#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edt s SER 2 N 0.00 6.38 1.12 1.61 1.04 -1.26 -5.09 113.70 117.50 2edt s SER 2 Ca 0.00 0.31 -0.17 0.00 0.48 0.00 0.00 55.95 56.57 2edt s SER 2 Cb 0.00 -1.98 0.17 0.00 0.10 0.00 0.00 66.02 64.32 2edt s SER 2 CO 0.00 0.15 0.27 -1.20 0.98 0.00 0.00 173.24 173.44 2edt n SER 3 N 0.23 -2.85 -3.44 7.02 7.64 -1.26 -4.97 113.62 115.98 2edt n SER 3 Ca -0.05 -0.34 -0.26 0.00 1.01 0.00 0.00 58.87 59.23 2edt n SER 3 Cb 0.51 -0.89 -0.09 0.00 -1.01 0.00 0.00 64.21 62.74 2edt n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edt n GLY 4 N 2.17 3.86 3.28 0.23 0.00 -1.26 -5.07 105.19 108.40 2edt n GLY 4 Ca 0.04 -2.26 -0.13 0.00 0.00 0.00 0.00 46.02 43.67 2edt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2edt s SER 5 N -1.68 -0.23 -0.19 1.61 0.15 -1.26 -5.16 113.70 106.94 2edt s SER 5 Ca 0.35 0.04 -0.08 0.00 0.70 0.00 0.00 55.95 56.95 2edt s SER 5 Cb 0.11 0.37 0.08 0.00 -1.71 0.00 0.00 66.02 64.87 2edt s SER 5 CO -0.09 -0.56 0.43 -0.55 1.20 0.00 0.00 173.24 173.68 2edt s SER 6 N -1.69 -0.41 -0.46 5.45 0.15 -1.26 -5.12 113.70 110.36 2edt s SER 6 Ca -0.09 0.99 -0.03 0.00 0.70 0.00 0.00 55.95 57.52 2edt s SER 6 Cb -0.03 1.13 0.12 0.00 -1.71 0.00 0.00 66.02 65.53 2edt s SER 6 CO 0.01 -0.22 0.26 -0.83 1.20 0.00 0.00 173.24 173.67 2edt s GLY 7 N 2.06 2.11 0.08 9.45 0.00 -1.26 -5.09 107.32 114.67 2edt s GLY 7 Ca -0.05 -2.71 -0.01 0.00 0.00 0.00 0.00 44.72 41.95 2edt s GLY 7 CO -0.13 1.05 0.07 -1.55 0.00 0.00 0.00 173.10 172.54 2edt n PRO 8 N 4.35 -1.16 -4.26 2.90 -0.04 -1.26 -5.07 135.00 130.45 2edt n PRO 8 Ca -0.00 -0.11 -0.25 0.00 -0.04 0.00 0.00 63.50 63.09 2edt n PRO 8 Cb 0.40 -0.11 -0.08 0.00 -0.04 0.00 0.00 33.50 33.68 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 -2.98 3.12 0.06 0.55 0.00 -1.26 -4.88 121.76 116.38 2edt s ALA 9 Ca 0.05 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.55 2edt s ALA 9 Cb -0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2edt s ALA 9 CO 0.04 0.40 -0.12 0.15 0.00 0.00 0.00 175.76 176.23 2edt s LYS 10 N -3.16 0.72 -0.52 0.00 3.01 -1.26 -4.34 119.74 114.18 2edt s LYS 10 Ca 0.28 -0.90 -0.25 0.00 -1.01 0.00 0.00 55.97 54.09 2edt s LYS 10 Cb -0.08 -0.62 0.04 0.00 -1.01 0.00 0.00 37.83 36.16 2edt s LYS 10 CO 0.18 0.13 0.96 -0.06 0.51 0.00 0.00 175.35 177.07 2edt s PHE 11 N -1.41 2.82 0.09 3.18 0.08 -1.26 -1.19 117.98 120.28 2edt s PHE 11 Ca -0.04 0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.18 2edt s PHE 11 Cb -0.09 -4.08 -0.25 0.00 -0.57 0.00 0.00 43.02 38.03 2edt s PHE 11 CO 0.01 -1.29 1.18 1.79 -0.10 0.00 0.00 175.22 176.81 2edt h THR 12 N 6.05 1.57 0.00 0.64 1.35 -1.90 -3.38 112.91 117.24 2edt h THR 12 Ca -0.25 -3.22 -0.15 0.00 -0.55 0.00 0.00 66.41 62.24 2edt h THR 12 Cb 1.07 2.88 -0.03 0.00 -1.73 0.00 0.00 68.15 70.34 2edt h THR 12 CO 1.08 0.92 -1.58 -0.62 -0.25 0.00 0.00 175.52 175.07 2edt n GLU 13 N -3.43 1.35 -0.97 4.72 -0.58 -1.26 -5.06 120.64 115.41 2edt n GLU 13 Ca -0.05 0.03 0.12 0.00 -0.42 0.00 0.00 57.16 56.84 2edt n GLU 13 Cb 0.99 -1.21 -0.05 0.00 -0.57 0.00 0.00 31.44 30.59 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 2.77 -2.71 3.67 0.62 0.00 -1.26 -4.89 105.19 103.39 2edt n GLY 14 Ca -0.16 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 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 -6.39 2.29 0.01 0.99 1.43 -1.26 -4.80 118.68 110.96 2edt s LEU 15 Ca 0.00 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 2edt s LEU 15 Cb 0.00 -4.13 -0.01 0.00 0.03 0.00 0.00 46.19 42.08 2edt s LEU 15 CO 0.00 -3.01 -0.03 0.00 0.23 0.00 0.00 176.35 173.54 2edt s ARG 16 N -4.74 0.24 0.07 1.70 1.70 -1.26 -4.88 118.95 111.77 2edt s ARG 16 Ca 0.65 -0.39 -0.31 0.00 -0.47 0.00 0.00 55.73 55.21 2edt s ARG 16 Cb -0.21 -0.00 -0.07 0.00 -0.57 0.00 0.00 34.95 34.10 2edt s ARG 16 CO 0.59 -0.01 1.34 0.54 -1.08 0.00 0.00 175.30 176.68 2edt s ASN 17 N -0.89 6.90 0.38 -2.89 4.22 -1.26 -4.60 114.94 116.79 2edt s ASN 17 Ca -0.09 2.19 0.05 0.00 -2.14 0.00 0.00 52.86 52.87 2edt s ASN 17 Cb -0.06 -2.58 -0.02 0.00 1.28 0.00 0.00 41.25 39.87 2edt s ASN 17 CO -0.00 -0.62 0.18 -1.84 -2.04 0.00 0.00 177.10 172.77 2edt n GLU 18 N 4.33 0.53 -3.79 3.55 0.28 -0.77 -4.96 120.64 119.81 2edt n GLU 18 Ca 0.11 -3.36 -0.11 0.00 -0.16 0.00 0.00 57.16 53.64 2edt n GLU 18 Cb 0.44 2.10 -0.08 0.00 1.43 0.00 0.00 31.44 35.32 2edt n GLU 18 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2edt s GLU 19 N -3.47 0.74 0.23 3.44 -1.05 -1.26 -0.97 118.70 116.36 2edt s GLU 19 Ca 0.26 -0.51 -0.06 0.00 -0.15 0.00 0.00 54.97 54.52 2edt s GLU 19 Cb 0.01 0.32 0.02 0.00 -0.44 0.00 0.00 34.13 34.04 2edt s GLU 19 CO 0.18 -0.22 0.40 0.00 0.95 0.00 0.00 175.26 176.57 2edt n ALA 20 N 0.73 -0.70 -2.70 -0.84 0.00 0.11 -4.91 120.51 112.20 2edt n ALA 20 Ca -0.19 -0.86 -0.35 0.00 0.00 0.00 0.00 53.44 52.04 2edt n ALA 20 Cb 0.59 0.69 -0.10 0.00 0.00 0.00 0.00 19.45 20.63 2edt n ALA 20 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2edt s VAL 21 N -2.55 4.16 0.35 0.00 1.01 -1.26 0.12 120.40 122.22 2edt s VAL 21 Ca 0.13 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 2edt s VAL 21 Cb -0.02 -2.75 -0.16 0.00 0.00 0.00 0.00 36.38 33.45 2edt s VAL 21 CO 0.10 0.59 0.19 -0.62 0.00 0.00 0.00 175.10 175.35 2edt n GLU 22 N 2.38 0.00 0.00 2.72 1.02 0.63 -0.52 120.64 126.87 2edt n GLU 22 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2edt n GLU 22 Cb 0.53 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 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 2.22 1.19 2.10 0.62 0.00 -0.06 -4.68 105.19 106.58 2edt n GLY 23 Ca 0.13 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.61 -3.95 4.61 0.00 0.32 -3.14 120.51 115.74 2edt n ALA 24 Ca 0.00 -0.76 -0.33 0.00 0.00 0.00 0.00 53.44 52.35 2edt n ALA 24 Cb 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.64 2.45 1.12 0.00 2.01 -1.26 -1.86 115.64 116.45 2edt s THR 25 Ca 0.33 -1.83 -0.17 0.00 0.31 0.00 0.00 61.69 60.33 2edt s THR 25 Cb -0.06 -2.56 0.17 0.00 0.01 0.00 0.00 72.50 70.06 2edt s THR 25 CO 0.28 -0.26 0.25 0.00 -0.69 0.00 0.00 174.62 174.20 2edt n ALA 26 N 4.43 -2.82 -3.34 7.40 0.00 -1.24 -4.81 120.51 120.12 2edt n ALA 26 Ca -0.08 -1.27 -0.09 0.00 0.00 0.00 0.00 53.44 52.01 2edt n ALA 26 Cb 0.42 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 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 -3.66 0.36 -0.18 0.00 0.00 -1.26 -4.04 119.30 110.53 2edt s MET 27 Ca 0.49 0.46 0.00 0.00 0.00 0.00 0.00 55.69 56.64 2edt s MET 27 Cb -0.09 -0.43 0.04 0.00 0.00 0.00 0.00 34.83 34.34 2edt s MET 27 CO 0.51 -0.72 -0.09 -0.51 0.00 0.00 0.00 175.02 174.22 2edt s LEU 28 N 2.55 1.92 0.25 4.11 1.43 -1.04 -4.98 118.68 122.91 2edt s LEU 28 Ca 0.12 -0.74 0.09 0.00 -1.03 0.00 0.00 54.13 52.57 2edt s LEU 28 Cb -0.15 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.93 2edt s LEU 28 CO -0.19 -0.15 -0.14 -1.66 0.23 0.00 0.00 176.35 174.45 2edt s TRP 29 N 1.51 1.95 0.02 0.29 1.48 -1.26 -1.38 118.94 121.54 2edt s TRP 29 Ca 0.00 -0.54 -0.27 0.00 -1.06 0.00 0.00 56.10 54.23 2edt s TRP 29 Cb -0.15 -0.95 0.07 0.00 -1.16 0.00 0.00 33.47 31.27 2edt s TRP 29 CO -0.08 0.45 0.63 0.00 -4.06 0.00 0.00 176.95 173.88 2edt s GLU 31 N -2.00 2.53 0.04 0.00 2.02 -1.26 -0.96 118.70 119.07 2edt s GLU 31 Ca -0.07 -1.05 0.03 0.00 0.02 0.00 0.00 54.97 53.89 2edt s GLU 31 Cb -0.00 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.77 2edt s GLU 31 CO 0.03 0.46 -0.09 -0.51 0.02 0.00 0.00 175.26 175.17 2edt s LEU 32 N -2.98 2.25 0.34 1.80 1.43 0.14 -3.20 118.68 118.46 2edt s LEU 32 Ca 0.28 -0.55 0.16 0.00 -1.03 0.00 0.00 54.13 53.00 2edt s LEU 32 Cb -0.09 -0.22 0.89 0.00 0.03 0.00 0.00 46.19 46.80 2edt s LEU 32 CO 0.20 -0.18 1.43 0.77 0.23 0.00 0.00 176.35 178.80 2edt h SER 33 N 4.51 0.00 -4.97 2.29 4.64 -1.47 -3.43 113.55 115.13 2edt h SER 33 Ca -0.36 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.06 2edt h SER 33 Cb 1.20 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.18 2edt h SER 33 CO 0.41 0.00 0.41 -1.59 -0.87 0.00 0.00 176.83 175.19 2edt s LYS 34 N -3.42 1.14 -0.61 4.77 -2.85 -1.26 -4.97 119.74 112.54 2edt s LYS 34 Ca -0.02 -0.53 -0.27 0.00 -1.00 0.00 0.00 55.97 54.16 2edt s LYS 34 Cb 0.05 0.45 -0.01 0.00 -2.06 0.00 0.00 37.83 36.26 2edt s LYS 34 CO 0.15 -0.51 1.77 0.08 0.10 0.00 0.00 175.35 176.94 2edt s VAL 35 N -3.38 3.42 0.06 1.79 1.01 -1.26 -4.71 120.40 117.32 2edt s VAL 35 Ca 0.07 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.36 2edt s VAL 35 Cb -0.02 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2edt s VAL 35 CO -0.04 -0.99 -0.13 0.00 0.00 0.00 0.00 175.10 173.93 2edt s ALA 36 N 8.46 1.11 -0.29 5.51 0.00 -1.26 -5.02 121.76 130.27 2edt s ALA 36 Ca 0.64 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 2edt s ALA 36 Cb -0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2edt s ALA 36 CO 0.21 0.16 1.66 -1.25 0.00 0.00 0.00 175.76 176.55 2edt s PRO 37 N -1.55 3.57 0.39 0.00 0.04 -1.26 -5.00 135.00 131.19 2edt s PRO 37 Ca -0.02 1.46 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 2edt s PRO 37 Cb -0.09 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 2edt s PRO 37 CO 0.02 -1.57 0.64 0.14 0.04 0.00 0.00 177.00 176.26 2edt s VAL 38 N 5.95 5.03 -0.30 -0.36 -7.23 -1.26 -4.49 120.40 117.74 2edt s VAL 38 Ca 0.74 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.71 2edt s VAL 38 Cb -0.22 -3.86 0.10 0.00 0.56 0.00 0.00 36.38 32.96 2edt s VAL 38 CO 0.32 -0.66 0.08 -1.61 -0.31 0.00 0.00 175.10 172.92 2edt s GLU 39 N -4.44 0.91 0.24 4.82 2.02 0.83 -4.96 118.70 118.11 2edt s GLU 39 Ca 0.43 -1.17 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 2edt s GLU 39 Cb -0.10 -2.25 -0.09 0.00 0.10 0.00 0.00 34.13 31.79 2edt s GLU 39 CO 0.39 -0.93 1.22 -1.58 0.02 0.00 0.00 175.26 174.38 2edt s TRP 40 N 1.49 3.35 0.07 1.61 0.52 -1.26 -1.83 118.94 122.88 2edt s TRP 40 Ca 0.08 1.44 -0.09 0.00 0.02 0.00 0.00 56.10 57.55 2edt s TRP 40 Cb -0.18 -3.49 0.00 0.00 -1.15 0.00 0.00 33.47 28.66 2edt s TRP 40 CO -0.20 -1.34 0.20 1.03 0.02 0.00 0.00 176.95 176.65 2edt s ARG 41 N -0.80 0.80 -0.51 4.98 0.52 0.48 -2.08 118.95 122.35 2edt s ARG 41 Ca 0.51 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 2edt s ARG 41 Cb -0.35 0.33 0.15 0.00 0.52 0.00 0.00 34.95 35.60 2edt s ARG 41 CO 0.41 -0.25 0.34 0.21 0.02 0.00 0.00 175.30 176.03 2edt s LYS 42 N -3.49 1.59 4.50 3.54 2.20 -1.16 -0.36 119.74 126.56 2edt s LYS 42 Ca 0.02 -2.45 0.00 0.00 -0.36 0.00 0.00 55.97 53.18 2edt s LYS 42 Cb 0.03 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.84 2edt s LYS 42 CO -0.09 -1.24 0.00 0.41 -0.36 0.00 0.00 175.35 174.07 2edt n GLY 43 N 2.91 3.02 0.11 5.54 0.00 -1.25 0.16 105.19 115.69 2edt n GLY 43 Ca 0.16 0.29 0.11 0.00 0.00 0.00 0.00 46.02 46.58 2edt n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edt n PRO 44 N 10.72 0.17 -2.83 1.61 -0.04 -1.26 -4.77 135.00 138.61 2edt n PRO 44 Ca 0.00 0.40 -0.21 0.00 -0.04 0.00 0.00 63.50 63.65 2edt n PRO 44 Cb 0.00 -1.83 0.07 0.00 -0.04 0.00 0.00 33.50 31.71 2edt n PRO 44 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2edt s GLU 45 N -3.28 2.10 -0.08 0.54 0.41 0.12 -5.13 118.70 113.40 2edt s GLU 45 Ca 0.04 -1.34 -0.03 0.00 -0.41 0.00 0.00 54.97 53.23 2edt s GLU 45 Cb 0.09 -2.52 0.04 0.00 -1.78 0.00 0.00 34.13 29.97 2edt s GLU 45 CO 0.37 -1.04 0.16 0.54 -0.49 0.00 0.00 175.26 174.79 2edt s ASN 46 N -4.65 0.40 0.29 -0.19 6.03 -1.26 -2.98 114.94 112.57 2edt s ASN 46 Ca 0.63 0.33 0.07 0.00 -1.03 0.00 0.00 52.86 52.85 2edt s ASN 46 Cb -0.06 0.25 -0.03 0.00 -3.03 0.00 0.00 41.25 38.38 2edt s ASN 46 CO 0.41 -0.21 0.29 -0.76 -2.03 0.00 0.00 177.10 174.80 2edt s LEU 47 N 1.85 3.84 0.09 3.54 1.43 -0.88 -4.90 118.68 123.65 2edt s LEU 47 Ca -0.02 -0.27 -0.27 0.00 -1.03 0.00 0.00 54.13 52.54 2edt s LEU 47 Cb -0.12 -2.44 0.08 0.00 0.03 0.00 0.00 46.19 43.74 2edt s LEU 47 CO -0.06 -0.20 0.93 0.00 0.23 0.00 0.00 176.35 177.25 2edt s ARG 48 N -3.96 1.03 -0.50 1.70 1.70 -1.26 -4.34 118.95 113.32 2edt s ARG 48 Ca 0.37 -0.51 -0.26 0.00 -0.47 0.00 0.00 55.73 54.87 2edt s ARG 48 Cb -0.08 0.39 -0.07 0.00 -0.57 0.00 0.00 34.95 34.63 2edt s ARG 48 CO 0.27 -0.47 2.39 0.34 -1.08 0.00 0.00 175.30 176.75 2edt s ASP 49 N -2.76 4.46 0.09 -2.89 2.15 -1.26 -4.66 116.67 111.80 2edt s ASP 49 Ca 0.09 1.04 0.02 0.00 0.43 0.00 0.00 52.55 54.13 2edt s ASP 49 Cb -0.01 -2.50 -0.01 0.00 -0.30 0.00 0.00 42.92 40.10 2edt s ASP 49 CO -0.03 -2.88 0.08 0.61 -0.17 0.00 0.00 175.17 172.78 2edt n GLY 50 N 6.00 3.73 0.31 2.66 0.00 -0.43 -4.99 105.19 112.47 2edt n GLY 50 Ca 0.36 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 2edt n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2edt h ASP 51 N 0.55 -0.69 -0.92 1.61 3.32 -2.02 -3.09 116.42 115.18 2edt h ASP 51 Ca -0.06 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.05 2edt h ASP 51 Cb 0.32 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 2edt h ASP 51 CO 0.09 -0.47 0.61 0.08 -1.72 0.00 0.00 179.24 177.83 2edt h ARG 52 N -0.77 1.13 -4.47 3.56 0.11 -1.95 -3.36 114.38 108.62 2edt h ARG 52 Ca -0.08 -0.07 -0.72 0.00 0.10 0.00 0.00 59.98 59.21 2edt h ARG 52 Cb 0.60 -0.25 -0.21 0.00 1.11 0.00 0.00 29.97 31.21 2edt h ARG 52 CO 0.12 0.75 -0.09 0.71 0.10 0.00 0.00 179.97 181.56 2edt s TYR 53 N -5.98 3.13 -0.79 4.08 2.02 -1.17 -2.31 117.35 116.33 2edt s TYR 53 Ca -0.12 -0.99 -0.23 0.00 -0.37 0.00 0.00 57.07 55.36 2edt s TYR 53 Cb 0.19 -3.71 0.07 0.00 -0.40 0.00 0.00 41.96 38.11 2edt s TYR 53 CO 0.80 -1.07 1.15 0.42 -1.57 0.00 0.00 175.55 175.28 2edt s ILE 54 N 2.14 4.21 0.08 2.71 1.01 -0.16 -1.32 121.20 129.87 2edt s ILE 54 Ca 0.08 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 2edt s ILE 54 Cb -0.25 -4.82 -0.05 0.00 0.01 0.00 0.00 42.46 37.35 2edt s ILE 54 CO 0.06 -1.63 0.32 -0.76 0.00 0.00 0.00 174.94 172.93 2edt s LEU 55 N 4.30 4.32 0.09 2.97 1.02 -1.26 -1.01 118.68 129.11 2edt s LEU 55 Ca 0.31 0.57 -0.08 0.00 0.02 0.00 0.00 54.13 54.95 2edt s LEU 55 Cb -0.10 -3.01 -0.01 0.00 0.02 0.00 0.00 46.19 43.10 2edt s LEU 55 CO 0.04 0.15 0.17 -0.13 0.02 0.00 0.00 176.35 176.60 2edt s ARG 56 N -2.23 0.83 -0.30 1.70 0.52 0.14 -5.01 118.95 114.59 2edt s ARG 56 Ca 0.35 -0.99 -0.05 0.00 -0.52 0.00 0.00 55.73 54.52 2edt s ARG 56 Cb -0.13 0.33 0.19 0.00 0.52 0.00 0.00 34.95 35.86 2edt s ARG 56 CO 0.21 -0.26 0.75 -1.14 0.02 0.00 0.00 175.30 174.89 2edt s GLN 57 N -3.87 0.44 -0.04 3.54 0.74 -1.26 -1.47 119.66 117.74 2edt s GLN 57 Ca 0.05 0.75 0.11 0.00 0.05 0.00 0.00 55.36 56.33 2edt s GLN 57 Cb 0.05 0.41 -0.23 0.00 1.10 0.00 0.00 33.01 34.34 2edt s GLN 57 CO -0.11 -0.50 0.67 0.93 -0.55 0.00 0.00 175.29 175.73 2edt h GLU 58 N 7.98 0.02 0.00 1.67 5.08 -1.98 -3.50 114.58 123.84 2edt h GLU 58 Ca -0.19 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2edt h GLU 58 Cb 1.17 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2edt h GLU 58 CO 0.13 0.55 0.00 0.41 -1.00 0.00 0.00 179.01 179.11 2edt n GLY 59 N 1.57 0.56 0.00 -3.84 0.00 -1.26 -4.96 105.19 97.27 2edt n GLY 59 Ca -0.17 0.47 0.08 0.00 0.00 0.00 0.00 46.02 46.40 2edt n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2edt n THR 60 N 0.00 0.00 -5.07 2.61 -2.24 -1.26 -4.49 114.28 103.83 2edt n THR 60 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 2edt n THR 60 Cb 0.00 -0.36 -0.17 0.00 -2.10 0.00 0.00 70.33 67.70 2edt n THR 60 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2edt s ARG 61 N -2.00 2.52 0.01 -0.78 3.52 -1.26 0.26 118.95 121.22 2edt s ARG 61 Ca 0.24 -0.77 0.04 0.00 -0.13 0.00 0.00 55.73 55.11 2edt s ARG 61 Cb 0.11 -2.01 -0.03 0.00 -1.56 0.00 0.00 34.95 31.46 2edt s ARG 61 CO 0.19 0.21 -0.09 0.00 -0.81 0.00 0.00 175.30 174.80 2edt s GLU 63 N -1.40 1.87 -0.12 0.00 2.02 -0.54 -2.20 118.70 118.33 2edt s GLU 63 Ca 0.17 -0.50 0.02 0.00 0.02 0.00 0.00 54.97 54.67 2edt s GLU 63 Cb -0.11 -1.53 0.01 0.00 0.10 0.00 0.00 34.13 32.60 2edt s GLU 63 CO 0.07 0.09 -0.18 -1.17 0.02 0.00 0.00 175.26 174.09 2edt s LEU 64 N 0.49 1.87 -0.19 1.80 2.96 -0.48 -0.69 118.68 124.46 2edt s LEU 64 Ca -0.13 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 2edt s LEU 64 Cb -0.15 -1.22 0.02 0.00 0.50 0.00 0.00 46.19 45.33 2edt s LEU 64 CO 0.04 0.05 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.84 2edt s GLN 65 N 0.87 3.05 -0.79 1.98 -0.21 -0.18 -2.51 119.66 121.87 2edt s GLN 65 Ca -0.08 -0.80 -0.15 0.00 0.02 0.00 0.00 55.36 54.35 2edt s GLN 65 Cb -0.15 -2.64 0.19 0.00 1.00 0.00 0.00 33.01 31.40 2edt s GLN 65 CO -0.01 -0.21 0.78 0.42 -2.12 0.00 0.00 175.29 174.16 2edt s ILE 66 N 1.32 5.38 -0.22 1.08 1.01 -1.26 -0.98 121.20 127.53 2edt s ILE 66 Ca 0.05 -2.11 -0.29 0.00 0.00 0.00 0.00 60.65 58.30 2edt s ILE 66 Cb -0.13 -4.50 -0.03 0.00 0.01 0.00 0.00 42.46 37.81 2edt s ILE 66 CO -0.11 -1.09 1.61 0.00 0.00 0.00 0.00 174.94 175.35 2edt n GLY 68 N 4.66 0.74 3.82 0.00 0.00 -1.24 -4.87 105.19 108.29 2edt n GLY 68 Ca 0.19 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.13 2.80 -0.20 0.99 1.43 -0.78 -4.81 118.68 117.98 2edt s LEU 69 Ca 0.00 1.40 -0.31 0.00 -1.03 0.00 0.00 54.13 54.19 2edt s LEU 69 Cb 0.00 -4.12 0.15 0.00 0.03 0.00 0.00 46.19 42.26 2edt s LEU 69 CO 0.00 -1.74 1.16 0.00 0.23 0.00 0.00 176.35 176.01 2edt s ALA 70 N -3.14 -2.02 0.34 4.21 0.00 -1.26 -0.88 121.76 119.01 2edt s ALA 70 Ca 0.60 1.67 0.23 0.00 0.00 0.00 0.00 51.96 54.45 2edt s ALA 70 Cb -0.14 -0.80 1.16 0.00 0.00 0.00 0.00 23.12 23.34 2edt s ALA 70 CO 0.54 -0.37 1.26 -1.33 0.00 0.00 0.00 175.76 175.87 2edt n MET 71 N 0.42 -0.04 0.03 0.00 2.81 -1.26 0.16 117.12 119.25 2edt n MET 71 Ca -0.04 1.04 -0.13 0.00 -1.81 0.00 0.00 57.70 56.76 2edt n MET 71 Cb 0.59 -1.99 -0.08 0.00 -0.71 0.00 0.00 33.22 31.02 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 1.39 -0.03 -1.00 3.04 0.00 -2.00 -2.94 119.26 117.72 2edt h ALA 72 Ca 0.70 -0.12 0.37 0.00 0.00 0.00 0.00 54.91 55.87 2edt h ALA 72 Cb 2.12 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 19.76 2edt h ALA 72 CO -0.46 -0.40 0.54 -0.44 0.00 0.00 0.00 179.25 178.49 2edt h ASP 73 N -0.26 0.38 -2.31 0.00 5.19 0.12 -3.39 116.42 116.15 2edt h ASP 73 Ca -0.00 0.23 -0.57 0.00 -0.62 0.00 0.00 57.03 56.07 2edt h ASP 73 Cb 0.25 0.22 0.04 0.00 0.18 0.00 0.00 39.33 40.02 2edt h ASP 73 CO 0.01 -0.31 1.01 0.00 -3.12 0.00 0.00 179.24 176.83 2edt n ALA 74 N -2.29 1.62 0.00 3.45 0.00 -1.11 -4.70 120.51 117.48 2edt n ALA 74 Ca 0.35 0.35 0.00 0.00 0.00 0.00 0.00 53.44 54.14 2edt n ALA 74 Cb 1.15 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 4.03 -0.31 2.78 0.00 0.00 -1.20 -5.00 105.19 105.49 2edt n GLY 75 Ca 0.19 0.53 -0.18 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 -0.00 -0.17 1.61 2.12 -1.26 -2.88 118.70 118.11 2edt s GLU 76 Ca 0.00 0.50 -0.06 0.00 0.36 0.00 0.00 54.97 55.77 2edt s GLU 76 Cb 0.00 -0.35 -0.04 0.00 0.26 0.00 0.00 34.13 34.00 2edt s GLU 76 CO 0.00 -0.31 0.03 0.71 -0.54 0.00 0.00 175.26 175.14 2edt s TYR 77 N 2.25 3.17 -0.01 5.30 1.51 -1.13 -3.85 117.35 124.59 2edt s TYR 77 Ca 0.04 -0.06 0.06 0.00 -1.01 0.00 0.00 57.07 56.09 2edt s TYR 77 Cb -0.12 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 2edt s TYR 77 CO -0.05 0.08 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.78 2edt s LEU 78 N 0.39 2.56 -0.25 -1.29 1.02 0.51 -1.22 118.68 120.41 2edt s LEU 78 Ca 0.01 -0.33 0.02 0.00 0.02 0.00 0.00 54.13 53.85 2edt s LEU 78 Cb -0.13 -1.50 0.06 0.00 0.02 0.00 0.00 46.19 44.64 2edt s LEU 78 CO 0.01 0.31 -0.10 0.00 0.02 0.00 0.00 176.35 176.59 2edt s VAL 80 N 1.18 5.08 -0.05 0.00 1.01 -0.76 -2.35 120.40 124.51 2edt s VAL 80 Ca -0.08 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 2edt s VAL 80 Cb -0.20 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.30 2edt s VAL 80 CO -0.05 0.32 0.10 0.00 0.00 0.00 0.00 175.10 175.47 2edt n GLY 82 N 4.96 1.16 0.91 0.00 0.00 -1.26 0.24 105.19 111.19 2edt n GLY 82 Ca -0.11 0.60 -0.00 0.00 0.00 0.00 0.00 46.02 46.51 2edt n GLY 82 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2edt n GLN 83 N 0.00 1.85 -4.31 1.61 1.13 -1.26 -5.00 117.38 111.40 2edt n GLN 83 Ca 0.00 -3.36 -0.19 0.00 -1.94 0.00 0.00 57.00 51.51 2edt n GLN 83 Cb 0.00 -1.74 -0.08 0.00 0.11 0.00 0.00 30.24 28.52 2edt n GLN 83 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2edt s GLU 84 N -3.28 1.70 -0.29 -1.09 0.41 0.14 -5.09 118.70 111.19 2edt s GLU 84 Ca 0.41 -1.98 -0.20 0.00 -0.41 0.00 0.00 54.97 52.79 2edt s GLU 84 Cb 0.39 0.15 0.17 0.00 -1.78 0.00 0.00 34.13 33.06 2edt s GLU 84 CO -0.04 -0.58 1.18 -0.98 -0.49 0.00 0.00 175.26 174.35 2edt s ARG 85 N -3.61 0.23 0.06 1.61 1.70 -1.26 -1.62 118.95 116.07 2edt s ARG 85 Ca 0.38 0.34 0.07 0.00 -0.47 0.00 0.00 55.73 56.05 2edt s ARG 85 Cb 0.03 0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.46 2edt s ARG 85 CO 0.23 -0.04 -0.20 -0.08 -1.08 0.00 0.00 175.30 174.13 2edt s THR 86 N 0.70 1.64 0.16 4.99 -1.32 -0.99 -4.95 115.64 115.88 2edt s THR 86 Ca -0.02 -1.31 0.11 0.00 -1.21 0.00 0.00 61.69 59.26 2edt s THR 86 Cb -0.04 -1.46 -0.04 0.00 -1.51 0.00 0.00 72.50 69.45 2edt s THR 86 CO -0.12 0.09 -0.25 -0.94 -2.21 0.00 0.00 174.62 171.19 2edt s SER 87 N -1.44 3.38 0.20 8.08 1.04 -1.26 -0.73 113.70 122.96 2edt s SER 87 Ca 0.07 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.72 2edt s SER 87 Cb -0.09 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 2edt s SER 87 CO 0.03 0.15 0.19 0.00 0.98 0.00 0.00 173.24 174.58 2edt n ALA 88 N 0.56 0.33 -3.68 5.32 0.00 -0.35 -4.78 120.51 117.91 2edt n ALA 88 Ca -0.15 -1.14 -0.22 0.00 0.00 0.00 0.00 53.44 51.93 2edt n ALA 88 Cb 0.55 0.92 -0.17 0.00 0.00 0.00 0.00 19.45 20.75 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 -2.79 0.60 0.05 0.00 2.01 -1.26 -2.86 115.64 111.40 2edt s THR 89 Ca 0.23 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.15 2edt s THR 89 Cb 0.01 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 2edt s THR 89 CO 0.16 0.26 0.02 -0.22 -0.69 0.00 0.00 174.62 174.15 2edt s LEU 90 N 1.26 3.57 -0.05 4.42 2.96 -1.14 -1.85 118.68 127.86 2edt s LEU 90 Ca -0.05 -0.07 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 2edt s LEU 90 Cb -0.14 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 2edt s LEU 90 CO -0.02 0.21 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.13 2edt s THR 91 N -1.25 1.69 -0.11 3.68 2.01 -0.14 -3.24 115.64 118.27 2edt s THR 91 Ca 0.24 -0.86 -0.00 0.00 0.31 0.00 0.00 61.69 61.38 2edt s THR 91 Cb -0.12 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 2edt s THR 91 CO 0.16 0.48 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.83 2edt s ILE 92 N -0.04 3.29 -0.36 1.82 -1.09 -1.26 0.06 121.20 123.62 2edt s ILE 92 Ca -0.04 -0.59 -0.10 0.00 -2.23 0.00 0.00 60.65 57.69 2edt s ILE 92 Cb -0.12 -2.38 0.03 0.00 -1.58 0.00 0.00 42.46 38.41 2edt s ILE 92 CO 0.03 0.54 0.18 -0.13 -1.23 0.00 0.00 174.94 174.32 2edt s ARG 93 N 0.04 2.80 -0.19 2.79 1.81 0.33 -4.85 118.95 121.67 2edt s ARG 93 Ca -0.03 -1.09 -0.40 0.00 -1.72 0.00 0.00 55.73 52.49 2edt s ARG 93 Cb -0.14 -3.65 -0.16 0.00 -0.45 0.00 0.00 34.95 30.54 2edt s ARG 93 CO 0.04 -0.68 1.59 0.00 -0.68 0.00 0.00 175.30 175.57 2edt n ALA 94 N 4.95 -0.66 -1.27 2.13 0.00 -1.26 -0.27 120.51 124.13 2edt n ALA 94 Ca -0.12 0.44 -0.36 0.00 0.00 0.00 0.00 53.44 53.40 2edt n ALA 94 Cb 0.46 -2.14 0.06 0.00 0.00 0.00 0.00 19.45 17.83 2edt n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2edt n LEU 95 N 4.33 0.40 -4.56 0.00 4.77 -1.26 -4.79 117.00 115.89 2edt n LEU 95 Ca 0.24 0.60 -0.32 0.00 -0.03 0.00 0.00 56.01 56.51 2edt n LEU 95 Cb 0.13 -1.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.00 2edt n LEU 95 CO 0.76 -3.27 1.46 -2.16 -1.33 0.00 0.00 177.39 172.84 2edt s PRO 96 N -2.58 2.58 -0.27 3.23 0.04 -1.26 -4.95 135.00 131.79 2edt s PRO 96 Ca 0.65 0.09 -0.14 0.00 0.04 0.00 0.00 61.00 61.64 2edt s PRO 96 Cb -0.36 -4.78 -0.04 0.00 0.04 0.00 0.00 34.50 29.36 2edt s PRO 96 CO 0.59 -3.11 0.32 0.45 0.04 0.00 0.00 177.00 175.29 2edt s SER 97 N 8.07 6.19 0.00 6.66 0.15 -1.26 -4.60 113.70 128.91 2edt s SER 97 Ca 0.69 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.55 2edt s SER 97 Cb -0.09 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2edt s SER 97 CO 0.08 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2edt n GLY 98 N 4.76 -0.66 0.25 9.45 0.00 -1.26 -4.94 105.19 112.79 2edt n GLY 98 Ca -0.10 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2edt n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edt h PRO 99 N 0.00 0.87 -6.12 1.61 0.13 -1.97 -3.46 132.00 123.06 2edt h PRO 99 Ca 0.00 -0.46 -0.55 0.00 -0.87 0.00 0.00 66.00 64.12 2edt h PRO 99 Cb 0.00 0.01 0.23 0.00 0.13 0.00 0.00 31.00 31.38 2edt h PRO 99 CO 0.00 1.10 -1.63 0.45 -0.23 0.00 0.00 178.00 177.69 2edt n SER 100 N -4.12 -5.31 -0.33 1.44 2.88 -1.26 -4.79 113.62 102.12 2edt n SER 100 Ca -0.03 0.23 0.07 0.00 -1.33 0.00 0.00 58.87 57.82 2edt n SER 100 Cb 0.52 -0.84 0.24 0.00 -0.75 0.00 0.00 64.21 63.38 2edt n SER 100 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2edt h SER 101 N -1.03 0.73 -0.03 -3.46 0.87 -1.91 -3.50 113.55 105.22 2edt h SER 101 Ca -0.44 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2edt h SER 101 Cb 1.30 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2edt h SER 101 CO 0.26 0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.51