43 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 58.90 2ee2 h GLU 61 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 2ee2 h GLU 61 CO 0.71 0.16 -0.37 1.05 0.05 0.00 0.00 179.01 180.60 2ee2 h GLU 62 N 0.00 0.00 -0.54 1.06 -0.00 -2.03 -2.54 114.58 110.52 2ee2 h GLU 62 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2ee2 h GLU 62 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.06 2ee2 h GLU 62 CO 0.02 0.37 0.00 0.00 -0.00 0.00 0.00 179.01 179.40 2ee2 n ALA 63 N -2.42 2.97 -2.46 1.06 0.00 -0.69 -4.96 120.51 114.01 2ee2 n ALA 63 Ca -0.02 -1.67 -0.39 0.00 0.00 0.00 0.00 53.44 51.37 2ee2 n ALA 63 Cb 0.42 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 2ee2 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ee2 s ALA 64 N -1.92 3.43 0.37 0.00 0.00 -0.89 -4.85 121.76 117.91 2ee2 s ALA 64 Ca 0.46 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 2ee2 s ALA 64 Cb 0.31 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 2ee2 s ALA 64 CO 0.20 0.11 0.62 -0.80 0.00 0.00 0.00 175.76 175.90 2ee2 s ASN 65 N -0.10 6.32 -0.02 0.00 -0.87 -1.19 -4.91 114.94 114.18 2ee2 s ASN 65 Ca 0.34 0.65 0.01 0.00 -1.57 0.00 0.00 52.86 52.29 2ee2 s ASN 65 Cb -0.19 -2.12 0.01 0.00 -0.02 0.00 0.00 41.25 38.93 2ee2 s ASN 65 CO 0.20 -0.36 -0.02 -0.13 -2.57 0.00 0.00 177.10 174.22 2ee2 s ARG 66 N -4.27 0.30 -0.64 -0.60 0.52 -1.26 -2.04 118.95 110.96 2ee2 s ARG 66 Ca 0.43 -0.03 -0.06 0.00 -0.52 0.00 0.00 55.73 55.55 2ee2 s ARG 66 Cb -0.10 -0.38 0.17 0.00 0.52 0.00 0.00 34.95 35.16 2ee2 s ARG 66 CO 0.37 -0.03 0.49 0.08 0.02 0.00 0.00 175.30 176.23 2ee2 s VAL 67 N 0.46 4.18 -0.55 3.52 1.01 -1.06 -4.87 120.40 123.09 2ee2 s VAL 67 Ca -0.05 -2.66 -0.28 0.00 0.00 0.00 0.00 61.98 58.99 2ee2 s VAL 67 Cb -0.07 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2ee2 s VAL 67 CO -0.01 -0.89 1.35 -1.58 0.00 0.00 0.00 175.10 173.97 2ee2 s GLN 68 N 0.22 3.39 0.26 2.72 0.74 -1.26 -3.54 119.66 122.19 2ee2 s GLN 68 Ca 0.15 0.43 0.10 0.00 0.05 0.00 0.00 55.36 56.09 2ee2 s GLN 68 Cb -0.19 -4.08 -0.04 0.00 1.10 0.00 0.00 33.01 29.80 2ee2 s GLN 68 CO -0.04 -1.83 -0.01 0.14 -0.55 0.00 0.00 175.29 173.00 2ee2 s VAL 69 N 5.67 3.43 0.21 1.34 -7.23 -1.25 -4.98 120.40 117.59 2ee2 s VAL 69 Ca 0.50 -1.91 -0.32 0.00 -1.81 0.00 0.00 61.98 58.45 2ee2 s VAL 69 Cb -0.10 -2.83 -0.15 0.00 0.56 0.00 0.00 36.38 33.87 2ee2 s VAL 69 CO 0.26 -0.37 1.25 1.07 -0.31 0.00 0.00 175.10 177.00 2ee2 n THR 70 N -0.86 1.03 0.33 5.32 5.66 -1.26 -3.21 114.28 121.29 2ee2 n THR 70 Ca -0.07 -0.26 0.18 0.00 -3.05 0.00 0.00 64.05 60.85 2ee2 n THR 70 Cb 0.59 -1.13 0.93 0.00 -1.55 0.00 0.00 70.33 69.17 2ee2 n THR 70 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2ee2 h SER 71 N 3.58 0.00 0.60 1.09 0.02 -1.92 0.24 113.55 117.17 2ee2 h SER 71 Ca -0.44 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.46 2ee2 h SER 71 Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 2ee2 h SER 71 CO 0.71 0.00 -0.27 1.56 -1.14 0.00 0.00 176.83 177.70 2ee2 h GLN 72 N 0.00 0.00 -6.09 3.45 4.20 -1.93 -3.40 115.11 111.34 2ee2 h GLN 72 Ca 0.01 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.22 2ee2 h GLN 72 Cb 0.49 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.21 2ee2 h GLN 72 CO -0.00 0.27 1.18 -1.21 -0.67 0.00 0.00 178.83 178.39 2ee2 s GLU 73 N -3.93 2.99 0.58 1.46 0.41 0.84 -4.83 118.70 116.22 2ee2 s GLU 73 Ca -0.01 -0.15 0.30 0.00 -0.41 0.00 0.00 54.97 54.69 2ee2 s GLU 73 Cb 0.12 -4.61 1.42 0.00 -1.78 0.00 0.00 34.13 29.29 2ee2 s GLU 73 CO 0.65 -2.54 1.81 1.88 -0.49 0.00 0.00 175.26 176.57 2ee2 h TYR 74 N 11.70 0.00 -4.38 1.61 -1.99 -1.85 -3.42 116.97 118.64 2ee2 h TYR 74 Ca -0.12 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.41 2ee2 h TYR 74 Cb 1.07 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.66 2ee2 h TYR 74 CO 1.15 0.00 -0.50 -1.54 -0.00 0.00 0.00 178.16 177.27 2ee2 s SER 75 N -5.04 0.12 0.30 3.88 1.04 -1.26 -2.44 113.70 110.30 2ee2 s SER 75 Ca -0.04 -1.29 0.03 0.00 0.48 0.00 0.00 55.95 55.12 2ee2 s SER 75 Cb 0.17 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.67 2ee2 s SER 75 CO 0.61 -0.92 0.09 0.00 0.98 0.00 0.00 173.24 174.01 2ee2 s ALA 76 N -4.11 2.09 0.02 5.32 0.00 -0.31 -4.94 121.76 119.84 2ee2 s ALA 76 Ca 0.35 -1.87 0.06 0.00 0.00 0.00 0.00 51.96 50.50 2ee2 s ALA 76 Cb 0.05 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 24.04 2ee2 s ALA 76 CO 0.12 -0.40 -0.18 0.50 0.00 0.00 0.00 175.76 175.80 2ee2 s ARG 77 N -3.93 1.28 0.05 0.00 3.52 -1.26 -0.17 118.95 118.44 2ee2 s ARG 77 Ca 0.36 -0.77 0.07 0.00 -0.13 0.00 0.00 55.73 55.26 2ee2 s ARG 77 Cb 0.07 -1.31 -0.03 0.00 -1.56 0.00 0.00 34.95 32.12 2ee2 s ARG 77 CO 0.15 0.34 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.28 2ee2 s LEU 78 N -0.87 2.58 0.10 -0.88 1.43 0.24 -4.97 118.68 116.31 2ee2 s LEU 78 Ca 0.06 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2ee2 s LEU 78 Cb -0.08 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 2ee2 s LEU 78 CO 0.01 0.25 0.07 -1.61 0.23 0.00 0.00 176.35 175.29 2ee2 s GLU 79 N -1.49 0.84 -0.72 1.70 2.02 -1.26 -2.37 118.70 117.41 2ee2 s GLU 79 Ca 0.15 -1.29 -0.04 0.00 0.02 0.00 0.00 54.97 53.81 2ee2 s GLU 79 Cb -0.10 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.39 2ee2 s GLU 79 CO 0.05 -0.23 0.62 0.09 0.02 0.00 0.00 175.26 175.82 2ee2 n ASN 80 N -0.03 -3.77 -4.75 -0.19 3.02 -1.21 -4.98 115.26 103.35 2ee2 n ASN 80 Ca -0.10 -0.31 -0.33 0.00 -0.03 0.00 0.00 54.58 53.81 2ee2 n ASN 80 Cb 0.63 -3.00 -0.08 0.00 -0.61 0.00 0.00 39.78 36.72 2ee2 n ASN 80 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ee2 s LEU 81 N -4.44 3.79 0.42 3.41 1.43 -1.26 -5.07 118.68 116.95 2ee2 s LEU 81 Ca 0.24 0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.21 2ee2 s LEU 81 Cb -0.10 -2.13 -0.08 0.00 0.03 0.00 0.00 46.19 43.90 2ee2 s LEU 81 CO 0.40 0.30 1.23 -0.76 0.23 0.00 0.00 176.35 177.74 2ee2 s LEU 82 N -1.53 4.16 0.65 1.79 1.43 -1.26 -3.96 118.68 119.95 2ee2 s LEU 82 Ca 0.20 2.47 -0.15 0.00 -1.03 0.00 0.00 54.13 55.62 2ee2 s LEU 82 Cb -0.12 -4.02 -0.01 0.00 0.03 0.00 0.00 46.19 42.08 2ee2 s LEU 82 CO 0.11 -0.82 1.11 -2.16 0.23 0.00 0.00 176.35 174.82 2ee2 s PRO 83 N -2.36 2.86 -1.16 1.29 0.04 -1.26 -3.61 135.00 130.81 2ee2 s PRO 83 Ca 0.59 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 2ee2 s PRO 83 Cb -0.34 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.27 2ee2 s PRO 83 CO 0.42 -1.21 0.06 -3.47 0.04 0.00 0.00 177.00 172.84 2ee2 n ASP 84 N -2.30 0.42 -4.14 6.66 -0.08 0.87 -4.88 116.55 113.09 2ee2 n ASP 84 Ca 0.10 -0.93 -0.24 0.00 -1.51 0.00 0.00 54.79 52.21 2ee2 n ASP 84 Cb 0.52 -1.16 -0.15 0.00 2.34 0.00 0.00 41.12 42.67 2ee2 n ASP 84 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2ee2 s THR 85 N -3.82 1.31 -0.09 5.18 2.01 -1.24 -4.92 115.64 114.07 2ee2 s THR 85 Ca 0.08 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 2ee2 s THR 85 Cb -0.05 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 2ee2 s THR 85 CO 0.73 0.38 1.02 -1.58 -0.69 0.00 0.00 174.62 174.48 2ee2 s GLN 86 N -0.26 4.42 -0.17 4.92 0.74 -1.26 -3.31 119.66 124.75 2ee2 s GLN 86 Ca 0.03 1.42 0.01 0.00 0.05 0.00 0.00 55.36 56.87 2ee2 s GLN 86 Cb -0.08 -3.54 0.03 0.00 1.10 0.00 0.00 33.01 30.52 2ee2 s GLN 86 CO 0.00 -0.31 -0.14 0.71 -0.55 0.00 0.00 175.29 175.00 2ee2 s TYR 87 N 1.97 2.37 -0.83 1.67 1.51 -0.80 -2.01 117.35 121.23 2ee2 s TYR 87 Ca 0.49 -1.41 -0.26 0.00 -1.01 0.00 0.00 57.07 54.89 2ee2 s TYR 87 Cb -0.19 -1.68 0.03 0.00 -0.11 0.00 0.00 41.96 40.02 2ee2 s TYR 87 CO 0.19 -0.72 1.36 -0.06 -1.11 0.00 0.00 175.55 175.21 2ee2 s PHE 88 N 1.42 2.34 0.29 2.71 0.08 -0.19 -1.13 117.98 123.51 2ee2 s PHE 88 Ca 0.03 -0.28 -0.14 0.00 0.12 0.00 0.00 56.93 56.67 2ee2 s PHE 88 Cb -0.14 -4.63 -0.09 0.00 -0.57 0.00 0.00 43.02 37.60 2ee2 s PHE 88 CO -0.11 -2.03 0.69 0.42 -0.10 0.00 0.00 175.22 174.09 2ee2 s ILE 89 N 5.65 4.73 -0.27 0.64 1.01 0.17 -3.54 121.20 129.59 2ee2 s ILE 89 Ca 0.40 0.86 -0.13 0.00 0.00 0.00 0.00 60.65 61.78 2ee2 s ILE 89 Cb -0.05 -3.63 0.09 0.00 0.01 0.00 0.00 42.46 38.88 2ee2 s ILE 89 CO 0.07 -0.13 0.64 -0.70 0.00 0.00 0.00 174.94 174.82 2ee2 s GLU 90 N -2.87 0.63 -0.15 2.79 2.12 0.12 -1.86 118.70 119.48 2ee2 s GLU 90 Ca 0.52 1.25 -0.00 0.00 0.36 0.00 0.00 54.97 57.10 2ee2 s GLU 90 Cb -0.11 0.35 -0.01 0.00 0.26 0.00 0.00 34.13 34.62 2ee2 s GLU 90 CO 0.18 -0.17 -0.13 0.08 -0.54 0.00 0.00 175.26 174.69 2ee2 s VAL 91 N 2.03 2.95 -0.05 3.70 1.01 -1.26 -0.64 120.40 128.14 2ee2 s VAL 91 Ca -0.08 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2ee2 s VAL 91 Cb -0.08 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.08 2ee2 s VAL 91 CO -0.19 0.51 0.03 -0.83 0.00 0.00 0.00 175.10 174.62 2ee2 s GLY 92 N 0.62 0.34 -0.15 4.51 0.00 -1.04 -2.96 107.32 108.64 2ee2 s GLY 92 Ca -0.07 0.04 -0.29 0.00 0.00 0.00 0.00 44.72 44.39 2ee2 s GLY 92 CO 0.03 1.21 1.13 0.00 0.00 0.00 0.00 173.10 175.47 2ee2 s ALA 93 N 1.99 3.58 -0.18 3.20 0.00 -1.26 -3.19 121.76 125.90 2ee2 s ALA 93 Ca 0.04 0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 2ee2 s ALA 93 Cb -0.12 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.51 2ee2 s ALA 93 CO -0.04 -0.92 0.49 0.00 0.00 0.00 0.00 175.76 175.29 2ee2 s ASN 95 N 0.23 5.19 0.35 0.00 4.22 -1.23 -3.39 114.94 120.31 2ee2 s ASN 95 Ca -0.00 -0.73 0.15 0.00 -2.14 0.00 0.00 52.86 50.14 2ee2 s ASN 95 Cb -0.03 -0.34 0.65 0.00 1.28 0.00 0.00 41.25 42.80 2ee2 s ASN 95 CO 0.01 -0.85 1.75 -1.28 -2.04 0.00 0.00 177.10 174.69 2ee2 h SER 96 N 0.75 0.00 0.00 3.54 0.87 -1.95 -3.33 113.55 113.42 2ee2 h SER 96 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2ee2 h SER 96 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2ee2 h SER 96 CO 0.51 0.43 0.00 0.00 -0.53 0.00 0.00 176.83 177.24 2ee2 n ALA 97 N -2.38 -0.30 -2.62 6.23 0.00 -1.26 -4.88 120.51 115.30 2ee2 n ALA 97 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 2ee2 n ALA 97 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 2ee2 n ALA 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ee2 s GLY 98 N -0.84 1.69 -0.14 0.00 0.00 -1.25 -4.95 107.32 101.84 2ee2 s GLY 98 Ca 0.00 -1.67 -0.16 0.00 0.00 0.00 0.00 44.72 42.89 2ee2 s GLY 98 CO 0.00 -1.74 0.39 0.00 0.00 0.00 0.00 173.10 171.75 2ee2 s GLY 100 N 0.57 1.80 0.35 0.00 0.00 -1.26 -4.79 107.32 103.98 2ee2 s GLY 100 Ca 0.21 -1.26 -0.28 0.00 0.00 0.00 0.00 44.72 43.39 2ee2 s GLY 100 CO 0.07 -1.26 1.21 2.56 0.00 0.00 0.00 173.10 175.68 2ee2 s PRO 101 N -2.52 4.30 0.98 2.90 0.04 -1.26 -4.87 135.00 134.56 2ee2 s PRO 101 Ca 0.25 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 2ee2 s PRO 101 Cb -0.10 -2.94 0.18 0.00 0.04 0.00 0.00 34.50 31.67 2ee2 s PRO 101 CO 0.17 -0.16 1.09 -1.25 0.04 0.00 0.00 177.00 176.89 2ee2 s PRO 102 N -1.91 0.58 0.39 0.56 0.04 -1.26 -4.65 135.00 128.75 2ee2 s PRO 102 Ca 0.51 0.58 -0.03 0.00 0.04 0.00 0.00 61.00 62.10 2ee2 s PRO 102 Cb -0.35 -1.75 0.08 0.00 0.04 0.00 0.00 34.50 32.53 2ee2 s PRO 102 CO 0.45 -2.64 0.54 -1.13 0.04 0.00 0.00 177.00 174.26 2ee2 n SER 103 N -4.12 0.47 -4.77 6.66 3.41 -1.15 -4.98 113.62 109.14 2ee2 n SER 103 Ca 0.06 -1.46 -0.39 0.00 -0.26 0.00 0.00 58.87 56.82 2ee2 n SER 103 Cb 0.57 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2ee2 n SER 103 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ee2 s ASP 104 N -3.11 6.12 -0.42 4.04 -1.08 -1.26 -4.87 116.67 116.09 2ee2 s ASP 104 Ca 0.34 2.68 -0.29 0.00 -0.52 0.00 0.00 52.55 54.76 2ee2 s ASP 104 Cb -0.02 -2.64 0.01 0.00 -1.46 0.00 0.00 42.92 38.82 2ee2 s ASP 104 CO 0.23 -0.98 1.43 -0.32 0.52 0.00 0.00 175.17 176.05 2ee2 s MET 105 N -2.38 3.54 0.08 4.34 -2.45 -1.26 -4.71 119.30 116.46 2ee2 s MET 105 Ca 0.60 0.92 0.02 0.00 -1.25 0.00 0.00 55.69 55.98 2ee2 s MET 105 Cb -0.38 -4.04 -0.04 0.00 1.25 0.00 0.00 34.83 31.61 2ee2 s MET 105 CO 0.49 -1.62 0.12 0.42 1.05 0.00 0.00 175.02 175.49 2ee2 s ILE 106 N 5.57 4.77 0.04 10.11 1.01 -0.77 -5.02 121.20 136.91 2ee2 s ILE 106 Ca 0.62 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.64 2ee2 s ILE 106 Cb -0.14 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2ee2 s ILE 106 CO 0.32 0.10 -0.21 -1.83 0.00 0.00 0.00 174.94 173.32 2ee2 s GLU 107 N -2.51 1.99 0.16 2.79 1.03 -1.26 -0.66 118.70 120.24 2ee2 s GLU 107 Ca 0.31 -1.02 0.09 0.00 0.03 0.00 0.00 54.97 54.38 2ee2 s GLU 107 Cb -0.12 -2.12 -0.04 0.00 -0.80 0.00 0.00 34.13 31.05 2ee2 s GLU 107 CO 0.24 0.53 -0.20 0.00 -1.33 0.00 0.00 175.26 174.50 2ee2 s ALA 108 N -0.87 2.08 -0.26 -0.84 0.00 -0.28 -4.90 121.76 116.69 2ee2 s ALA 108 Ca 0.13 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 2ee2 s ALA 108 Cb -0.10 -0.23 0.08 0.00 0.00 0.00 0.00 23.12 22.87 2ee2 s ALA 108 CO 0.04 0.30 0.05 -0.06 0.00 0.00 0.00 175.76 176.09 2ee2 s PHE 109 N -1.80 1.54 1.10 0.00 0.40 -1.26 -1.91 117.98 116.05 2ee2 s PHE 109 Ca 0.15 -1.41 -0.15 0.00 -0.60 0.00 0.00 56.93 54.93 2ee2 s PHE 109 Cb -0.07 -1.44 0.24 0.00 0.51 0.00 0.00 43.02 42.27 2ee2 s PHE 109 CO 0.07 -0.76 1.08 0.95 0.70 0.00 0.00 175.22 177.25 2ee2 s THR 110 N 1.68 1.87 0.52 0.64 -4.23 -1.21 -4.95 115.64 109.96 2ee2 s THR 110 Ca 0.04 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 2ee2 s THR 110 Cb -0.17 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.28 2ee2 s THR 110 CO -0.16 0.00 0.75 -0.54 -0.54 0.00 0.00 174.62 174.13 2ee2 s LYS 111 N -5.00 2.74 0.12 3.99 -0.14 -1.26 -3.93 119.74 116.26 2ee2 s LYS 111 Ca 0.67 -0.61 -0.30 0.00 -1.36 0.00 0.00 55.97 54.37 2ee2 s LYS 111 Cb -0.17 -2.49 -0.07 0.00 -1.68 0.00 0.00 37.83 33.42 2ee2 s LYS 111 CO 0.58 -0.58 1.16 0.15 -0.76 0.00 0.00 175.35 175.90 2ee2 s LYS 112 N -4.72 4.50 0.06 1.68 1.02 -1.26 -0.09 119.74 120.93 2ee2 s LYS 112 Ca 0.54 1.76 -0.38 0.00 0.02 0.00 0.00 55.97 57.91 2ee2 s LYS 112 Cb -0.10 -3.31 -0.21 0.00 -0.52 0.00 0.00 37.83 33.69 2ee2 s LYS 112 CO 0.39 -0.11 1.57 0.00 -0.92 0.00 0.00 175.35 176.28 2ee2 h ALA 113 N 5.96 -1.33 -2.93 5.17 0.00 -1.97 -3.46 119.26 120.71 2ee2 h ALA 113 Ca -0.43 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.03 2ee2 h ALA 113 Cb 1.21 0.52 -0.22 0.00 0.00 0.00 0.00 17.79 19.31 2ee2 h ALA 113 CO 0.77 -1.25 -0.58 -1.54 0.00 0.00 0.00 179.25 176.65 2ee2 s SER 114 N -4.03 0.08 -0.02 0.00 1.04 -1.26 -5.09 113.70 104.42 2ee2 s SER 114 Ca -0.20 -0.26 -0.14 0.00 0.48 0.00 0.00 55.95 55.84 2ee2 s SER 114 Cb 0.02 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.36 2ee2 s SER 114 CO 0.60 -0.30 0.62 0.61 0.98 0.00 0.00 173.24 175.75 2ee2 n GLY 115 N 1.70 0.39 0.02 7.32 0.00 -1.26 -4.99 105.19 108.38 2ee2 n GLY 115 Ca -0.22 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 44.95 2ee2 n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ee2 n PRO 116 N -0.45 0.03 -2.47 1.61 -0.04 -1.26 -4.76 135.00 127.67 2ee2 n PRO 116 Ca 0.02 0.28 -0.41 0.00 -0.04 0.00 0.00 63.50 63.36 2ee2 n PRO 116 Cb 0.28 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 2ee2 n PRO 116 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ee2 s SER 117 N -3.22 7.24 -0.13 3.54 0.15 -1.26 -5.04 113.70 114.98 2ee2 s SER 117 Ca 0.06 2.22 -0.20 0.00 0.70 0.00 0.00 55.95 58.74 2ee2 s SER 117 Cb 0.09 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.83 2ee2 s SER 117 CO 0.28 -0.19 0.51 -0.44 1.20 0.00 0.00 173.24 174.60 2ee2 s SER 118 N -0.55 -0.49 0.00 5.45 0.01 -1.26 -5.10 113.70 111.75 2ee2 s SER 118 Ca 0.47 0.78 0.13 0.00 1.31 0.00 0.00 55.95 58.64 2ee2 s SER 118 Cb -0.31 0.80 0.79 0.00 0.21 0.00 0.00 66.02 67.51 2ee2 s SER 118 CO 0.39 -0.32 1.22 0.61 0.41 0.00 0.00 173.24 175.55