#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1occ s VAL 5 N 0.00 4.81 -0.10 0.44 1.01 -1.26 -5.04 120.40 120.26 1occ s VAL 5 Ca 0.00 1.27 -0.03 0.00 0.00 0.00 0.00 61.98 63.22 1occ s VAL 5 Cb 0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1occ s VAL 5 CO 0.00 0.47 0.02 -0.69 0.00 0.00 0.00 175.10 174.90 1occ s VAL 6 N -0.57 4.45 0.09 2.92 1.01 -1.26 -5.12 120.40 121.92 1occ s VAL 6 Ca 0.31 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.20 1occ s VAL 6 Cb -0.19 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1occ s VAL 6 CO 0.18 0.59 -0.25 -0.54 0.00 0.00 0.00 175.10 175.08 1occ s LYS 7 N -0.72 1.64 0.30 2.72 1.02 -1.26 -5.04 119.74 118.40 1occ s LYS 7 Ca 0.11 -1.22 0.05 0.00 0.02 0.00 0.00 55.97 54.93 1occ s LYS 7 Cb -0.12 -1.98 0.68 0.00 -0.52 0.00 0.00 37.83 35.90 1occ s LYS 7 CO 0.02 0.48 1.81 0.77 -0.92 0.00 0.00 175.35 177.52 1occ h SER 8 N 4.22 0.82 0.31 2.83 0.02 -2.04 -0.54 113.55 119.17 1occ h SER 8 Ca -0.49 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1occ h SER 8 Cb 1.16 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1occ h SER 8 CO 0.42 0.37 0.00 -0.62 -1.14 0.00 0.00 176.83 175.86 1occ n GLU 9 N -4.67 0.04 -0.14 3.45 4.71 -1.26 -1.92 120.64 120.85 1occ n GLU 9 Ca 0.21 0.39 0.02 0.00 -0.01 0.00 0.00 57.16 57.77 1occ n GLU 9 Cb 0.47 -1.58 0.08 0.00 -1.01 0.00 0.00 31.44 29.40 1occ n GLU 9 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1occ n ASP 10 N -1.65 1.50 0.04 1.62 8.00 -0.21 -4.27 116.55 121.58 1occ n ASP 10 Ca 0.02 -2.11 0.19 0.00 0.71 0.00 0.00 54.79 53.59 1occ n ASP 10 Cb 0.11 -0.35 0.69 0.00 -0.02 0.00 0.00 41.12 41.55 1occ n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1occ h TYR 11 N 0.88 0.00 -0.01 1.24 -0.00 -1.57 -1.05 116.97 116.47 1occ h TYR 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1occ h TYR 11 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.28 1occ h TYR 11 CO 0.18 0.00 -0.23 0.00 -0.00 0.00 0.00 178.16 178.11 1occ n ALA 12 N -2.61 3.02 -2.90 0.10 0.00 -1.26 -4.91 120.51 111.95 1occ n ALA 12 Ca 0.08 -0.40 -0.24 0.00 0.00 0.00 0.00 53.44 52.88 1occ n ALA 12 Cb 0.53 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 1occ n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1occ s LEU 13 N -2.46 4.28 0.65 0.00 1.43 -0.40 -5.07 118.68 117.12 1occ s LEU 13 Ca 0.26 0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.37 1occ s LEU 13 Cb 0.19 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 1occ s LEU 13 CO 0.50 -0.05 1.14 -2.65 0.23 0.00 0.00 176.35 175.52 1occ n PRO 14 N -1.08 0.93 -4.27 1.29 -0.02 -1.26 -5.01 135.00 125.58 1occ n PRO 14 Ca -0.07 0.37 -0.14 0.00 -2.02 0.00 0.00 63.50 61.63 1occ n PRO 14 Cb 0.56 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 1occ n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1occ s SER 15 N -1.40 1.15 0.14 2.55 1.04 -1.26 -4.94 113.70 110.97 1occ s SER 15 Ca 0.79 -1.26 -0.08 0.00 0.48 0.00 0.00 55.95 55.88 1occ s SER 15 Cb -0.38 0.15 -0.06 0.00 0.10 0.00 0.00 66.02 65.82 1occ s SER 15 CO 0.44 -0.64 0.43 -0.47 0.98 0.00 0.00 173.24 173.97 1occ s TYR 16 N -3.72 3.51 -0.27 5.02 5.04 -1.26 -4.01 117.35 121.65 1occ s TYR 16 Ca 0.30 0.73 -0.18 0.00 -2.44 0.00 0.00 57.07 55.48 1occ s TYR 16 Cb 0.07 -2.13 0.08 0.00 0.35 0.00 0.00 41.96 40.33 1occ s TYR 16 CO 0.08 0.43 0.69 0.54 -1.34 0.00 0.00 175.55 175.95 1occ s VAL 17 N -1.59 -0.00 -0.47 3.14 0.11 -1.26 -5.06 120.40 115.27 1occ s VAL 17 Ca 0.39 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.26 1occ s VAL 17 Cb -0.13 -0.99 0.05 0.00 -1.53 0.00 0.00 36.38 33.78 1occ s VAL 17 CO 0.21 0.00 0.53 -1.81 -3.33 0.00 0.00 175.10 170.70 1occ s ASP 18 N 1.38 6.21 -0.22 3.54 1.01 -1.26 -4.55 116.67 122.77 1occ s ASP 18 Ca -0.08 -0.89 -0.10 0.00 0.71 0.00 0.00 52.55 52.19 1occ s ASP 18 Cb -0.05 -2.25 0.09 0.00 1.01 0.00 0.00 42.92 41.71 1occ s ASP 18 CO -0.16 -0.75 0.51 0.00 0.21 0.00 0.00 175.17 174.98 1occ s ARG 19 N 2.32 0.46 0.26 8.23 1.70 -1.26 -5.05 118.95 125.61 1occ s ARG 19 Ca 0.13 1.08 0.11 0.00 -0.47 0.00 0.00 55.73 56.58 1occ s ARG 19 Cb -0.19 0.30 0.87 0.00 -0.57 0.00 0.00 34.95 35.35 1occ s ARG 19 CO 0.12 -0.20 1.17 0.54 -1.08 0.00 0.00 175.30 175.85 1occ n ARG 20 N 4.88 -0.05 -0.21 3.89 1.74 -1.26 0.52 116.66 126.17 1occ n ARG 20 Ca -0.16 1.05 0.04 0.00 -0.77 0.00 0.00 57.85 58.02 1occ n ARG 20 Cb 0.53 -1.82 0.15 0.00 -1.02 0.00 0.00 32.46 30.30 1occ n ARG 20 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1occ n ASP 21 N -4.78 2.01 -3.00 0.55 5.75 -1.26 -3.90 116.55 111.91 1occ n ASP 21 Ca 0.25 -2.10 -0.15 0.00 -0.01 0.00 0.00 54.79 52.78 1occ n ASP 21 Cb 0.84 -0.30 0.01 0.00 -1.03 0.00 0.00 41.12 40.63 1occ n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1occ n TYR 22 N 0.38 -1.25 -0.30 2.11 9.36 0.19 -5.01 117.16 122.64 1occ n TYR 22 Ca 0.11 -3.02 0.14 0.00 3.32 0.00 0.00 57.90 58.45 1occ n TYR 22 Cb 0.36 0.44 0.39 0.00 -0.63 0.00 0.00 39.34 39.90 1occ n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1occ h PRO 23 N 3.30 0.64 -3.80 2.98 0.13 -1.67 -3.34 132.00 130.24 1occ h PRO 23 Ca 0.01 -0.04 -0.70 0.00 -0.87 0.00 0.00 66.00 64.40 1occ h PRO 23 Cb 1.00 -0.14 -0.35 0.00 0.13 0.00 0.00 31.00 31.63 1occ h PRO 23 CO 0.36 0.42 -0.41 -0.51 -0.23 0.00 0.00 178.00 177.64 1occ s LEU 24 N -9.88 5.24 0.78 1.56 1.43 -1.26 -4.95 118.68 111.59 1occ s LEU 24 Ca -0.10 -2.66 -0.14 0.00 -1.03 0.00 0.00 54.13 50.19 1occ s LEU 24 Cb 0.23 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.65 1occ s LEU 24 CO 0.79 -0.41 1.04 -0.81 0.23 0.00 0.00 176.35 177.19 1occ n PRO 25 N 3.74 0.31 0.00 1.29 -0.04 -1.25 -4.89 135.00 134.15 1occ n PRO 25 Ca 0.05 0.17 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 1occ n PRO 25 Cb 0.39 -2.30 0.31 0.00 -0.04 0.00 0.00 33.50 31.85 1occ n PRO 25 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1occ n ASP 26 N -2.40 0.00 -3.86 3.54 8.00 -1.26 -4.76 116.55 115.82 1occ n ASP 26 Ca 0.13 0.16 -0.11 0.00 0.71 0.00 0.00 54.79 55.67 1occ n ASP 26 Cb 0.50 -0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 41.19 1occ n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1occ s VAL 27 N -2.63 0.09 0.29 2.53 1.01 -1.26 -4.86 120.40 115.58 1occ s VAL 27 Ca 0.11 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.10 1occ s VAL 27 Cb 0.08 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.84 1occ s VAL 27 CO 0.19 -0.39 1.02 0.00 0.00 0.00 0.00 175.10 175.93 1occ s ALA 28 N -1.55 3.31 0.22 5.51 0.00 -1.26 -4.70 121.76 123.29 1occ s ALA 28 Ca -0.13 0.74 -0.07 0.00 0.00 0.00 0.00 51.96 52.49 1occ s ALA 28 Cb -0.06 -3.27 0.32 0.00 0.00 0.00 0.00 23.12 20.11 1occ s ALA 28 CO 0.01 -0.02 1.78 1.25 0.00 0.00 0.00 175.76 178.79 1occ h HIS 29 N 3.63 0.64 -3.30 0.00 2.76 -0.51 -3.39 115.15 114.96 1occ h HIS 29 Ca -0.46 0.03 -0.66 0.00 -2.20 0.00 0.00 60.37 57.07 1occ h HIS 29 Cb 1.21 -0.18 -0.29 0.00 1.55 0.00 0.00 27.41 29.70 1occ h HIS 29 CO 0.60 0.24 -0.77 0.08 -1.30 0.00 0.00 177.93 176.78 1occ s VAL 30 N -6.07 2.97 -0.19 5.26 1.01 -0.40 -3.40 120.40 119.60 1occ s VAL 30 Ca -0.13 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1occ s VAL 30 Cb 0.18 -2.29 -0.22 0.00 0.00 0.00 0.00 36.38 34.05 1occ s VAL 30 CO 0.76 0.49 0.09 0.29 0.00 0.00 0.00 175.10 176.72 1occ n LYS 31 N 4.25 0.70 -3.23 2.72 4.01 -1.26 -4.89 118.16 120.46 1occ n LYS 31 Ca -0.19 0.23 -0.40 0.00 -0.51 0.00 0.00 58.31 57.44 1occ n LYS 31 Cb 0.51 -1.62 -0.08 0.00 -0.51 0.00 0.00 35.03 33.33 1occ n LYS 31 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1occ s ASN 32 N -6.83 6.39 -0.03 4.39 0.02 -1.26 -5.06 114.94 112.56 1occ s ASN 32 Ca -0.28 0.32 -0.01 0.00 -1.02 0.00 0.00 52.86 51.87 1occ s ASN 32 Cb 0.08 -2.28 -0.04 0.00 0.02 0.00 0.00 41.25 39.03 1occ s ASN 32 CO 0.68 -0.37 0.05 -0.76 0.02 0.00 0.00 177.10 176.73 1occ s LEU 33 N 2.37 3.79 0.00 0.60 1.43 -1.26 -5.03 118.68 120.58 1occ s LEU 33 Ca 0.21 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.37 1occ s LEU 33 Cb -0.15 -2.09 0.18 0.00 0.03 0.00 0.00 46.19 44.15 1occ s LEU 33 CO 0.11 0.31 1.15 -1.54 0.23 0.00 0.00 176.35 176.61 1occ n SER 34 N 1.53 0.75 0.04 2.29 3.41 -1.26 -4.73 113.62 115.65 1occ n SER 34 Ca -0.15 -1.82 -0.13 0.00 -0.26 0.00 0.00 58.87 56.50 1occ n SER 34 Cb 0.53 -0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 63.59 1occ n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1occ h ALA 35 N -1.18 -0.69 0.00 7.33 0.00 -1.99 0.14 119.26 122.87 1occ h ALA 35 Ca -0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1occ h ALA 35 Cb 1.20 0.80 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 1occ h ALA 35 CO 0.33 -0.97 -0.10 0.66 0.00 0.00 0.00 179.25 179.16 1occ h SER 36 N -0.56 0.00 0.05 0.00 4.64 -1.98 -0.92 113.55 114.78 1occ h SER 36 Ca 0.05 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.22 1occ h SER 36 Cb 0.66 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1occ h SER 36 CO -0.36 0.10 -0.62 1.56 -0.87 0.00 0.00 176.83 176.65 1occ h GLN 37 N 0.00 0.34 -1.00 4.77 4.20 -1.67 -0.22 115.11 121.52 1occ h GLN 37 Ca -0.00 -0.42 0.10 0.00 0.06 0.00 0.00 58.65 58.38 1occ h GLN 37 Cb 0.21 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.05 1occ h GLN 37 CO 0.01 1.13 0.64 0.87 -0.67 0.00 0.00 178.83 180.81 1occ h LYS 38 N -0.26 1.04 -0.60 1.46 1.57 -0.42 0.24 116.57 119.60 1occ h LYS 38 Ca -0.09 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 1occ h LYS 38 Cb 1.38 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1occ h LYS 38 CO 0.12 0.69 0.02 0.00 -0.57 0.00 0.00 179.45 179.71 1occ h ALA 39 N 1.50 0.81 -0.42 3.86 0.00 -1.11 -2.73 119.26 121.18 1occ h ALA 39 Ca 0.47 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1occ h ALA 39 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1occ h ALA 39 CO -0.22 0.63 0.13 1.25 0.00 0.00 0.00 179.25 181.03 1occ h LEU 40 N 0.95 0.61 -2.76 0.00 6.46 0.11 -1.88 115.31 118.80 1occ h LEU 40 Ca 0.17 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1occ h LEU 40 Cb 0.53 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1occ h LEU 40 CO 0.03 0.66 0.03 0.11 -0.62 0.00 0.00 178.44 178.65 1occ h LYS 41 N 0.53 0.00 0.08 1.25 1.79 -0.47 -0.21 116.57 119.55 1occ h LYS 41 Ca 0.13 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.40 1occ h LYS 41 Cb 0.27 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1occ h LYS 41 CO -0.00 0.00 -0.86 0.93 -1.08 0.00 0.00 179.45 178.43 1occ h GLU 42 N 0.00 0.44 -0.11 3.15 4.39 -1.05 -3.19 114.58 118.20 1occ h GLU 42 Ca 0.00 -0.58 -0.02 0.00 0.34 0.00 0.00 59.36 59.10 1occ h GLU 42 Cb 0.07 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1occ h GLU 42 CO -0.00 1.23 -0.04 0.87 -1.16 0.00 0.00 179.01 179.91 1occ h LYS 43 N -0.09 0.16 -0.06 2.33 1.57 -0.72 -2.18 116.57 117.58 1occ h LYS 43 Ca -0.13 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1occ h LYS 43 Cb 1.60 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.88 1occ h LYS 43 CO 0.17 0.22 0.03 1.49 -0.57 0.00 0.00 179.45 180.78 1occ h GLU 44 N 0.16 0.08 0.00 3.15 4.81 -1.26 -0.17 114.58 121.35 1occ h GLU 44 Ca 0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1occ h GLU 44 Cb 0.18 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1occ h GLU 44 CO 0.01 0.06 0.00 0.87 -0.73 0.00 0.00 179.01 179.22 1occ h LYS 45 N 0.08 0.00 0.00 1.92 1.57 -1.44 -3.44 116.57 115.26 1occ h LYS 45 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1occ h LYS 45 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1occ h LYS 45 CO -0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1occ n ALA 46 N -2.04 0.00 -2.69 3.86 0.00 -0.08 -5.00 120.51 114.57 1occ n ALA 46 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 1occ n ALA 46 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.72 1occ n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1occ s SER 47 N -1.00 7.08 0.40 0.00 0.15 -1.26 -4.92 113.70 114.15 1occ s SER 47 Ca 0.00 1.32 0.28 0.00 0.70 0.00 0.00 55.95 58.25 1occ s SER 47 Cb 0.00 -2.48 1.42 0.00 -1.71 0.00 0.00 66.02 63.25 1occ s SER 47 CO 0.00 -0.31 1.85 -0.50 1.20 0.00 0.00 173.24 175.47 1occ h TRP 48 N 7.06 0.00 -0.20 3.44 6.55 -1.86 -2.05 115.95 128.90 1occ h TRP 48 Ca -0.34 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.48 1occ h TRP 48 Cb 1.17 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.45 1occ h TRP 48 CO 0.69 0.00 0.05 0.77 -1.05 0.00 0.00 178.44 178.90 1occ h SER 49 N 0.00 0.24 0.21 -3.49 0.02 -1.98 -1.15 113.55 107.40 1occ h SER 49 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1occ h SER 49 Cb 0.10 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1occ h SER 49 CO 0.00 0.26 -0.05 -1.54 -1.14 0.00 0.00 176.83 174.35 1occ n SER 50 N -4.42 0.50 -4.75 3.07 3.41 -0.77 -4.84 113.62 105.82 1occ n SER 50 Ca -0.00 -0.83 -0.40 0.00 -0.26 0.00 0.00 58.87 57.37 1occ n SER 50 Cb 0.14 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1occ n SER 50 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1occ s LEU 51 N -2.26 4.52 0.66 1.04 1.43 -0.44 -5.06 118.68 118.57 1occ s LEU 51 Ca 0.36 1.64 -0.10 0.00 -1.03 0.00 0.00 54.13 54.99 1occ s LEU 51 Cb 0.21 -3.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 1occ s LEU 51 CO 0.42 0.06 1.04 -0.94 0.23 0.00 0.00 176.35 177.16 1occ s SER 52 N -0.43 5.68 0.25 2.29 1.04 -1.26 -4.86 113.70 116.41 1occ s SER 52 Ca 0.40 1.13 -0.04 0.00 0.48 0.00 0.00 55.95 57.93 1occ s SER 52 Cb -0.22 -2.03 0.41 0.00 0.10 0.00 0.00 66.02 64.27 1occ s SER 52 CO 0.26 -1.16 1.82 0.40 0.98 0.00 0.00 173.24 175.54 1occ h ILE 53 N -0.48 0.92 -0.15 -1.02 2.04 -1.98 -0.49 117.51 116.36 1occ h ILE 53 Ca -0.45 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 1occ h ILE 53 Cb 1.24 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1occ h ILE 53 CO 0.63 0.15 -0.15 0.44 0.00 0.00 0.00 178.15 179.22 1occ h ASP 54 N 0.83 0.24 0.08 1.72 3.32 -1.99 -0.85 116.42 119.77 1occ h ASP 54 Ca 0.41 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 57.24 1occ h ASP 54 Cb 0.36 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1occ h ASP 54 CO -0.24 0.41 -0.62 -0.33 -1.72 0.00 0.00 179.24 176.74 1occ h GLU 55 N 0.24 0.52 -0.34 3.56 5.08 -1.51 -1.59 114.58 120.54 1occ h GLU 55 Ca 0.05 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1occ h GLU 55 Cb 0.41 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1occ h GLU 55 CO 0.02 0.98 -0.04 0.87 -1.00 0.00 0.00 179.01 179.85 1occ h LYS 56 N 0.39 0.63 0.35 2.33 1.57 -0.48 -1.06 116.57 120.29 1occ h LYS 56 Ca -0.01 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1occ h LYS 56 Cb 1.17 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1occ h LYS 56 CO 0.11 0.77 -0.17 0.28 -0.57 0.00 0.00 179.45 179.88 1occ h VAL 57 N 0.43 0.67 -1.00 0.50 2.07 -1.12 -0.04 116.25 117.75 1occ h VAL 57 Ca 0.09 -0.05 0.18 0.00 0.82 0.00 0.00 66.70 67.75 1occ h VAL 57 Cb 0.51 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 30.87 1occ h VAL 57 CO 0.02 0.01 0.62 -0.08 0.02 0.00 0.00 177.57 178.16 1occ h GLU 58 N -0.49 0.77 -0.08 1.57 4.81 -1.21 0.41 114.58 120.36 1occ h GLU 58 Ca -0.05 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1occ h GLU 58 Cb 0.37 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1occ h GLU 58 CO 0.08 0.51 0.03 -0.07 -0.73 0.00 0.00 179.01 178.83 1occ h LEU 59 N 0.79 0.11 -0.15 1.64 4.07 -0.85 -1.63 115.31 119.30 1occ h LEU 59 Ca 0.57 -0.15 0.02 0.00 0.08 0.00 0.00 57.88 58.40 1occ h LEU 59 Cb 0.85 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 1occ h LEU 59 CO -0.36 0.22 0.04 0.22 -1.08 0.00 0.00 178.44 177.48 1occ h TYR 60 N -0.01 0.07 0.00 1.13 5.03 0.14 -1.58 116.97 121.75 1occ h TYR 60 Ca 0.03 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1occ h TYR 60 Cb 0.15 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.42 1occ h TYR 60 CO -0.02 0.03 0.00 0.54 -1.32 0.00 0.00 178.16 177.39 1occ n ARG 61 N -5.07 0.04 0.12 1.82 5.12 0.11 -1.64 116.66 117.16 1occ n ARG 61 Ca -0.04 0.35 -0.19 0.00 -1.93 0.00 0.00 57.85 56.04 1occ n ARG 61 Cb 0.06 -1.58 -0.14 0.00 -1.16 0.00 0.00 32.46 29.64 1occ n ARG 61 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1occ h LEU 62 N 0.00 0.60 0.09 0.55 5.85 -0.28 -3.39 115.31 118.73 1occ h LEU 62 Ca 0.00 -0.63 -0.29 0.00 0.84 0.00 0.00 57.88 57.80 1occ h LEU 62 Cb 0.19 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1occ h LEU 62 CO 0.00 1.49 -1.52 0.50 -0.34 0.00 0.00 178.44 178.57 1occ h LYS 63 N 0.11 0.19 -6.60 1.25 3.64 -1.21 -1.05 116.57 112.90 1occ h LYS 63 Ca -0.18 -0.33 -0.67 0.00 -1.27 0.00 0.00 60.65 58.21 1occ h LYS 63 Cb 2.03 0.12 -0.16 0.00 -0.41 0.00 0.00 32.23 33.81 1occ h LYS 63 CO 0.23 1.16 -0.76 -0.06 -2.27 0.00 0.00 179.45 177.75 1occ s PHE 64 N -2.47 2.68 -0.11 1.91 0.08 -0.65 -0.05 117.98 119.37 1occ s PHE 64 Ca -0.23 -0.19 -0.13 0.00 0.12 0.00 0.00 56.93 56.51 1occ s PHE 64 Cb 0.05 -1.40 -0.11 0.00 -0.57 0.00 0.00 43.02 40.98 1occ s PHE 64 CO 0.73 0.42 0.39 -0.22 -0.10 0.00 0.00 175.22 176.43 1occ h LYS 65 N 3.63 -0.04 -4.65 0.44 3.64 -1.87 -3.39 116.57 114.34 1occ h LYS 65 Ca -0.49 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.57 1occ h LYS 65 Cb 1.17 0.01 -0.24 0.00 -0.41 0.00 0.00 32.23 32.76 1occ h LYS 65 CO 0.50 0.38 -0.75 -1.83 -2.27 0.00 0.00 179.45 175.48 1occ s GLU 66 N -2.04 0.57 0.87 1.90 -1.05 -1.26 -5.00 118.70 112.69 1occ s GLU 66 Ca -0.08 -0.61 -0.12 0.00 -0.15 0.00 0.00 54.97 54.00 1occ s GLU 66 Cb -0.01 -0.45 0.11 0.00 -0.44 0.00 0.00 34.13 33.35 1occ s GLU 66 CO 0.31 0.10 1.11 -1.54 0.95 0.00 0.00 175.26 176.19 1occ s SER 67 N -1.13 3.85 0.27 0.83 1.04 -1.26 -4.76 113.70 112.53 1occ s SER 67 Ca -0.05 1.19 -0.02 0.00 0.48 0.00 0.00 55.95 57.56 1occ s SER 67 Cb -0.08 -1.85 0.45 0.00 0.10 0.00 0.00 66.02 64.64 1occ s SER 67 CO 0.00 -2.36 1.86 -0.26 0.98 0.00 0.00 173.24 173.46 1occ h PHE 68 N -1.36 1.13 -0.71 5.02 -1.00 -2.01 0.34 116.94 118.35 1occ h PHE 68 Ca -0.49 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.33 1occ h PHE 68 Cb 1.30 -0.37 -0.04 0.00 3.61 0.00 0.00 35.95 40.46 1occ h PHE 68 CO 0.38 0.53 0.47 0.00 -1.61 0.00 0.00 178.31 178.08 1occ h ALA 69 N 1.48 0.91 -0.30 2.45 0.00 -1.95 0.85 119.26 122.70 1occ h ALA 69 Ca 0.45 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 1occ h ALA 69 Cb 0.29 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1occ h ALA 69 CO -0.21 0.30 -0.33 0.93 0.00 0.00 0.00 179.25 179.94 1occ h GLU 70 N 0.95 0.76 -0.04 0.00 5.08 -1.64 -2.60 114.58 117.09 1occ h GLU 70 Ca 0.27 -0.41 -0.13 0.00 -1.00 0.00 0.00 59.36 58.09 1occ h GLU 70 Cb -0.08 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1occ h GLU 70 CO -0.07 1.04 -0.55 0.00 -1.00 0.00 0.00 179.01 178.43 1occ h MET 71 N 0.52 0.11 -0.55 2.33 -0.00 -0.44 -2.76 114.93 114.14 1occ h MET 71 Ca 0.04 -0.07 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1occ h MET 71 Cb 0.91 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.52 1occ h MET 71 CO 0.08 0.64 0.00 0.09 -0.00 0.00 0.00 176.91 177.72 1occ n ASN 72 N -3.89 2.75 -4.75 -0.10 3.02 0.25 -4.93 115.26 107.61 1occ n ASN 72 Ca -0.02 -2.20 -0.37 0.00 -0.03 0.00 0.00 54.58 51.96 1occ n ASN 72 Cb 0.57 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 39.38 1occ n ASN 72 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1occ s ARG 73 N -1.65 3.08 0.14 3.52 3.52 -0.98 -5.02 118.95 121.55 1occ s ARG 73 Ca 0.29 2.05 0.03 0.00 -0.13 0.00 0.00 55.73 57.97 1occ s ARG 73 Cb 0.18 -2.13 -0.04 0.00 -1.56 0.00 0.00 34.95 31.40 1occ s ARG 73 CO 0.15 -1.18 0.20 -1.54 -0.81 0.00 0.00 175.30 172.12 1occ s SER 74 N -1.23 5.98 0.42 -2.12 1.04 -1.26 -5.09 113.70 111.44 1occ s SER 74 Ca 0.74 0.06 0.03 0.00 0.48 0.00 0.00 55.95 57.26 1occ s SER 74 Cb -0.36 -1.71 -0.03 0.00 0.10 0.00 0.00 66.02 64.01 1occ s SER 74 CO 0.41 0.08 0.07 0.42 0.98 0.00 0.00 173.24 175.21 1occ s THR 75 N -1.69 0.97 -0.30 2.02 -4.23 -1.26 -5.04 115.64 106.12 1occ s THR 75 Ca 0.33 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.96 1occ s THR 75 Cb -0.11 -2.45 0.77 0.00 1.34 0.00 0.00 72.50 72.05 1occ s THR 75 CO 0.26 0.00 1.71 0.59 -0.54 0.00 0.00 174.62 176.64 1occ n ASN 76 N -1.14 5.32 -0.25 3.99 3.02 -1.26 -4.59 115.26 120.35 1occ n ASN 76 Ca -0.08 -2.95 0.02 0.00 -0.03 0.00 0.00 54.58 51.54 1occ n ASN 76 Cb 0.66 -0.69 0.15 0.00 -0.61 0.00 0.00 39.78 39.29 1occ n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1occ h GLU 77 N 3.49 0.55 -0.99 3.52 4.81 -2.01 -1.72 114.58 122.24 1occ h GLU 77 Ca 0.06 -0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.48 1occ h GLU 77 Cb 2.00 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 31.17 1occ h GLU 77 CO 0.53 0.36 0.63 0.11 -0.73 0.00 0.00 179.01 179.91 1occ h TRP 78 N 0.56 0.75 0.07 0.92 5.08 -1.99 0.15 115.95 121.50 1occ h TRP 78 Ca 0.37 0.02 0.01 0.00 1.08 0.00 0.00 58.89 60.37 1occ h TRP 78 Cb 0.43 -0.22 -0.02 0.00 -3.00 0.00 0.00 29.16 26.35 1occ h TRP 78 CO -0.12 0.14 -0.12 0.87 -1.28 0.00 0.00 178.44 177.93 1occ h LYS 79 N 0.51 -0.23 -0.42 0.12 1.57 -1.68 0.29 116.57 116.73 1occ h LYS 79 Ca 0.55 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.37 1occ h LYS 79 Cb 1.21 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1occ h LYS 79 CO -0.29 -0.16 0.24 1.15 -0.57 0.00 0.00 179.45 179.83 1occ h THR 80 N -0.24 1.03 0.52 -0.16 2.02 -0.83 0.64 112.91 115.88 1occ h THR 80 Ca 0.02 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1occ h THR 80 Cb 0.26 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1occ h THR 80 CO -0.07 0.09 -0.25 0.58 0.37 0.00 0.00 175.52 176.24 1occ h VAL 81 N 0.48 0.49 -0.50 3.16 2.07 -0.65 -0.18 116.25 121.13 1occ h VAL 81 Ca 0.17 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1occ h VAL 81 Cb 0.03 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1occ h VAL 81 CO -0.09 0.00 0.31 0.58 0.02 0.00 0.00 177.57 178.39 1occ h VAL 82 N -0.69 1.15 -0.25 2.57 2.07 -0.32 -1.12 116.25 119.65 1occ h VAL 82 Ca -0.07 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1occ h VAL 82 Cb 0.53 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1occ h VAL 82 CO 0.12 0.15 0.07 1.23 0.02 0.00 0.00 177.57 179.16 1occ h GLY 83 N 0.67 0.43 1.78 2.17 0.00 -0.81 -1.95 103.07 105.36 1occ h GLY 83 Ca 0.18 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1occ h GLY 83 CO -0.03 0.24 -0.26 0.00 0.00 0.00 0.00 176.54 176.49 1occ h ALA 84 N 0.90 1.30 -0.40 3.60 0.00 -0.95 -0.43 119.26 123.28 1occ h ALA 84 Ca 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1occ h ALA 84 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1occ h ALA 84 CO -0.00 0.48 0.19 0.00 0.00 0.00 0.00 179.25 179.92 1occ h ALA 85 N 1.50 0.51 -0.10 0.00 0.00 -1.06 -1.18 119.26 118.93 1occ h ALA 85 Ca 0.04 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1occ h ALA 85 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1occ h ALA 85 CO 0.04 0.07 -0.42 0.52 0.00 0.00 0.00 179.25 179.46 1occ h MET 86 N 0.50 0.22 -0.16 0.00 2.07 -0.87 -0.18 114.93 116.51 1occ h MET 86 Ca 0.14 -0.11 -0.02 0.00 -2.07 0.00 0.00 59.70 57.63 1occ h MET 86 Cb 0.12 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.84 1occ h MET 86 CO -0.02 0.61 0.01 0.35 1.07 0.00 0.00 176.91 178.93 1occ h PHE 87 N 0.19 0.30 -0.11 -0.22 3.57 -0.78 -0.52 116.94 119.38 1occ h PHE 87 Ca 0.02 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 1occ h PHE 87 Cb 0.83 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1occ h PHE 87 CO 0.01 0.48 -0.23 0.74 -2.23 0.00 0.00 178.31 177.08 1occ h PHE 88 N 0.04 0.21 -0.08 0.41 0.04 -0.90 0.50 116.94 117.16 1occ h PHE 88 Ca 0.05 -0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.63 1occ h PHE 88 Cb 0.35 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1occ h PHE 88 CO 0.03 0.42 -0.61 0.82 -0.60 0.00 0.00 178.31 178.37 1occ h ILE 89 N 0.18 1.38 -0.43 -0.55 2.04 -0.90 -2.63 117.51 116.61 1occ h ILE 89 Ca 0.03 -1.98 -0.06 0.00 1.00 0.00 0.00 64.86 63.86 1occ h ILE 89 Cb 0.52 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1occ h ILE 89 CO 0.04 0.59 0.05 1.23 0.00 0.00 0.00 178.15 180.05 1occ h GLY 90 N 1.43 0.78 0.75 5.37 0.00 0.27 -2.30 103.07 109.38 1occ h GLY 90 Ca -0.01 -0.54 0.11 0.00 0.00 0.00 0.00 47.33 46.89 1occ h GLY 90 CO 0.10 0.50 0.53 -2.75 0.00 0.00 0.00 176.54 174.92 1occ h PHE 91 N 0.58 0.77 -0.84 5.60 3.57 -0.77 -0.57 116.94 125.28 1occ h PHE 91 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1occ h PHE 91 Cb 0.42 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1occ h PHE 91 CO 0.03 0.34 0.53 1.15 -2.23 0.00 0.00 178.31 178.12 1occ h THR 92 N 0.69 1.22 -0.03 4.41 2.02 -1.04 0.18 112.91 120.36 1occ h THR 92 Ca 0.39 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1occ h THR 92 Cb 0.54 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1occ h THR 92 CO -0.15 0.23 0.03 0.00 0.37 0.00 0.00 175.52 176.00 1occ h ALA 93 N 1.43 1.53 -0.22 6.16 0.00 -1.00 -0.27 119.26 126.89 1occ h ALA 93 Ca 0.30 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1occ h ALA 93 Cb -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1occ h ALA 93 CO -0.06 -0.05 -0.31 -0.07 0.00 0.00 0.00 179.25 178.76 1occ h LEU 94 N 0.00 0.65 -0.55 0.00 3.38 -0.94 -0.95 115.31 116.90 1occ h LEU 94 Ca 0.01 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.53 1occ h LEU 94 Cb 0.08 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1occ h LEU 94 CO -0.00 1.04 0.26 -0.07 0.09 0.00 0.00 178.44 179.76 1occ h LEU 95 N 0.29 0.35 -0.16 1.67 3.38 -1.00 -1.23 115.31 118.60 1occ h LEU 95 Ca 0.02 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1occ h LEU 95 Cb 0.89 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1occ h LEU 95 CO 0.07 0.23 0.00 -0.07 0.09 0.00 0.00 178.44 178.76 1occ h LEU 96 N 0.49 -0.06 -0.57 1.67 3.38 -1.21 -1.43 115.31 117.59 1occ h LEU 96 Ca 0.25 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.32 1occ h LEU 96 Cb 0.21 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1occ h LEU 96 CO -0.20 -0.01 0.28 0.40 0.09 0.00 0.00 178.44 179.00 1occ h ILE 97 N 0.05 0.92 -0.70 1.22 2.04 -0.62 -2.22 117.51 118.21 1occ h ILE 97 Ca 0.07 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1occ h ILE 97 Cb 0.09 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1occ h ILE 97 CO -0.12 0.10 0.42 -0.25 0.00 0.00 0.00 178.15 178.29 1occ h TRP 98 N 0.53 0.92 -0.24 1.37 7.01 -0.47 -2.18 115.95 122.90 1occ h TRP 98 Ca 0.26 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.17 1occ h TRP 98 Cb 0.19 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 1occ h TRP 98 CO -0.11 0.62 -0.22 1.05 -2.79 0.00 0.00 178.44 176.99 1occ h GLU 99 N 0.95 0.43 -0.21 2.65 4.11 -0.75 0.39 114.58 122.15 1occ h GLU 99 Ca 0.25 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 1occ h GLU 99 Cb -0.03 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1occ h GLU 99 CO -0.05 0.63 0.08 -0.22 0.07 0.00 0.00 179.01 179.52 1occ h LYS 100 N 0.39 0.31 -0.13 1.06 1.63 -1.03 0.40 116.57 119.20 1occ h LYS 100 Ca 0.06 -0.06 -0.19 0.00 -0.85 0.00 0.00 60.65 59.61 1occ h LYS 100 Cb 0.60 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1occ h LYS 100 CO 0.04 0.38 -0.69 1.25 -3.45 0.00 0.00 179.45 176.98 1occ h HIS 101 N 0.18 0.73 0.00 1.91 2.76 -1.22 -3.28 115.15 116.24 1occ h HIS 101 Ca 0.07 -0.31 -0.06 0.00 -2.20 0.00 0.00 60.37 57.87 1occ h HIS 101 Cb 0.19 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1occ h HIS 101 CO -0.01 1.08 -1.65 0.66 -1.30 0.00 0.00 177.93 176.71 1occ n TYR 102 N -3.90 0.00 -0.07 5.26 4.02 0.11 -4.81 117.16 117.78 1occ n TYR 102 Ca -0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.76 1occ n TYR 102 Cb 0.69 -0.37 -0.08 0.00 -0.02 0.00 0.00 39.34 39.56 1occ n TYR 102 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1occ n VAL 103 N -2.08 0.86 -3.00 -0.72 0.31 0.11 -4.99 118.33 108.82 1occ n VAL 103 Ca -0.07 -0.41 -0.41 0.00 -0.01 0.00 0.00 64.34 63.44 1occ n VAL 103 Cb 0.48 -0.88 -0.05 0.00 -0.91 0.00 0.00 33.84 32.48 1occ n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1occ s TYR 104 N -2.30 3.34 0.00 3.52 2.02 0.30 -5.02 117.35 119.21 1occ s TYR 104 Ca -0.14 1.03 0.00 0.00 -0.37 0.00 0.00 57.07 57.59 1occ s TYR 104 Cb 0.05 -2.93 0.00 0.00 -0.40 0.00 0.00 41.96 38.67 1occ s TYR 104 CO 0.42 -0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 1occ n GLY 105 N 3.81 -1.55 3.78 0.71 0.00 -1.26 -4.76 105.19 105.91 1occ n GLY 105 Ca 0.02 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 1occ n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1occ s PRO 106 N -2.38 4.55 0.73 1.61 0.04 -1.26 -5.05 135.00 133.25 1occ s PRO 106 Ca 0.00 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 1occ s PRO 106 Cb 0.00 -2.97 0.04 0.00 0.04 0.00 0.00 34.50 31.61 1occ s PRO 106 CO 0.00 0.39 1.10 0.96 0.04 0.00 0.00 177.00 179.50 1occ s ILE 107 N -1.45 3.22 0.78 0.56 -0.00 -1.26 -4.97 121.20 118.08 1occ s ILE 107 Ca 0.45 0.46 -0.15 0.00 -0.00 0.00 0.00 60.65 61.41 1occ s ILE 107 Cb -0.20 -2.95 0.00 0.00 -0.00 0.00 0.00 42.46 39.31 1occ s ILE 107 CO 0.25 -0.45 0.66 -0.81 -0.00 0.00 0.00 174.94 174.59 1occ n PRO 108 N -3.10 0.19 0.22 0.37 -0.04 -1.26 -4.88 135.00 126.51 1occ n PRO 108 Ca 0.10 0.11 0.15 0.00 -0.04 0.00 0.00 63.50 63.83 1occ n PRO 108 Cb 0.52 -1.98 0.77 0.00 -0.04 0.00 0.00 33.50 32.78 1occ n PRO 108 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1occ h HIS 109 N -0.68 0.00 0.00 0.54 2.07 -2.02 -2.42 115.15 112.64 1occ h HIS 109 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1occ h HIS 109 Cb 1.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.31 1occ h HIS 109 CO 0.38 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.49 1occ n THR 110 N -2.60 0.00 0.84 6.12 -2.24 -1.26 -2.47 114.28 112.67 1occ n THR 110 Ca -0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 1occ n THR 110 Cb 0.11 -0.40 0.04 0.00 -2.10 0.00 0.00 70.33 67.98 1occ n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1occ n PHE 111 N -0.69 0.00 -1.88 4.78 3.72 -0.91 -4.44 117.46 118.04 1occ n PHE 111 Ca 0.05 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.12 1occ n PHE 111 Cb 0.02 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.60 1occ n PHE 111 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1occ s GLU 112 N -1.91 2.94 0.21 -1.08 2.02 -1.03 -4.82 118.70 115.02 1occ s GLU 112 Ca 0.20 1.44 -0.10 0.00 0.02 0.00 0.00 54.97 56.52 1occ s GLU 112 Cb 0.16 -1.96 0.28 0.00 0.10 0.00 0.00 34.13 32.71 1occ s GLU 112 CO 0.36 -1.15 1.70 0.93 0.02 0.00 0.00 175.26 177.13 1occ h GLU 113 N 0.31 0.24 0.48 1.61 5.08 -1.94 -0.46 114.58 119.90 1occ h GLU 113 Ca -0.48 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 1occ h GLU 113 Cb 1.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1occ h GLU 113 CO 0.55 0.16 -0.23 1.49 -1.00 0.00 0.00 179.01 179.98 1occ h GLU 114 N 0.25 -0.62 -0.55 2.33 4.81 -1.97 -1.82 114.58 117.02 1occ h GLU 114 Ca 0.31 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.65 1occ h GLU 114 Cb 0.45 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 1occ h GLU 114 CO -0.40 -0.41 0.23 2.35 -0.73 0.00 0.00 179.01 180.05 1occ h TRP 115 N -0.66 0.41 0.00 0.92 2.91 -1.75 -0.59 115.95 117.20 1occ h TRP 115 Ca -0.07 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 59.92 1occ h TRP 115 Cb 0.50 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.04 1occ h TRP 115 CO -0.04 0.15 -0.30 -0.39 -1.03 0.00 0.00 178.44 176.83 1occ h VAL 116 N 0.43 1.16 -0.30 2.65 -1.51 -1.00 0.27 116.25 117.95 1occ h VAL 116 Ca 0.26 -1.05 -0.16 0.00 -1.23 0.00 0.00 66.70 64.52 1occ h VAL 116 Cb 0.25 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1occ h VAL 116 CO -0.23 0.30 -0.44 0.00 -1.23 0.00 0.00 177.57 175.97 1occ h ALA 117 N 1.70 0.46 -0.35 5.19 0.00 -0.33 0.46 119.26 126.39 1occ h ALA 117 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1occ h ALA 117 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1occ h ALA 117 CO 0.04 0.59 0.06 0.87 0.00 0.00 0.00 179.25 180.82 1occ h LYS 118 N 0.60 0.58 -0.49 0.00 1.79 -0.61 -1.81 116.57 116.63 1occ h LYS 118 Ca 0.03 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 58.30 1occ h LYS 118 Cb 1.04 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.59 1occ h LYS 118 CO 0.10 0.65 0.09 0.37 -1.08 0.00 0.00 179.45 179.58 1occ h GLN 119 N 0.42 0.76 -0.48 3.15 4.15 -0.41 0.42 115.11 123.12 1occ h GLN 119 Ca 0.11 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 59.23 1occ h GLN 119 Cb 0.34 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1occ h GLN 119 CO 0.01 0.71 -0.23 1.15 -1.93 0.00 0.00 178.83 178.54 1occ h THR 120 N 0.73 1.27 0.08 2.39 2.02 -0.59 0.70 112.91 119.50 1occ h THR 120 Ca 0.16 -1.39 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 1occ h THR 120 Cb 0.32 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1occ h THR 120 CO 0.00 0.48 -0.04 0.50 0.37 0.00 0.00 175.52 176.83 1occ h LYS 121 N 0.85 -0.11 -0.54 6.66 1.63 -0.87 0.22 116.57 124.42 1occ h LYS 121 Ca 0.11 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.00 1occ h LYS 121 Cb 0.81 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.39 1occ h LYS 121 CO 0.07 0.09 0.17 -0.09 -3.45 0.00 0.00 179.45 176.24 1occ h ARG 122 N -0.29 0.32 -0.56 1.90 2.43 -0.70 0.62 114.38 118.11 1occ h ARG 122 Ca -0.01 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1occ h ARG 122 Cb 0.24 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1occ h ARG 122 CO 0.02 0.21 0.34 0.52 -1.51 0.00 0.00 179.97 179.55 1occ h MET 123 N 0.33 0.65 -0.01 0.20 2.86 -0.63 0.17 114.93 118.50 1occ h MET 123 Ca 0.27 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 1occ h MET 123 Cb 0.33 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1occ h MET 123 CO -0.30 0.43 -0.27 -0.07 1.06 0.00 0.00 176.91 177.76 1occ h LEU 124 N 0.67 0.02 -0.27 1.22 3.38 0.15 -1.87 115.31 118.60 1occ h LEU 124 Ca 0.23 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1occ h LEU 124 Cb 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1occ h LEU 124 CO -0.10 0.29 -0.04 0.44 0.09 0.00 0.00 178.44 179.12 1occ h ASP 125 N 0.02 0.51 -0.05 -0.43 3.32 0.29 -2.49 116.42 117.58 1occ h ASP 125 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1occ h ASP 125 Cb 0.49 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1occ h ASP 125 CO 0.04 0.73 0.00 1.15 -1.72 0.00 0.00 179.24 179.43 1occ n MET 126 N -4.55 1.16 -3.59 3.56 0.00 -0.13 -4.92 117.12 108.64 1occ n MET 126 Ca -0.03 -0.24 -0.25 0.00 0.00 0.00 0.00 57.70 57.18 1occ n MET 126 Cb 0.28 -1.17 0.04 0.00 0.00 0.00 0.00 33.22 32.38 1occ n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1occ n LYS 127 N -0.41 -2.60 -1.95 3.17 4.01 -0.92 -4.90 118.16 114.56 1occ n LYS 127 Ca 0.08 0.60 -0.42 0.00 -0.51 0.00 0.00 58.31 58.05 1occ n LYS 127 Cb 0.09 -4.84 -0.03 0.00 -0.51 0.00 0.00 35.03 29.74 1occ n LYS 127 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1occ s VAL 128 N -3.52 3.48 -0.81 -0.18 1.01 -0.75 -3.41 120.40 116.22 1occ s VAL 128 Ca 0.32 0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.85 1occ s VAL 128 Cb -0.09 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1occ s VAL 128 CO 0.82 -0.09 0.68 0.00 0.00 0.00 0.00 175.10 176.52 1occ n ALA 129 N 7.64 -2.60 0.15 5.51 0.00 -1.26 -0.44 120.51 129.52 1occ n ALA 129 Ca 0.19 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.56 1occ n ALA 129 Cb 0.43 -1.58 0.12 0.00 0.00 0.00 0.00 19.45 18.42 1occ n ALA 129 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1occ h PRO 130 N 0.01 0.00 0.00 0.00 0.13 -1.90 0.25 132.00 130.48 1occ h PRO 130 Ca -0.27 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.68 1occ h PRO 130 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1occ h PRO 130 CO 0.34 0.46 -1.12 0.82 -0.23 0.00 0.00 178.00 178.27 1occ h ILE 131 N 0.00 0.98 0.00 -3.56 2.04 -1.91 -3.30 117.51 111.75 1occ h ILE 131 Ca -0.00 -2.56 0.00 0.00 1.00 0.00 0.00 64.86 63.29 1occ h ILE 131 Cb 1.24 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 39.75 1occ h ILE 131 CO 0.06 0.56 0.00 0.00 0.00 0.00 0.00 178.15 178.77 1occ n GLN 132 N -3.13 0.00 0.02 2.37 6.02 -1.26 -4.92 117.38 116.49 1occ n GLN 132 Ca -0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.84 1occ n GLN 132 Cb 0.88 -0.12 -0.07 0.00 1.02 0.00 0.00 30.24 31.95 1occ n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1occ h GLY 133 N 0.00 -0.17 0.00 1.08 0.00 -1.89 -3.43 103.07 98.66 1occ h GLY 133 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1occ h GLY 133 CO 0.00 -0.06 0.00 0.33 0.00 0.00 0.00 176.54 176.81 1occ n PHE 134 N -4.86 0.00 0.28 5.60 7.35 -0.03 -4.80 117.46 121.00 1occ n PHE 134 Ca -0.07 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.79 1occ n PHE 134 Cb 0.25 0.03 0.93 0.00 0.35 0.00 0.00 39.48 41.04 1occ n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1occ h SER 135 N 0.00 0.00 0.39 -2.13 0.02 0.30 0.96 113.55 113.09 1occ h SER 135 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1occ h SER 135 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1occ h SER 135 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1occ n ALA 136 N -2.29 1.77 -1.36 3.77 0.00 -1.05 -1.86 120.51 119.49 1occ n ALA 136 Ca -0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1occ n ALA 136 Cb 0.14 -1.24 0.20 0.00 0.00 0.00 0.00 19.45 18.55 1occ n ALA 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1occ n LYS 137 N -1.39 2.08 -4.26 0.00 5.02 0.33 -4.94 118.16 115.00 1occ n LYS 137 Ca 0.05 -3.12 -0.17 0.00 -2.02 0.00 0.00 58.31 53.05 1occ n LYS 137 Cb 0.15 -1.93 -0.14 0.00 -0.02 0.00 0.00 35.03 33.08 1occ n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1occ s TRP 138 N -3.23 0.67 -0.63 2.13 -0.11 -0.78 -1.48 118.94 115.52 1occ s TRP 138 Ca 0.48 -0.16 -0.16 0.00 1.22 0.00 0.00 56.10 57.49 1occ s TRP 138 Cb 0.42 -0.43 0.16 0.00 -1.50 0.00 0.00 33.47 32.12 1occ s TRP 138 CO 0.04 -0.01 0.59 0.34 -4.62 0.00 0.00 176.95 173.29 1occ s ASP 139 N -0.31 6.37 0.40 5.86 -1.08 0.10 -4.56 116.67 123.45 1occ s ASP 139 Ca 0.02 -2.05 0.07 0.00 -0.52 0.00 0.00 52.55 50.07 1occ s ASP 139 Cb -0.03 -2.22 0.82 0.00 -1.46 0.00 0.00 42.92 40.03 1occ s ASP 139 CO -0.00 -0.79 2.02 1.88 0.52 0.00 0.00 175.17 178.80 1occ h TYR 140 N 8.57 0.50 -0.28 -5.34 0.05 -1.92 0.44 116.97 118.98 1occ h TYR 140 Ca -0.17 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.58 1occ h TYR 140 Cb 1.08 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.65 1occ h TYR 140 CO 0.83 0.36 0.07 -0.44 -1.05 0.00 0.00 178.16 177.93 1occ h ASP 141 N 0.52 0.42 -0.62 3.88 3.32 -1.95 -3.13 116.42 118.86 1occ h ASP 141 Ca 0.13 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1occ h ASP 141 Cb 0.03 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1occ h ASP 141 CO -0.02 0.53 0.00 0.29 -1.72 0.00 0.00 179.24 178.32 1occ n LYS 142 N -4.70 2.78 -4.09 3.56 5.02 -1.10 -4.99 118.16 114.66 1occ n LYS 142 Ca -0.03 -2.50 -0.44 0.00 -2.02 0.00 0.00 58.31 53.33 1occ n LYS 142 Cb 0.18 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 1occ n LYS 142 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1occ n ASN 143 N 1.32 -3.52 -3.61 4.39 3.02 0.15 -4.97 115.26 112.04 1occ n ASN 143 Ca 0.21 -1.23 -0.15 0.00 -0.03 0.00 0.00 54.58 53.38 1occ n ASN 143 Cb 0.57 -1.48 -0.06 0.00 -0.61 0.00 0.00 39.78 38.20 1occ n ASN 143 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1occ s GLU 144 N -7.35 0.95 -0.01 3.52 -1.05 -1.02 -5.00 118.70 108.73 1occ s GLU 144 Ca 0.44 -0.11 -0.32 0.00 -0.15 0.00 0.00 54.97 54.83 1occ s GLU 144 Cb -0.25 0.44 -0.10 0.00 -0.44 0.00 0.00 34.13 33.78 1occ s GLU 144 CO 0.92 -0.32 1.94 0.91 0.95 0.00 0.00 175.26 179.67 1occ n TRP 145 N 0.73 2.44 -1.72 4.83 7.02 -1.26 0.03 117.44 129.51 1occ n TRP 145 Ca -0.19 -0.24 -0.40 0.00 -1.02 0.00 0.00 57.50 55.65 1occ n TRP 145 Cb 0.58 -2.75 0.02 0.00 -2.42 0.00 0.00 31.31 26.75 1occ n TRP 145 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1occ n LYS 146 N 7.22 1.89 0.00 -0.99 4.81 -0.55 -4.70 118.16 125.85 1occ n LYS 146 Ca 0.21 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1occ n LYS 146 Cb 0.36 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 32.93 1occ n LYS 146 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74