#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edt h SER 2 N 0.00 0.37 0.12 1.61 4.64 -2.09 -3.38 113.55 114.82 2edt h SER 2 Ca 0.00 -0.76 -0.01 0.00 -0.47 0.00 0.00 61.79 60.56 2edt h SER 2 Cb 0.00 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2edt h SER 2 CO 0.00 1.08 -0.06 0.28 -0.87 0.00 0.00 176.83 177.26 2edt h SER 3 N -0.30 -0.14 0.00 4.97 0.02 -2.10 -3.48 113.55 112.51 2edt h SER 3 Ca -0.05 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2edt h SER 3 Cb 1.13 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2edt h SER 3 CO 0.08 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.78 2edt n GLY 4 N 1.24 -0.88 3.75 -3.77 0.00 -1.26 -5.11 105.19 99.16 2edt n GLY 4 Ca -0.04 0.70 -0.37 0.00 0.00 0.00 0.00 46.02 46.31 2edt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edt s SER 5 N 0.00 6.50 -1.42 1.61 0.01 -1.26 -4.23 113.70 114.91 2edt s SER 5 Ca 0.00 0.59 -0.11 0.00 1.31 0.00 0.00 55.95 57.75 2edt s SER 5 Cb 0.00 -2.20 0.07 0.00 0.21 0.00 0.00 66.02 64.11 2edt s SER 5 CO 0.00 0.13 0.66 -0.24 0.41 0.00 0.00 173.24 174.21 2edt n SER 6 N 3.30 -4.36 -2.12 2.44 2.88 -1.26 -4.95 113.62 109.55 2edt n SER 6 Ca -0.12 -0.52 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 2edt n SER 6 Cb 0.52 -3.55 0.00 0.00 -0.75 0.00 0.00 64.21 60.43 2edt n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edt n GLY 7 N -1.38 0.72 1.90 0.46 0.00 -1.26 -5.09 105.19 100.54 2edt n GLY 7 Ca -0.01 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 2edt n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edt n PRO 8 N 0.00 -2.18 -4.86 1.61 -0.04 -1.26 -5.07 135.00 123.21 2edt n PRO 8 Ca 0.00 -0.95 -0.31 0.00 -0.04 0.00 0.00 63.50 62.20 2edt n PRO 8 Cb 0.00 -0.89 -0.13 0.00 -0.04 0.00 0.00 33.50 32.44 2edt n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2edt s ALA 9 N -3.00 2.53 -0.12 0.55 0.00 -1.26 -4.88 121.76 115.58 2edt s ALA 9 Ca 0.38 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.26 2edt s ALA 9 Cb -0.04 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.31 2edt s ALA 9 CO 0.30 0.56 -0.21 0.15 0.00 0.00 0.00 175.76 176.55 2edt s LYS 10 N -1.05 2.83 -0.21 0.00 1.02 -1.26 -4.59 119.74 116.47 2edt s LYS 10 Ca 0.13 -0.79 -0.32 0.00 0.02 0.00 0.00 55.97 55.00 2edt s LYS 10 Cb -0.10 -2.24 -0.09 0.00 -0.52 0.00 0.00 37.83 34.88 2edt s LYS 10 CO 0.02 0.05 2.11 1.19 -0.92 0.00 0.00 175.35 177.81 2edt n PHE 11 N 3.87 1.97 0.11 3.18 3.72 -1.26 -1.20 117.46 127.85 2edt n PHE 11 Ca -0.20 0.03 -0.24 0.00 -0.05 0.00 0.00 57.45 56.99 2edt n PHE 11 Cb 0.52 -2.65 -0.15 0.00 -0.94 0.00 0.00 39.48 36.26 2edt n PHE 11 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2edt h THR 12 N 6.60 1.12 0.00 4.37 1.35 -1.01 -3.38 112.91 121.95 2edt h THR 12 Ca -0.39 -2.62 -0.10 0.00 -0.55 0.00 0.00 66.41 62.76 2edt h THR 12 Cb 1.28 2.92 -0.02 0.00 -1.73 0.00 0.00 68.15 70.59 2edt h THR 12 CO 0.98 0.83 -1.74 -0.62 -0.25 0.00 0.00 175.52 174.72 2edt n GLU 13 N -3.66 1.03 -1.47 4.72 -0.58 -0.77 -5.04 120.64 114.86 2edt n GLU 13 Ca -0.21 -0.08 0.19 0.00 -0.42 0.00 0.00 57.16 56.65 2edt n GLU 13 Cb 1.09 -1.33 -0.06 0.00 -0.57 0.00 0.00 31.44 30.57 2edt n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2edt n GLY 14 N 1.92 -2.40 3.55 0.62 0.00 -1.26 -4.86 105.19 102.76 2edt n GLY 14 Ca -0.10 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 2edt n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2edt s LEU 15 N -7.25 0.66 -0.25 0.99 1.43 -1.26 -4.66 118.68 108.33 2edt s LEU 15 Ca 0.00 0.95 -0.10 0.00 -1.03 0.00 0.00 54.13 53.96 2edt s LEU 15 Cb 0.00 -2.79 0.10 0.00 0.03 0.00 0.00 46.19 43.53 2edt s LEU 15 CO 0.00 -4.07 0.56 0.00 0.23 0.00 0.00 176.35 173.07 2edt s ARG 16 N -5.07 0.50 -0.24 1.70 1.70 -1.26 -4.98 118.95 111.30 2edt s ARG 16 Ca 0.69 1.23 -0.40 0.00 -0.47 0.00 0.00 55.73 56.77 2edt s ARG 16 Cb -0.15 0.51 -0.16 0.00 -0.57 0.00 0.00 34.95 34.57 2edt s ARG 16 CO 0.58 -0.20 1.68 0.27 -1.08 0.00 0.00 175.30 176.54 2edt n ASN 17 N 5.13 2.20 -4.59 -2.89 0.23 -1.26 -4.80 115.26 109.27 2edt n ASN 17 Ca -0.13 1.09 -0.30 0.00 -0.53 0.00 0.00 54.58 54.71 2edt n ASN 17 Cb 0.51 -1.13 -0.09 0.00 -2.08 0.00 0.00 39.78 37.00 2edt n ASN 17 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 2edt s GLU 18 N 3.07 2.05 0.33 -3.83 -1.05 -1.18 -4.96 118.70 113.12 2edt s GLU 18 Ca 0.97 -2.25 0.08 0.00 -0.15 0.00 0.00 54.97 53.61 2edt s GLU 18 Cb -1.08 -1.35 -0.06 0.00 -0.44 0.00 0.00 34.13 31.20 2edt s GLU 18 CO 0.64 -0.29 -0.05 -1.21 0.95 0.00 0.00 175.26 175.30 2edt s GLU 19 N -3.81 1.74 0.02 -4.83 2.02 -1.26 -1.03 118.70 111.55 2edt s GLU 19 Ca 0.19 -1.91 -0.29 0.00 0.02 0.00 0.00 54.97 52.98 2edt s GLU 19 Cb 0.04 -1.44 0.10 0.00 0.10 0.00 0.00 34.13 32.94 2edt s GLU 19 CO 0.10 0.04 1.02 0.00 0.02 0.00 0.00 175.26 176.45 2edt s ALA 20 N -2.82 -1.87 -0.02 5.21 0.00 0.20 -4.85 121.76 117.61 2edt s ALA 20 Ca 0.32 0.72 0.02 0.00 0.00 0.00 0.00 51.96 53.02 2edt s ALA 20 Cb 0.05 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 2edt s ALA 20 CO 0.15 -0.86 -0.04 0.08 0.00 0.00 0.00 175.76 175.08 2edt s VAL 21 N -2.97 3.85 0.35 0.00 1.01 -1.26 0.18 120.40 121.56 2edt s VAL 21 Ca 0.10 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 2edt s VAL 21 Cb -0.00 -2.66 -0.14 0.00 0.00 0.00 0.00 36.38 33.57 2edt s VAL 21 CO -0.04 0.45 0.50 -0.62 0.00 0.00 0.00 175.10 175.39 2edt n GLU 22 N 1.71 0.40 0.00 2.72 1.02 -0.62 -0.80 120.64 125.08 2edt n GLU 22 Ca -0.16 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2edt n GLU 22 Cb 0.53 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 2edt n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2edt n GLY 23 N 1.89 1.27 2.30 0.62 0.00 -0.10 -4.70 105.19 106.47 2edt n GLY 23 Ca 0.13 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 2edt n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edt n ALA 24 N 0.00 -3.59 -4.08 4.61 0.00 0.02 -3.24 120.51 114.24 2edt n ALA 24 Ca 0.00 -1.04 -0.32 0.00 0.00 0.00 0.00 53.44 52.07 2edt n ALA 24 Cb 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 19.45 19.20 2edt n ALA 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2edt s THR 25 N -1.77 2.15 0.75 0.00 2.01 -1.26 -1.39 115.64 116.12 2edt s THR 25 Ca 0.45 -1.41 -0.15 0.00 0.31 0.00 0.00 61.69 60.89 2edt s THR 25 Cb -0.08 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.28 2edt s THR 25 CO 0.38 0.15 0.80 0.00 -0.69 0.00 0.00 174.62 175.26 2edt n ALA 26 N 4.49 -0.85 -3.71 7.40 0.00 -1.25 -4.77 120.51 121.83 2edt n ALA 26 Ca -0.16 -0.26 -0.30 0.00 0.00 0.00 0.00 53.44 52.72 2edt n ALA 26 Cb 0.45 -2.01 -0.15 0.00 0.00 0.00 0.00 19.45 17.73 2edt n ALA 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2edt s MET 27 N -3.25 0.70 -0.15 0.00 0.00 -1.26 -3.62 119.30 111.71 2edt s MET 27 Ca 0.69 -1.10 -0.02 0.00 0.00 0.00 0.00 55.69 55.26 2edt s MET 27 Cb -0.33 -1.92 -0.02 0.00 0.00 0.00 0.00 34.83 32.56 2edt s MET 27 CO 0.54 -1.01 -0.09 -0.51 0.00 0.00 0.00 175.02 173.96 2edt s LEU 28 N 1.55 2.92 0.06 4.11 1.43 -1.05 -4.97 118.68 122.74 2edt s LEU 28 Ca 0.11 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 2edt s LEU 28 Cb -0.18 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2edt s LEU 28 CO -0.24 0.13 -0.09 -1.66 0.23 0.00 0.00 176.35 174.72 2edt s TRP 29 N 0.55 0.86 -0.10 0.29 1.48 -1.26 -0.39 118.94 120.37 2edt s TRP 29 Ca -0.06 -0.55 -0.08 0.00 -1.06 0.00 0.00 56.10 54.35 2edt s TRP 29 Cb -0.15 -0.49 0.03 0.00 -1.16 0.00 0.00 33.47 31.70 2edt s TRP 29 CO 0.03 -0.05 0.26 0.00 -4.06 0.00 0.00 176.95 173.14 2edt s GLU 31 N 0.43 3.62 0.51 0.00 2.02 -1.26 -1.02 118.70 123.01 2edt s GLU 31 Ca -0.02 -0.51 0.08 0.00 0.02 0.00 0.00 54.97 54.53 2edt s GLU 31 Cb -0.04 -3.11 0.04 0.00 0.10 0.00 0.00 34.13 31.12 2edt s GLU 31 CO -0.02 -0.01 0.55 -0.51 0.02 0.00 0.00 175.26 175.29 2edt s LEU 32 N 1.06 3.11 0.45 1.80 1.02 0.79 -0.43 118.68 126.49 2edt s LEU 32 Ca 0.02 -0.90 0.23 0.00 0.02 0.00 0.00 54.13 53.51 2edt s LEU 32 Cb -0.14 -1.71 1.06 0.00 0.02 0.00 0.00 46.19 45.41 2edt s LEU 32 CO 0.02 -1.05 1.90 0.77 0.02 0.00 0.00 176.35 178.01 2edt h SER 33 N 0.60 0.00 -5.00 2.29 4.64 -1.48 -3.43 113.55 111.17 2edt h SER 33 Ca -0.36 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.90 2edt h SER 33 Cb 1.29 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.20 2edt h SER 33 CO 0.50 0.23 0.13 -1.59 -0.87 0.00 0.00 176.83 175.23 2edt s LYS 34 N -3.90 1.06 -0.22 4.77 0.00 -1.26 -5.00 119.74 115.20 2edt s LYS 34 Ca -0.01 0.01 -0.35 0.00 0.00 0.00 0.00 55.97 55.62 2edt s LYS 34 Cb 0.12 0.49 -0.12 0.00 0.00 0.00 0.00 37.83 38.33 2edt s LYS 34 CO 0.63 -0.36 1.99 0.28 0.00 0.00 0.00 175.35 177.90 2edt n VAL 35 N 0.63 0.39 -3.83 1.79 0.31 -1.26 -4.70 118.33 111.66 2edt n VAL 35 Ca -0.19 -0.18 -0.12 0.00 -0.01 0.00 0.00 64.34 63.84 2edt n VAL 35 Cb 0.59 -1.76 -0.10 0.00 -0.91 0.00 0.00 33.84 31.66 2edt n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2edt s ALA 36 N 5.47 -0.51 -0.20 3.52 0.00 -1.26 -4.96 121.76 123.82 2edt s ALA 36 Ca 1.00 0.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.75 2edt s ALA 36 Cb -0.78 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 2edt s ALA 36 CO 0.52 -0.22 1.60 -1.25 0.00 0.00 0.00 175.76 176.40 2edt s PRO 37 N -1.27 3.86 0.37 0.00 0.04 -1.26 -5.01 135.00 131.72 2edt s PRO 37 Ca -0.13 1.71 0.06 0.00 0.04 0.00 0.00 61.00 62.67 2edt s PRO 37 Cb -0.06 -4.01 -0.00 0.00 0.04 0.00 0.00 34.50 30.46 2edt s PRO 37 CO 0.02 -1.22 0.52 0.14 0.04 0.00 0.00 177.00 176.51 2edt s VAL 38 N 4.99 3.91 -0.20 -0.36 -7.23 -1.26 -4.39 120.40 115.85 2edt s VAL 38 Ca 0.70 -0.91 -0.02 0.00 -1.81 0.00 0.00 61.98 59.95 2edt s VAL 38 Cb -0.25 -3.37 0.06 0.00 0.56 0.00 0.00 36.38 33.38 2edt s VAL 38 CO 0.28 -0.16 0.02 -1.61 -0.31 0.00 0.00 175.10 173.32 2edt s GLU 39 N -4.27 0.79 -0.01 4.82 2.02 0.54 -4.94 118.70 117.65 2edt s GLU 39 Ca 0.47 -0.50 -0.24 0.00 0.02 0.00 0.00 54.97 54.71 2edt s GLU 39 Cb -0.10 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 2edt s GLU 39 CO 0.33 -0.64 0.74 -1.58 0.02 0.00 0.00 175.26 174.13 2edt s TRP 40 N 1.79 3.65 -0.01 1.61 0.52 -1.26 -0.49 118.94 124.77 2edt s TRP 40 Ca -0.02 1.37 -0.12 0.00 0.02 0.00 0.00 56.10 57.34 2edt s TRP 40 Cb -0.17 -2.82 0.02 0.00 -1.15 0.00 0.00 33.47 29.35 2edt s TRP 40 CO -0.08 0.18 0.26 1.03 0.02 0.00 0.00 176.95 178.35 2edt s ARG 41 N 0.40 0.62 -0.69 4.98 0.52 -0.19 -2.28 118.95 122.31 2edt s ARG 41 Ca 0.38 -0.27 0.01 0.00 -0.52 0.00 0.00 55.73 55.34 2edt s ARG 41 Cb -0.19 0.27 0.17 0.00 0.52 0.00 0.00 34.95 35.72 2edt s ARG 41 CO 0.21 -0.16 0.49 0.21 0.02 0.00 0.00 175.30 176.06 2edt s LYS 42 N -1.39 2.56 3.95 3.54 2.20 -1.24 -0.19 119.74 129.17 2edt s LYS 42 Ca -0.14 -2.98 0.00 0.00 -0.36 0.00 0.00 55.97 52.49 2edt s LYS 42 Cb -0.06 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 2edt s LYS 42 CO 0.03 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.22 2edt n GLY 43 N 2.66 2.83 0.21 5.54 0.00 -1.25 0.33 105.19 115.51 2edt n GLY 43 Ca 0.14 0.31 0.15 0.00 0.00 0.00 0.00 46.02 46.62 2edt n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edt h PRO 44 N 0.00 0.00 0.00 1.61 0.13 -1.96 -3.44 132.00 128.34 2edt h PRO 44 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.76 2edt h PRO 44 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.23 2edt h PRO 44 CO 0.00 0.00 0.18 0.39 -0.23 0.00 0.00 178.00 178.34 2edt n GLU 45 N -2.67 -0.37 -3.84 0.86 1.02 0.15 -5.12 120.64 110.67 2edt n GLU 45 Ca 0.01 -2.01 -0.13 0.00 -0.02 0.00 0.00 57.16 55.02 2edt n GLU 45 Cb 0.26 -0.75 -0.14 0.00 -0.02 0.00 0.00 31.44 30.79 2edt n GLU 45 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2edt s ASN 46 N -4.53 -0.01 0.05 1.62 6.03 -1.26 -3.61 114.94 113.21 2edt s ASN 46 Ca 0.56 0.06 0.05 0.00 -1.03 0.00 0.00 52.86 52.51 2edt s ASN 46 Cb -0.03 0.03 -0.02 0.00 -3.03 0.00 0.00 41.25 38.21 2edt s ASN 46 CO 0.38 -0.04 -0.15 -0.76 -2.03 0.00 0.00 177.10 174.50 2edt s LEU 47 N 0.27 2.19 0.09 3.54 1.43 -0.97 -4.83 118.68 120.39 2edt s LEU 47 Ca -0.02 -0.49 -0.27 0.00 -1.03 0.00 0.00 54.13 52.32 2edt s LEU 47 Cb -0.03 -0.65 0.08 0.00 0.03 0.00 0.00 46.19 45.62 2edt s LEU 47 CO -0.01 0.04 1.05 0.00 0.23 0.00 0.00 176.35 177.66 2edt s ARG 48 N -1.24 0.93 -0.17 1.70 3.03 -1.26 -4.10 118.95 117.84 2edt s ARG 48 Ca 0.02 -0.50 -0.29 0.00 2.03 0.00 0.00 55.73 56.99 2edt s ARG 48 Cb -0.08 0.33 -0.04 0.00 -1.03 0.00 0.00 34.95 34.13 2edt s ARG 48 CO 0.02 -0.42 1.69 0.16 -1.13 0.00 0.00 175.30 175.62 2edt s ASP 49 N -2.89 6.36 0.00 -2.89 -4.77 -1.26 -4.54 116.67 106.68 2edt s ASP 49 Ca 0.12 1.82 0.00 0.00 -3.30 0.00 0.00 52.55 51.19 2edt s ASP 49 Cb 0.00 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 2edt s ASP 49 CO -0.00 -1.24 0.00 0.61 0.70 0.00 0.00 175.17 175.24 2edt n GLY 50 N 4.64 2.77 0.00 2.12 0.00 -0.68 -4.98 105.19 109.07 2edt n GLY 50 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2edt n GLY 50 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2edt n ASP 51 N 0.00 0.00 -0.09 1.61 -0.08 -1.26 -4.70 116.55 112.03 2edt n ASP 51 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 2edt n ASP 51 Cb 0.00 -0.49 0.08 0.00 2.34 0.00 0.00 41.12 43.04 2edt n ASP 51 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2edt h ARG 52 N 0.00 0.80 -5.45 -0.67 0.11 -1.95 -3.39 114.38 103.83 2edt h ARG 52 Ca 0.00 -0.33 -0.63 0.00 0.10 0.00 0.00 59.98 59.12 2edt h ARG 52 Cb 0.00 -0.03 -0.14 0.00 1.11 0.00 0.00 29.97 30.90 2edt h ARG 52 CO 0.00 0.95 0.50 0.71 0.10 0.00 0.00 179.97 182.23 2edt s TYR 53 N -4.60 2.73 -0.76 4.08 2.02 -1.26 -3.03 117.35 116.54 2edt s TYR 53 Ca -0.09 -0.47 -0.22 0.00 -0.37 0.00 0.00 57.07 55.91 2edt s TYR 53 Cb 0.13 -4.20 0.09 0.00 -0.40 0.00 0.00 41.96 37.58 2edt s TYR 53 CO 0.84 -1.55 1.04 0.42 -1.57 0.00 0.00 175.55 174.73 2edt s ILE 54 N 3.90 4.41 -0.13 2.71 1.01 -0.67 -1.68 121.20 130.74 2edt s ILE 54 Ca 0.23 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 2edt s ILE 54 Cb -0.17 -4.74 -0.04 0.00 0.01 0.00 0.00 42.46 37.53 2edt s ILE 54 CO 0.12 -1.51 0.15 -0.76 0.00 0.00 0.00 174.94 172.94 2edt s LEU 55 N 3.75 4.36 0.13 2.97 2.01 -1.26 -1.30 118.68 129.33 2edt s LEU 55 Ca 0.27 0.45 -0.00 0.00 0.01 0.00 0.00 54.13 54.85 2edt s LEU 55 Cb -0.12 -2.09 -0.04 0.00 0.01 0.00 0.00 46.19 43.94 2edt s LEU 55 CO 0.04 0.37 0.03 -0.13 1.01 0.00 0.00 176.35 177.66 2edt s ARG 56 N -0.79 0.91 -0.28 1.70 0.52 -0.12 -4.92 118.95 115.98 2edt s ARG 56 Ca 0.14 -1.42 -0.05 0.00 -0.52 0.00 0.00 55.73 53.88 2edt s ARG 56 Cb -0.12 0.14 0.15 0.00 0.52 0.00 0.00 34.95 35.64 2edt s ARG 56 CO 0.03 -0.21 0.56 -1.14 0.02 0.00 0.00 175.30 174.56 2edt s GLN 57 N -4.00 0.51 -0.36 3.54 0.74 -1.26 -1.99 119.66 116.83 2edt s GLN 57 Ca 0.21 1.08 0.08 0.00 0.05 0.00 0.00 55.36 56.78 2edt s GLN 57 Cb 0.07 0.47 0.64 0.00 1.10 0.00 0.00 33.01 35.29 2edt s GLN 57 CO 0.00 -0.45 1.74 0.39 -0.55 0.00 0.00 175.29 176.43 2edt n GLU 58 N 5.42 2.56 0.00 1.67 1.02 -1.05 -5.03 120.64 125.23 2edt n GLU 58 Ca -0.06 -3.07 0.00 0.00 -0.02 0.00 0.00 57.16 54.01 2edt n GLU 58 Cb 0.50 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 2edt n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2edt n GLY 59 N -0.85 0.17 0.26 0.62 0.00 -1.26 -4.66 105.19 99.46 2edt n GLY 59 Ca 0.45 -1.44 0.17 0.00 0.00 0.00 0.00 46.02 45.21 2edt n GLY 59 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2edt h THR 60 N 0.00 0.00 -3.16 2.61 1.35 -1.87 -3.39 112.91 108.44 2edt h THR 60 Ca 0.00 -0.26 -0.64 0.00 -0.55 0.00 0.00 66.41 64.96 2edt h THR 60 Cb 0.00 1.16 -0.14 0.00 -1.73 0.00 0.00 68.15 67.44 2edt h THR 60 CO 0.00 0.00 -0.56 -0.60 -0.25 0.00 0.00 175.52 174.11 2edt s ARG 61 N -3.73 3.67 0.43 4.72 3.52 -1.26 -0.14 118.95 126.17 2edt s ARG 61 Ca -0.00 -0.31 0.07 0.00 -0.13 0.00 0.00 55.73 55.36 2edt s ARG 61 Cb 0.10 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 2edt s ARG 61 CO 0.44 0.47 0.26 0.00 -0.81 0.00 0.00 175.30 175.65 2edt s GLU 63 N -4.01 0.46 -0.11 0.00 2.02 -0.84 -3.30 118.70 112.92 2edt s GLU 63 Ca 0.41 1.16 0.02 0.00 0.02 0.00 0.00 54.97 56.59 2edt s GLU 63 Cb 0.01 0.43 -0.01 0.00 0.10 0.00 0.00 34.13 34.66 2edt s GLU 63 CO 0.23 -0.21 -0.18 -1.17 0.02 0.00 0.00 175.26 173.95 2edt s LEU 64 N 2.40 2.42 -0.10 1.80 2.96 0.48 -0.94 118.68 127.69 2edt s LEU 64 Ca -0.05 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2edt s LEU 64 Cb -0.11 -1.51 -0.00 0.00 0.50 0.00 0.00 46.19 45.07 2edt s LEU 64 CO -0.16 0.17 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.72 2edt s GLN 65 N 0.27 3.07 -0.62 1.98 -0.21 -0.42 -2.52 119.66 121.21 2edt s GLN 65 Ca -0.13 -0.87 -0.02 0.00 0.02 0.00 0.00 55.36 54.37 2edt s GLN 65 Cb -0.16 -2.33 0.16 0.00 1.00 0.00 0.00 33.01 31.67 2edt s GLN 65 CO 0.07 0.17 0.42 0.42 -2.12 0.00 0.00 175.29 174.25 2edt s ILE 66 N 0.38 3.56 0.05 1.08 1.01 -1.24 -1.67 121.20 124.36 2edt s ILE 66 Ca -0.18 -3.06 -0.30 0.00 0.00 0.00 0.00 60.65 57.12 2edt s ILE 66 Cb -0.18 -3.33 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 2edt s ILE 66 CO 0.08 -0.87 1.87 0.00 0.00 0.00 0.00 174.94 176.02 2edt n GLY 68 N 4.37 0.13 3.90 0.00 0.00 -1.23 -4.94 105.19 107.41 2edt n GLY 68 Ca 0.19 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 2edt n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2edt s LEU 69 N -0.74 2.87 -0.21 0.99 1.43 -0.49 -4.81 118.68 117.72 2edt s LEU 69 Ca 0.00 0.92 -0.33 0.00 -1.03 0.00 0.00 54.13 53.70 2edt s LEU 69 Cb 0.00 -3.65 0.15 0.00 0.03 0.00 0.00 46.19 42.72 2edt s LEU 69 CO 0.00 -1.44 1.21 0.00 0.23 0.00 0.00 176.35 176.35 2edt s ALA 70 N -3.33 -2.06 0.38 4.21 0.00 -1.26 -0.92 121.76 118.78 2edt s ALA 70 Ca 0.58 1.67 0.27 0.00 0.00 0.00 0.00 51.96 54.48 2edt s ALA 70 Cb -0.11 -0.58 1.29 0.00 0.00 0.00 0.00 23.12 23.73 2edt s ALA 70 CO 0.49 -0.45 1.37 -1.33 0.00 0.00 0.00 175.76 175.84 2edt n MET 71 N 0.21 -0.03 0.18 0.00 2.81 -1.26 0.10 117.12 119.12 2edt n MET 71 Ca -0.02 1.11 -0.14 0.00 -1.81 0.00 0.00 57.70 56.84 2edt n MET 71 Cb 0.58 -2.17 -0.08 0.00 -0.71 0.00 0.00 33.22 30.85 2edt n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2edt h ALA 72 N 1.44 -0.39 -0.99 3.04 0.00 -2.00 -2.68 119.26 117.68 2edt h ALA 72 Ca 0.77 -0.09 0.33 0.00 0.00 0.00 0.00 54.91 55.91 2edt h ALA 72 Cb 2.43 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 20.22 2edt h ALA 72 CO -0.44 -0.71 0.50 -0.44 0.00 0.00 0.00 179.25 178.17 2edt h ASP 73 N -0.41 0.38 -1.63 0.00 3.32 0.28 -3.38 116.42 114.97 2edt h ASP 73 Ca -0.04 0.21 -0.61 0.00 0.02 0.00 0.00 57.03 56.61 2edt h ASP 73 Cb 0.32 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2edt h ASP 73 CO 0.07 -0.20 1.49 0.00 -1.72 0.00 0.00 179.24 178.88 2edt n ALA 74 N -2.37 1.47 -2.00 3.45 0.00 -1.01 -4.62 120.51 115.44 2edt n ALA 74 Ca 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2edt n ALA 74 Cb 0.99 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2edt n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2edt n GLY 75 N 6.06 0.49 2.67 0.00 0.00 -1.14 -4.97 105.19 108.31 2edt n GLY 75 Ca 0.35 0.47 -0.22 0.00 0.00 0.00 0.00 46.02 46.62 2edt n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2edt s GLU 76 N 2.49 0.13 -0.07 1.61 2.12 -1.26 -2.80 118.70 120.92 2edt s GLU 76 Ca 0.00 0.03 -0.16 0.00 0.36 0.00 0.00 54.97 55.21 2edt s GLU 76 Cb 0.00 -1.50 -0.05 0.00 0.26 0.00 0.00 34.13 32.84 2edt s GLU 76 CO 0.00 -0.68 0.41 0.71 -0.54 0.00 0.00 175.26 175.16 2edt s TYR 77 N 2.23 3.60 0.08 5.30 1.51 -1.02 -3.86 117.35 125.19 2edt s TYR 77 Ca 0.05 0.88 0.07 0.00 -1.01 0.00 0.00 57.07 57.06 2edt s TYR 77 Cb -0.16 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 2edt s TYR 77 CO -0.12 0.40 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.09 2edt s LEU 78 N -0.19 2.94 -0.31 -1.29 2.01 0.73 -0.33 118.68 122.25 2edt s LEU 78 Ca 0.23 -0.38 -0.00 0.00 0.01 0.00 0.00 54.13 53.99 2edt s LEU 78 Cb -0.15 -1.74 0.10 0.00 0.01 0.00 0.00 46.19 44.40 2edt s LEU 78 CO 0.10 0.21 0.09 0.00 1.01 0.00 0.00 176.35 177.76 2edt s VAL 80 N 1.53 5.21 -0.54 0.00 1.01 0.36 -1.79 120.40 126.18 2edt s VAL 80 Ca 0.10 0.73 0.03 0.00 0.00 0.00 0.00 61.98 62.84 2edt s VAL 80 Cb -0.17 -3.73 0.41 0.00 0.00 0.00 0.00 36.38 32.88 2edt s VAL 80 CO -0.23 0.27 1.44 0.00 0.00 0.00 0.00 175.10 176.58 2edt n GLY 82 N -0.57 1.47 0.12 0.00 0.00 -1.26 -4.10 105.19 100.85 2edt n GLY 82 Ca 0.46 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2edt n GLY 82 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2edt n GLN 83 N 0.00 0.69 -2.84 1.61 0.00 -1.26 -4.97 117.38 110.61 2edt n GLN 83 Ca 0.00 0.18 -0.19 0.00 -0.00 0.00 0.00 57.00 56.99 2edt n GLN 83 Cb 0.00 -1.63 0.02 0.00 0.00 0.00 0.00 30.24 28.64 2edt n GLN 83 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2edt s GLU 84 N -2.54 2.70 -0.26 3.69 8.01 -1.26 -5.12 118.70 123.91 2edt s GLU 84 Ca -0.22 -1.01 -0.27 0.00 0.01 0.00 0.00 54.97 53.48 2edt s GLU 84 Cb 0.08 -2.63 0.17 0.00 -4.31 0.00 0.00 34.13 27.43 2edt s GLU 84 CO 0.73 -0.48 1.26 -0.98 0.01 0.00 0.00 175.26 175.80 2edt s ARG 85 N -4.55 0.24 0.03 1.61 1.04 -1.26 -0.58 118.95 115.49 2edt s ARG 85 Ca 0.56 0.15 0.04 0.00 -1.04 0.00 0.00 55.73 55.44 2edt s ARG 85 Cb -0.10 0.12 -0.02 0.00 -2.04 0.00 0.00 34.95 32.91 2edt s ARG 85 CO 0.36 -0.06 -0.12 -0.08 -0.04 0.00 0.00 175.30 175.36 2edt s THR 86 N -0.52 0.95 0.22 4.99 -1.32 -0.74 -4.96 115.64 114.26 2edt s THR 86 Ca 0.05 -0.92 0.07 0.00 -1.21 0.00 0.00 61.69 59.68 2edt s THR 86 Cb -0.03 -0.87 -0.04 0.00 -1.51 0.00 0.00 72.50 70.05 2edt s THR 86 CO -0.08 -0.04 0.11 -0.94 -2.21 0.00 0.00 174.62 171.46 2edt s SER 87 N -1.09 5.21 0.31 8.08 1.04 -1.26 -0.57 113.70 125.43 2edt s SER 87 Ca -0.00 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.12 2edt s SER 87 Cb -0.08 -1.24 -0.00 0.00 0.10 0.00 0.00 66.02 64.80 2edt s SER 87 CO 0.01 0.02 0.39 0.00 0.98 0.00 0.00 173.24 174.64 2edt n ALA 88 N -0.72 -0.06 -3.60 5.32 0.00 0.55 -4.70 120.51 117.30 2edt n ALA 88 Ca -0.08 -1.54 -0.27 0.00 0.00 0.00 0.00 53.44 51.55 2edt n ALA 88 Cb 0.57 1.24 -0.16 0.00 0.00 0.00 0.00 19.45 21.10 2edt n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2edt s THR 89 N -2.89 -0.02 0.33 0.00 2.01 -1.26 -2.43 115.64 111.38 2edt s THR 89 Ca 0.29 -0.37 -0.13 0.00 0.31 0.00 0.00 61.69 61.78 2edt s THR 89 Cb -0.00 -0.74 -0.08 0.00 0.01 0.00 0.00 72.50 71.69 2edt s THR 89 CO 0.21 -0.40 0.72 -0.22 -0.69 0.00 0.00 174.62 174.24 2edt s LEU 90 N 2.10 4.02 -0.05 4.42 2.96 -1.12 -3.11 118.68 127.90 2edt s LEU 90 Ca 0.04 1.21 0.03 0.00 -0.22 0.00 0.00 54.13 55.18 2edt s LEU 90 Cb -0.16 -4.02 0.01 0.00 0.50 0.00 0.00 46.19 42.51 2edt s LEU 90 CO -0.17 -0.23 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.61 2edt s THR 91 N -2.05 1.18 -0.00 3.68 2.01 -0.20 -2.87 115.64 117.39 2edt s THR 91 Ca 0.53 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2edt s THR 91 Cb -0.10 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 2edt s THR 91 CO 0.21 0.36 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.86 2edt s ILE 92 N 0.44 4.15 -0.29 1.82 -1.09 -1.25 0.59 121.20 125.57 2edt s ILE 92 Ca -0.10 -0.60 -0.01 0.00 -2.23 0.00 0.00 60.65 57.71 2edt s ILE 92 Cb -0.14 -2.85 0.05 0.00 -1.58 0.00 0.00 42.46 37.95 2edt s ILE 92 CO 0.03 0.38 -0.03 -0.13 -1.23 0.00 0.00 174.94 173.96 2edt s ARG 93 N -1.54 2.41 -0.27 2.79 1.81 0.46 -4.89 118.95 119.73 2edt s ARG 93 Ca 0.19 -1.26 -0.44 0.00 -1.72 0.00 0.00 55.73 52.50 2edt s ARG 93 Cb -0.11 -3.09 -0.20 0.00 -0.45 0.00 0.00 34.95 31.10 2edt s ARG 93 CO 0.10 -0.59 1.35 0.00 -0.68 0.00 0.00 175.30 175.48 2edt n ALA 94 N 4.58 -2.42 -1.92 2.13 0.00 -1.26 -1.58 120.51 120.03 2edt n ALA 94 Ca -0.14 0.55 -0.32 0.00 0.00 0.00 0.00 53.44 53.53 2edt n ALA 94 Cb 0.43 -1.85 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 2edt n ALA 94 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2edt s LEU 95 N 1.60 3.84 -0.10 0.00 0.05 -1.26 -4.80 118.68 118.00 2edt s LEU 95 Ca 0.98 1.51 -0.29 0.00 0.05 0.00 0.00 54.13 56.38 2edt s LEU 95 Cb -1.39 -4.39 -0.04 0.00 -2.05 0.00 0.00 46.19 38.32 2edt s LEU 95 CO 0.70 -0.42 1.53 -2.16 -0.55 0.00 0.00 176.35 175.46 2edt s PRO 96 N -3.54 4.16 -0.21 1.48 0.04 -1.26 -4.90 135.00 130.77 2edt s PRO 96 Ca 0.58 1.98 -0.13 0.00 0.04 0.00 0.00 61.00 63.47 2edt s PRO 96 Cb -0.10 -3.93 -0.09 0.00 0.04 0.00 0.00 34.50 30.43 2edt s PRO 96 CO 0.22 -0.85 -0.31 0.43 0.04 0.00 0.00 177.00 176.53 2edt n SER 97 N 7.11 1.75 -2.84 6.66 7.64 -1.26 -4.99 113.62 127.70 2edt n SER 97 Ca 0.16 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.34 2edt n SER 97 Cb 0.44 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2edt n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edt n GLY 98 N 1.55 -2.49 3.55 0.23 0.00 -1.26 -4.85 105.19 101.92 2edt n GLY 98 Ca -0.36 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 2edt n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edt s PRO 99 N -2.16 2.60 -0.11 1.61 0.04 -1.26 -4.97 135.00 130.75 2edt s PRO 99 Ca 0.00 0.31 -0.09 0.00 0.04 0.00 0.00 61.00 61.26 2edt s PRO 99 Cb 0.00 -4.62 -0.04 0.00 0.04 0.00 0.00 34.50 29.88 2edt s PRO 99 CO 0.00 -2.95 0.20 0.45 0.04 0.00 0.00 177.00 174.73 2edt s SER 100 N 8.09 6.45 -0.63 6.66 0.15 -1.26 -5.05 113.70 128.11 2edt s SER 100 Ca 0.68 0.53 -0.21 0.00 0.70 0.00 0.00 55.95 57.66 2edt s SER 100 Cb -0.11 -2.11 0.09 0.00 -1.71 0.00 0.00 66.02 62.18 2edt s SER 100 CO 0.13 0.35 0.83 -0.55 1.20 0.00 0.00 173.24 175.21 2edt s SER 101 N -0.78 6.18 0.00 5.45 0.15 -1.26 -5.18 113.70 118.26 2edt s SER 101 Ca 0.16 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.57 2edt s SER 101 Cb -0.13 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2edt s SER 101 CO 0.05 -1.27 0.00 0.61 1.20 0.00 0.00 173.24 173.83