#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 4.40 0.79 1.61 0.01 -1.26 -5.11 113.70 114.14 2edt s SER 2 Ca 0.00 -0.48 -0.14 0.00 1.31 0.00 0.00 55.95 56.64 2edt s SER 2 Cb 0.00 -0.81 0.07 0.00 0.21 0.00 0.00 66.02 65.49 2edt s SER 2 CO 0.00 0.12 1.20 -0.44 0.41 0.00 0.00 173.24 174.53 2edt s SER 3 N -2.67 3.79 -0.24 2.44 0.01 -1.26 -5.04 113.70 110.74 2edt s SER 3 Ca 0.24 2.34 -0.03 0.00 1.31 0.00 0.00 55.95 59.81 2edt s SER 3 Cb -0.10 -2.59 0.13 0.00 0.21 0.00 0.00 66.02 63.68 2edt s SER 3 CO 0.15 -2.53 0.37 -0.83 0.41 0.00 0.00 173.24 170.81 2edt s GLY 4 N -2.18 -0.38 0.00 3.44 0.00 -1.26 -5.02 107.32 101.93 2edt s GLY 4 Ca 0.73 0.94 0.00 0.00 0.00 0.00 0.00 44.72 46.38 2edt s GLY 4 CO 0.49 2.60 0.00 -1.26 0.00 0.00 0.00 173.10 174.93 2edt n SER 5 N 5.36 0.03 -4.29 1.64 2.88 -1.26 -5.10 113.62 112.89 2edt n SER 5 Ca -0.04 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.27 2edt n SER 5 Cb 0.50 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.84 2edt n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2edt s SER 6 N -4.99 2.54 0.00 -3.46 1.04 -1.26 -5.14 113.70 102.43 2edt s SER 6 Ca 0.00 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.71 2edt s SER 6 Cb 0.00 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2edt s SER 6 CO 0.00 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.86 2edt n GLY 7 N 0.91 5.19 3.63 7.32 0.00 -1.26 -5.17 105.19 115.82 2edt n GLY 7 Ca -0.18 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 2edt n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edt s PRO 8 N 1.86 -0.45 -0.47 1.61 0.04 -1.26 -4.95 135.00 131.38 2edt s PRO 8 Ca 0.00 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 60.96 2edt s PRO 8 Cb 0.00 -1.66 0.03 0.00 0.04 0.00 0.00 34.50 32.91 2edt s PRO 8 CO 0.00 -3.26 1.17 0.00 0.04 0.00 0.00 177.00 174.95 2edt s ALA 9 N -2.99 3.16 0.50 8.56 0.00 -1.26 -4.88 121.76 124.85 2edt s ALA 9 Ca 0.68 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.23 2edt s ALA 9 Cb -0.14 -3.89 0.02 0.00 0.00 0.00 0.00 23.12 19.10 2edt s ALA 9 CO 0.57 -2.25 0.72 0.15 0.00 0.00 0.00 175.76 174.95 2edt s LYS 10 N 4.48 2.78 -0.29 0.00 -0.14 -1.26 -4.15 119.74 121.16 2edt s LYS 10 Ca 0.49 -0.67 -0.09 0.00 -1.36 0.00 0.00 55.97 54.34 2edt s LYS 10 Cb -0.08 -2.53 -0.02 0.00 -1.68 0.00 0.00 37.83 33.52 2edt s LYS 10 CO 0.31 -0.50 0.14 -0.06 -0.76 0.00 0.00 175.35 174.48 2edt s PHE 11 N -2.65 3.16 -0.12 3.18 0.08 -1.26 -0.89 117.98 119.48 2edt s PHE 11 Ca 0.53 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 57.12 2edt s PHE 11 Cb -0.10 -2.33 -0.25 0.00 -0.57 0.00 0.00 43.02 39.77 2edt s PHE 11 CO 0.38 -0.38 0.37 0.25 -0.10 0.00 0.00 175.22 175.73 2edt n THR 12 N 4.98 1.75 -0.10 0.64 -2.24 -1.20 -4.69 114.28 113.42 2edt n THR 12 Ca -0.14 -0.67 -0.21 0.00 -2.27 0.00 0.00 64.05 60.76 2edt n THR 12 Cb 0.50 -1.63 -0.07 0.00 -2.10 0.00 0.00 70.33 67.03 2edt n THR 12 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2edt n GLU 13 N -3.42 0.41 0.00 -0.78 -0.58 -1.26 -5.05 120.64 109.97 2edt n GLU 13 Ca -0.31 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 2edt n GLU 13 Cb 1.05 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 30.73 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 1.80 -2.13 3.63 0.62 0.00 -1.26 -4.96 105.19 102.89 2edt n GLY 14 Ca -0.38 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 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 -4.21 1.72 -0.10 0.99 1.43 -1.26 -4.73 118.68 112.51 2edt s LEU 15 Ca 0.00 1.52 -0.06 0.00 -1.03 0.00 0.00 54.13 54.57 2edt s LEU 15 Cb 0.00 -3.72 0.04 0.00 0.03 0.00 0.00 46.19 42.54 2edt s LEU 15 CO 0.00 -3.33 0.25 0.00 0.23 0.00 0.00 176.35 173.50 2edt s ARG 16 N -4.75 0.21 0.30 1.70 1.70 -1.26 -4.94 118.95 111.91 2edt s ARG 16 Ca 0.66 0.51 -0.30 0.00 -0.47 0.00 0.00 55.73 56.13 2edt s ARG 16 Cb -0.21 -0.09 -0.12 0.00 -0.57 0.00 0.00 34.95 33.96 2edt s ARG 16 CO 0.60 -0.15 1.51 0.27 -1.08 0.00 0.00 175.30 176.45 2edt n ASN 17 N 4.07 3.50 -3.51 -2.89 0.23 -1.26 -4.79 115.26 110.60 2edt n ASN 17 Ca -0.24 1.16 -0.15 0.00 -0.53 0.00 0.00 54.58 54.82 2edt n ASN 17 Cb 0.54 -1.55 -0.06 0.00 -2.08 0.00 0.00 39.78 36.62 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 -0.81 1.71 0.14 -3.83 -1.05 -1.09 -4.97 118.70 108.80 2edt s GLU 18 Ca 0.63 -1.77 0.00 0.00 -0.15 0.00 0.00 54.97 53.68 2edt s GLU 18 Cb -0.53 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 33.49 2edt s GLU 18 CO 0.52 -0.67 0.02 -1.83 0.95 0.00 0.00 175.26 174.26 2edt s GLU 19 N -3.45 0.98 0.25 -4.83 -1.05 -1.26 -0.22 118.70 109.11 2edt s GLU 19 Ca 0.34 -1.46 -0.13 0.00 -0.15 0.00 0.00 54.97 53.57 2edt s GLU 19 Cb 0.02 0.01 0.05 0.00 -0.44 0.00 0.00 34.13 33.76 2edt s GLU 19 CO 0.20 -0.19 0.66 0.00 0.95 0.00 0.00 175.26 176.89 2edt n ALA 20 N -0.14 -1.59 -2.77 -0.84 0.00 0.15 -4.87 120.51 110.45 2edt n ALA 20 Ca -0.07 -0.90 -0.30 0.00 0.00 0.00 0.00 53.44 52.17 2edt n ALA 20 Cb 0.63 0.65 -0.07 0.00 0.00 0.00 0.00 19.45 20.67 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 -2.27 4.49 0.44 0.00 1.01 -1.26 0.14 120.40 122.96 2edt s VAL 21 Ca 0.14 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 61.09 2edt s VAL 21 Cb -0.03 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 2edt s VAL 21 CO 0.07 0.12 0.93 -0.62 0.00 0.00 0.00 175.10 175.60 2edt n GLU 22 N 0.44 1.17 0.00 2.72 1.02 0.34 -1.74 120.64 124.59 2edt n GLU 22 Ca -0.09 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 2edt n GLU 22 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 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 1.29 1.25 3.12 0.62 0.00 -0.29 -4.70 105.19 106.49 2edt n GLY 23 Ca 0.10 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.67 -3.78 4.61 0.00 -0.71 -3.34 120.51 114.62 2edt n ALA 24 Ca 0.00 -1.42 -0.34 0.00 0.00 0.00 0.00 53.44 51.68 2edt n ALA 24 Cb 0.00 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.11 2.86 0.99 0.00 2.01 -1.26 -2.43 115.64 115.70 2edt s THR 25 Ca 0.51 -1.72 -0.14 0.00 0.31 0.00 0.00 61.69 60.65 2edt s THR 25 Cb -0.10 -2.79 0.15 0.00 0.01 0.00 0.00 72.50 69.77 2edt s THR 25 CO 0.45 -0.31 0.23 0.00 -0.69 0.00 0.00 174.62 174.30 2edt n ALA 26 N 4.54 -0.82 -3.36 7.40 0.00 -1.25 -4.82 120.51 122.18 2edt n ALA 26 Ca -0.08 -1.01 -0.06 0.00 0.00 0.00 0.00 53.44 52.29 2edt n ALA 26 Cb 0.42 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 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 -3.36 0.41 -0.12 0.00 0.00 -1.26 -4.25 119.30 110.72 2edt s MET 27 Ca 0.36 0.77 0.00 0.00 0.00 0.00 0.00 55.69 56.82 2edt s MET 27 Cb -0.06 -0.05 0.02 0.00 0.00 0.00 0.00 34.83 34.75 2edt s MET 27 CO 0.35 -0.56 -0.11 -0.51 0.00 0.00 0.00 175.02 174.19 2edt s LEU 28 N 2.65 1.46 0.16 4.11 1.43 -1.02 -4.98 118.68 122.48 2edt s LEU 28 Ca 0.12 -0.37 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 2edt s LEU 28 Cb -0.15 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 2edt s LEU 28 CO -0.17 -0.06 -0.15 -1.66 0.23 0.00 0.00 176.35 174.54 2edt s TRP 29 N 1.41 1.59 -0.28 0.29 1.48 -1.26 -0.36 118.94 121.81 2edt s TRP 29 Ca 0.01 -0.56 -0.19 0.00 -1.06 0.00 0.00 56.10 54.30 2edt s TRP 29 Cb -0.13 -0.79 0.08 0.00 -1.16 0.00 0.00 33.47 31.47 2edt s TRP 29 CO -0.06 0.25 0.71 0.00 -4.06 0.00 0.00 176.95 173.79 2edt s GLU 31 N 1.15 3.59 0.05 0.00 2.02 -1.26 -1.64 118.70 122.61 2edt s GLU 31 Ca -0.06 -0.03 0.01 0.00 0.02 0.00 0.00 54.97 54.91 2edt s GLU 31 Cb -0.05 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 2edt s GLU 31 CO -0.12 0.12 -0.06 -0.51 0.02 0.00 0.00 175.26 174.72 2edt s LEU 32 N -3.93 2.35 0.54 1.80 1.43 -0.58 -3.24 118.68 117.03 2edt s LEU 32 Ca 0.44 -0.71 0.33 0.00 -1.03 0.00 0.00 54.13 53.16 2edt s LEU 32 Cb -0.10 -0.03 1.50 0.00 0.03 0.00 0.00 46.19 47.59 2edt s LEU 32 CO 0.34 -0.35 1.85 -1.28 0.23 0.00 0.00 176.35 177.14 2edt h SER 33 N 3.97 0.01 -5.04 2.29 0.87 -1.34 -3.43 113.55 110.88 2edt h SER 33 Ca -0.35 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 2edt h SER 33 Cb 1.19 -0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.04 2edt h SER 33 CO 0.50 0.00 0.10 -1.59 -0.53 0.00 0.00 176.83 175.32 2edt s LYS 34 N -4.98 1.34 -0.00 2.24 0.00 -1.26 -4.98 119.74 112.09 2edt s LYS 34 Ca -0.05 -0.71 -0.30 0.00 0.00 0.00 0.00 55.97 54.91 2edt s LYS 34 Cb 0.22 0.55 -0.06 0.00 0.00 0.00 0.00 37.83 38.54 2edt s LYS 34 CO 0.79 -0.57 1.58 0.08 0.00 0.00 0.00 175.35 177.23 2edt s VAL 35 N -3.82 3.45 0.09 1.79 1.01 -1.26 -4.76 120.40 116.90 2edt s VAL 35 Ca 0.05 0.75 -0.19 0.00 0.00 0.00 0.00 61.98 62.59 2edt s VAL 35 Cb -0.01 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.93 2edt s VAL 35 CO -0.07 -0.03 0.47 0.00 0.00 0.00 0.00 175.10 175.47 2edt s ALA 36 N 3.16 -1.16 -0.47 5.51 0.00 -1.26 -5.02 121.76 122.51 2edt s ALA 36 Ca 0.71 0.30 -0.28 0.00 0.00 0.00 0.00 51.96 52.69 2edt s ALA 36 Cb -0.35 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 2edt s ALA 36 CO 0.29 -0.58 1.78 -1.25 0.00 0.00 0.00 175.76 176.00 2edt s PRO 37 N -3.11 3.04 0.72 0.00 0.04 -1.26 -4.99 135.00 129.44 2edt s PRO 37 Ca -0.02 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 61.90 2edt s PRO 37 Cb 0.00 -4.26 0.03 0.00 0.04 0.00 0.00 34.50 30.31 2edt s PRO 37 CO -0.07 -2.23 1.09 0.14 0.04 0.00 0.00 177.00 175.97 2edt s VAL 38 N 7.72 3.10 -0.24 -0.36 -7.23 -1.26 -4.83 120.40 117.31 2edt s VAL 38 Ca 0.72 0.29 -0.03 0.00 -1.81 0.00 0.00 61.98 61.14 2edt s VAL 38 Cb -0.17 -3.34 0.08 0.00 0.56 0.00 0.00 36.38 33.51 2edt s VAL 38 CO 0.27 -0.44 0.07 -1.61 -0.31 0.00 0.00 175.10 173.09 2edt s GLU 39 N -5.37 0.52 0.07 4.82 0.41 -0.49 -5.00 118.70 113.66 2edt s GLU 39 Ca 0.59 -0.56 -0.25 0.00 -0.41 0.00 0.00 54.97 54.34 2edt s GLU 39 Cb -0.11 -1.88 -0.06 0.00 -1.78 0.00 0.00 34.13 30.30 2edt s GLU 39 CO 0.50 -0.80 0.77 -1.58 -0.49 0.00 0.00 175.26 173.67 2edt s TRP 40 N 1.88 3.77 0.04 1.61 0.52 -1.26 -1.34 118.94 124.16 2edt s TRP 40 Ca 0.04 1.52 -0.06 0.00 0.02 0.00 0.00 56.10 57.62 2edt s TRP 40 Cb -0.17 -2.82 -0.01 0.00 -1.15 0.00 0.00 33.47 29.32 2edt s TRP 40 CO -0.17 0.32 0.10 1.03 0.02 0.00 0.00 176.95 178.24 2edt s ARG 41 N -0.27 0.61 -0.59 4.98 0.52 -0.33 -2.79 118.95 121.06 2edt s ARG 41 Ca 0.38 -0.78 0.04 0.00 -0.52 0.00 0.00 55.73 54.86 2edt s ARG 41 Cb -0.21 0.24 0.15 0.00 0.52 0.00 0.00 34.95 35.65 2edt s ARG 41 CO 0.24 -0.15 0.38 0.21 0.02 0.00 0.00 175.30 175.99 2edt s LYS 42 N -2.73 2.03 4.77 3.54 2.20 -1.14 -0.25 119.74 128.16 2edt s LYS 42 Ca -0.04 -2.85 0.00 0.00 -0.36 0.00 0.00 55.97 52.72 2edt s LYS 42 Cb -0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 2edt s LYS 42 CO -0.05 -1.23 0.00 0.41 -0.36 0.00 0.00 175.35 174.12 2edt n GLY 43 N 2.58 3.47 0.00 5.54 0.00 -1.22 0.20 105.19 115.76 2edt n GLY 43 Ca 0.15 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.46 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 14.00 0.17 -3.27 1.61 -0.04 -1.26 -4.75 135.00 141.46 2edt n PRO 44 Ca 0.00 0.17 -0.18 0.00 -0.04 0.00 0.00 63.50 63.45 2edt n PRO 44 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -2.65 2.99 -0.24 0.54 2.02 0.13 -5.11 118.70 116.39 2edt s GLU 45 Ca 0.13 -1.11 -0.01 0.00 0.02 0.00 0.00 54.97 54.00 2edt s GLU 45 Cb 0.10 -2.79 0.07 0.00 0.10 0.00 0.00 34.13 31.60 2edt s GLU 45 CO 0.23 -0.08 0.01 -0.80 0.02 0.00 0.00 175.26 174.64 2edt s ASN 46 N -4.25 3.59 0.52 -0.19 0.01 -1.26 -2.89 114.94 110.46 2edt s ASN 46 Ca 0.49 -1.17 -0.01 0.00 -0.71 0.00 0.00 52.86 51.46 2edt s ASN 46 Cb -0.10 -0.94 0.01 0.00 0.41 0.00 0.00 41.25 40.63 2edt s ASN 46 CO 0.32 -0.30 0.76 -0.76 -1.51 0.00 0.00 177.10 175.62 2edt s LEU 47 N 1.57 3.43 0.09 0.60 1.43 -1.12 -4.93 118.68 119.75 2edt s LEU 47 Ca -0.01 0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.17 2edt s LEU 47 Cb -0.18 -3.20 0.09 0.00 0.03 0.00 0.00 46.19 42.93 2edt s LEU 47 CO -0.10 -0.92 1.10 0.00 0.23 0.00 0.00 176.35 176.66 2edt s ARG 48 N -4.73 0.89 -0.09 1.70 1.70 -1.26 -4.52 118.95 112.64 2edt s ARG 48 Ca 0.52 -0.51 -0.30 0.00 -0.47 0.00 0.00 55.73 54.97 2edt s ARG 48 Cb -0.10 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 2edt s ARG 48 CO 0.40 -0.41 1.51 0.16 -1.08 0.00 0.00 175.30 175.88 2edt s ASP 49 N -3.05 6.77 0.00 -2.89 1.47 -1.26 -4.69 116.67 113.03 2edt s ASP 49 Ca 0.15 2.05 0.00 0.00 1.18 0.00 0.00 52.55 55.92 2edt s ASP 49 Cb 0.01 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 40.05 2edt s ASP 49 CO 0.00 -0.86 0.00 0.61 0.68 0.00 0.00 175.17 175.61 2edt n GLY 50 N 3.92 2.38 0.12 2.12 0.00 -0.80 -5.02 105.19 107.91 2edt n GLY 50 Ca 0.16 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 2edt n GLY 50 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2edt h ASP 51 N 0.00 -0.24 -0.77 1.61 1.82 -2.02 -3.31 116.42 113.51 2edt h ASP 51 Ca 0.00 0.01 0.17 0.00 -0.39 0.00 0.00 57.03 56.82 2edt h ASP 51 Cb 0.00 0.06 -0.11 0.00 0.68 0.00 0.00 39.33 39.96 2edt h ASP 51 CO 0.00 -0.07 0.21 0.03 -1.61 0.00 0.00 179.24 177.80 2edt h ARG 52 N -0.51 0.28 -4.67 0.28 3.08 -1.96 -3.35 114.38 107.54 2edt h ARG 52 Ca -0.03 -0.02 -0.69 0.00 0.07 0.00 0.00 59.98 59.31 2edt h ARG 52 Cb 0.22 -0.06 -0.22 0.00 0.08 0.00 0.00 29.97 29.99 2edt h ARG 52 CO 0.05 0.18 -0.51 0.71 -1.07 0.00 0.00 179.97 179.33 2edt s TYR 53 N -6.02 3.22 -0.90 3.04 1.51 -1.25 -2.21 117.35 114.75 2edt s TYR 53 Ca -0.13 -0.64 -0.19 0.00 -1.01 0.00 0.00 57.07 55.10 2edt s TYR 53 Cb 0.22 -2.44 0.12 0.00 -0.11 0.00 0.00 41.96 39.76 2edt s TYR 53 CO 0.76 -0.52 1.10 0.42 -1.11 0.00 0.00 175.55 176.20 2edt s ILE 54 N 1.62 4.69 0.03 2.71 1.01 0.83 -1.91 121.20 130.19 2edt s ILE 54 Ca 0.04 -1.44 -0.18 0.00 0.00 0.00 0.00 60.65 59.07 2edt s ILE 54 Cb -0.18 -4.76 -0.06 0.00 0.01 0.00 0.00 42.46 37.46 2edt s ILE 54 CO 0.08 -1.50 0.53 -0.76 0.00 0.00 0.00 174.94 173.29 2edt s LEU 55 N 2.83 4.49 0.35 2.97 1.02 -1.26 -1.23 118.68 127.85 2edt s LEU 55 Ca 0.31 1.15 0.04 0.00 0.02 0.00 0.00 54.13 55.64 2edt s LEU 55 Cb -0.06 -2.81 -0.04 0.00 0.02 0.00 0.00 46.19 43.30 2edt s LEU 55 CO -0.07 0.25 0.13 -0.13 0.02 0.00 0.00 176.35 176.55 2edt s ARG 56 N -0.87 1.73 -0.30 1.70 0.52 0.51 -4.98 118.95 117.27 2edt s ARG 56 Ca 0.28 -2.01 -0.14 0.00 -0.52 0.00 0.00 55.73 53.33 2edt s ARG 56 Cb -0.18 -0.41 0.18 0.00 0.52 0.00 0.00 34.95 35.05 2edt s ARG 56 CO 0.17 -0.42 1.08 -1.14 0.02 0.00 0.00 175.30 175.01 2edt s GLN 57 N -3.78 0.16 -0.50 3.54 0.74 -1.26 -2.88 119.66 115.68 2edt s GLN 57 Ca 0.31 0.27 0.03 0.00 0.05 0.00 0.00 55.36 56.03 2edt s GLN 57 Cb 0.05 0.15 0.44 0.00 1.10 0.00 0.00 33.01 34.74 2edt s GLN 57 CO 0.16 -0.18 1.51 0.39 -0.55 0.00 0.00 175.29 176.63 2edt n GLU 58 N 5.46 3.22 0.00 1.67 1.02 -1.16 -5.04 120.64 125.81 2edt n GLU 58 Ca -0.07 -3.91 0.00 0.00 -0.02 0.00 0.00 57.16 53.16 2edt n GLU 58 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 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 -0.70 0.10 0.22 0.62 0.00 -1.26 -4.67 105.19 99.49 2edt n GLY 59 Ca 0.49 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.93 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 0.81 -3.14 2.61 1.35 -1.86 -3.42 112.91 109.26 2edt h THR 60 Ca 0.00 -1.11 -0.60 0.00 -0.55 0.00 0.00 66.41 64.15 2edt h THR 60 Cb 0.00 1.68 -0.07 0.00 -1.73 0.00 0.00 68.15 68.03 2edt h THR 60 CO 0.00 0.27 -0.22 -0.60 -0.25 0.00 0.00 175.52 174.72 2edt s ARG 61 N -3.91 4.08 0.35 4.72 3.52 -1.26 -1.53 118.95 124.92 2edt s ARG 61 Ca -0.01 0.34 0.08 0.00 -0.13 0.00 0.00 55.73 56.01 2edt s ARG 61 Cb 0.12 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 2edt s ARG 61 CO 0.66 0.46 0.10 0.00 -0.81 0.00 0.00 175.30 175.70 2edt s GLU 63 N -3.80 0.16 -0.17 0.00 2.02 -1.14 -2.91 118.70 112.87 2edt s GLU 63 Ca 0.37 0.56 -0.00 0.00 0.02 0.00 0.00 54.97 55.92 2edt s GLU 63 Cb -0.01 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.10 2edt s GLU 63 CO 0.21 -0.20 -0.15 -1.17 0.02 0.00 0.00 175.26 173.97 2edt s LEU 64 N 1.58 2.45 -0.20 1.80 2.96 0.51 -0.36 118.68 127.42 2edt s LEU 64 Ca -0.06 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 2edt s LEU 64 Cb -0.11 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.02 2edt s LEU 64 CO -0.08 0.05 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.78 2edt s GLN 65 N 1.04 3.18 -0.71 1.98 -0.21 -0.36 -2.45 119.66 122.12 2edt s GLN 65 Ca -0.01 -0.73 -0.16 0.00 0.02 0.00 0.00 55.36 54.48 2edt s GLN 65 Cb -0.15 -2.79 0.17 0.00 1.00 0.00 0.00 33.01 31.24 2edt s GLN 65 CO -0.04 -0.21 0.70 0.42 -2.12 0.00 0.00 175.29 174.05 2edt s ILE 66 N 1.38 5.31 -0.13 1.08 1.01 -1.26 -0.12 121.20 128.48 2edt s ILE 66 Ca 0.05 -1.90 -0.29 0.00 0.00 0.00 0.00 60.65 58.51 2edt s ILE 66 Cb -0.14 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 2edt s ILE 66 CO -0.08 -1.03 1.68 0.00 0.00 0.00 0.00 174.94 175.51 2edt n GLY 68 N 4.46 0.59 3.85 0.00 0.00 -1.25 -4.87 105.19 107.96 2edt n GLY 68 Ca 0.19 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.25 3.34 -0.22 0.99 1.43 -1.02 -4.84 118.68 118.12 2edt s LEU 69 Ca 0.00 1.54 -0.30 0.00 -1.03 0.00 0.00 54.13 54.34 2edt s LEU 69 Cb 0.00 -4.49 0.16 0.00 0.03 0.00 0.00 46.19 41.89 2edt s LEU 69 CO 0.00 -0.94 1.18 0.00 0.23 0.00 0.00 176.35 176.82 2edt s ALA 70 N -2.93 -2.03 0.31 4.21 0.00 -1.26 -1.14 121.76 118.92 2edt s ALA 70 Ca 0.57 1.71 0.21 0.00 0.00 0.00 0.00 51.96 54.46 2edt s ALA 70 Cb -0.12 -0.98 1.06 0.00 0.00 0.00 0.00 23.12 23.08 2edt s ALA 70 CO 0.46 -0.32 1.14 -1.33 0.00 0.00 0.00 175.76 175.72 2edt n MET 71 N 0.53 -0.03 0.00 0.00 2.81 -1.26 0.20 117.12 119.37 2edt n MET 71 Ca -0.05 0.94 -0.13 0.00 -1.81 0.00 0.00 57.70 56.66 2edt n MET 71 Cb 0.58 -1.80 -0.09 0.00 -0.71 0.00 0.00 33.22 31.20 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 1.24 0.02 -1.32 3.04 0.00 -2.00 -2.92 119.26 117.33 2edt h ALA 72 Ca 0.64 -0.15 0.41 0.00 0.00 0.00 0.00 54.91 55.80 2edt h ALA 72 Cb 1.95 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.63 2edt h ALA 72 CO -0.40 -0.32 0.87 -0.44 0.00 0.00 0.00 179.25 178.96 2edt h ASP 73 N -0.27 0.23 -2.36 0.00 3.32 0.19 -3.38 116.42 114.17 2edt h ASP 73 Ca 0.00 0.10 -0.57 0.00 0.02 0.00 0.00 57.03 56.59 2edt h ASP 73 Cb 0.31 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2edt h ASP 73 CO 0.00 -0.09 1.31 0.00 -1.72 0.00 0.00 179.24 178.74 2edt s ALA 74 N -5.26 3.09 0.00 3.45 0.00 -1.10 -4.72 121.76 117.23 2edt s ALA 74 Ca -0.07 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2edt s ALA 74 Cb 0.28 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2edt s ALA 74 CO 0.82 -2.26 0.00 0.41 0.00 0.00 0.00 175.76 174.74 2edt n GLY 75 N 5.14 0.94 3.11 0.00 0.00 -1.24 -5.00 105.19 108.14 2edt n GLY 75 Ca 0.24 0.40 -0.03 0.00 0.00 0.00 0.00 46.02 46.63 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 2.31 0.46 0.02 1.61 2.12 -1.26 -3.52 118.70 120.44 2edt s GLU 76 Ca 0.00 0.86 -0.05 0.00 0.36 0.00 0.00 54.97 56.15 2edt s GLU 76 Cb 0.00 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.50 2edt s GLU 76 CO 0.00 -0.55 0.25 0.71 -0.54 0.00 0.00 175.26 175.13 2edt s TYR 77 N 2.71 3.55 0.01 5.30 1.51 -0.87 -3.42 117.35 126.15 2edt s TYR 77 Ca 0.13 0.48 0.05 0.00 -1.01 0.00 0.00 57.07 56.73 2edt s TYR 77 Cb -0.15 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 2edt s TYR 77 CO -0.18 0.60 -0.17 -0.51 -1.11 0.00 0.00 175.55 174.18 2edt s LEU 78 N -1.96 2.09 -0.31 -1.29 1.02 0.66 -0.86 118.68 118.04 2edt s LEU 78 Ca 0.29 -0.38 -0.01 0.00 0.02 0.00 0.00 54.13 54.05 2edt s LEU 78 Cb -0.13 -0.82 0.06 0.00 0.02 0.00 0.00 46.19 45.32 2edt s LEU 78 CO 0.19 0.15 0.01 0.00 0.02 0.00 0.00 176.35 176.72 2edt s VAL 80 N 1.21 5.22 -0.15 0.00 1.01 -0.45 -2.21 120.40 125.04 2edt s VAL 80 Ca -0.04 0.55 -0.06 0.00 0.00 0.00 0.00 61.98 62.43 2edt s VAL 80 Cb -0.20 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.57 2edt s VAL 80 CO -0.02 0.24 0.32 0.00 0.00 0.00 0.00 175.10 175.64 2edt n GLY 82 N 4.84 3.02 1.32 0.00 0.00 -1.26 -2.16 105.19 110.95 2edt n GLY 82 Ca -0.15 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 13.50 3.68 -4.41 1.61 6.02 -1.26 -4.96 117.38 131.56 2edt n GLN 83 Ca 0.00 -2.86 -0.22 0.00 -0.01 0.00 0.00 57.00 53.91 2edt n GLN 83 Cb 0.00 -1.91 -0.08 0.00 1.02 0.00 0.00 30.24 29.26 2edt n GLN 83 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2edt s GLU 84 N -2.36 1.81 -0.23 -1.09 0.41 -0.92 -5.15 118.70 111.18 2edt s GLU 84 Ca 0.46 -2.08 -0.29 0.00 -0.41 0.00 0.00 54.97 52.65 2edt s GLU 84 Cb 0.34 -0.23 0.16 0.00 -1.78 0.00 0.00 34.13 32.62 2edt s GLU 84 CO 0.16 -0.53 1.20 -0.98 -0.49 0.00 0.00 175.26 174.62 2edt s ARG 85 N -3.65 0.30 0.21 1.61 1.70 -1.26 -2.14 118.95 115.71 2edt s ARG 85 Ca 0.31 0.10 0.06 0.00 -0.47 0.00 0.00 55.73 55.72 2edt s ARG 85 Cb 0.03 0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.50 2edt s ARG 85 CO 0.19 -0.09 -0.09 -0.08 -1.08 0.00 0.00 175.30 174.15 2edt s THR 86 N -0.94 1.44 0.07 4.99 -1.32 -0.94 -4.97 115.64 113.97 2edt s THR 86 Ca 0.04 -2.12 0.04 0.00 -1.21 0.00 0.00 61.69 58.44 2edt s THR 86 Cb -0.01 -2.13 -0.03 0.00 -1.51 0.00 0.00 72.50 68.82 2edt s THR 86 CO -0.04 -0.53 -0.12 -0.94 -2.21 0.00 0.00 174.62 170.78 2edt s SER 87 N -3.30 1.49 0.19 8.08 1.04 -1.26 -0.84 113.70 119.10 2edt s SER 87 Ca 0.23 -0.64 -0.04 0.00 0.48 0.00 0.00 55.95 55.98 2edt s SER 87 Cb 0.02 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 2edt s SER 87 CO 0.06 -0.14 0.20 0.00 0.98 0.00 0.00 173.24 174.34 2edt s ALA 88 N -1.53 0.70 -0.16 5.32 0.00 -0.04 -4.83 121.76 121.24 2edt s ALA 88 Ca -0.02 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2edt s ALA 88 Cb -0.09 1.15 0.03 0.00 0.00 0.00 0.00 23.12 24.22 2edt s ALA 88 CO 0.02 -0.62 -0.12 0.99 0.00 0.00 0.00 175.76 176.02 2edt s THR 89 N -4.09 1.49 0.17 0.00 2.01 -1.26 -2.04 115.64 111.92 2edt s THR 89 Ca 0.30 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.58 2edt s THR 89 Cb 0.05 -1.46 -0.06 0.00 0.01 0.00 0.00 72.50 71.05 2edt s THR 89 CO 0.08 0.37 0.42 -0.22 -0.69 0.00 0.00 174.62 174.58 2edt s LEU 90 N 1.51 4.23 -0.03 4.42 2.96 -1.23 -2.68 118.68 127.86 2edt s LEU 90 Ca 0.03 0.65 0.06 0.00 -0.22 0.00 0.00 54.13 54.65 2edt s LEU 90 Cb -0.14 -3.39 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 2edt s LEU 90 CO -0.10 0.01 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.85 2edt s THR 91 N -1.73 1.57 0.02 3.68 2.01 0.69 -3.70 115.64 118.19 2edt s THR 91 Ca 0.42 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.64 2edt s THR 91 Cb -0.12 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 2edt s THR 91 CO 0.25 0.45 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.88 2edt s ILE 92 N -0.30 3.33 -0.26 1.82 -1.09 -1.26 0.31 121.20 123.75 2edt s ILE 92 Ca 0.03 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.51 2edt s ILE 92 Cb -0.09 -2.44 0.05 0.00 -1.58 0.00 0.00 42.46 38.39 2edt s ILE 92 CO 0.00 0.35 -0.08 -0.13 -1.23 0.00 0.00 174.94 173.86 2edt s ARG 93 N -1.48 2.48 -0.04 2.79 1.81 0.38 -4.88 118.95 120.01 2edt s ARG 93 Ca 0.17 -1.20 -0.39 0.00 -1.72 0.00 0.00 55.73 52.59 2edt s ARG 93 Cb -0.11 -2.95 -0.19 0.00 -0.45 0.00 0.00 34.95 31.25 2edt s ARG 93 CO 0.07 -0.51 1.06 0.00 -0.68 0.00 0.00 175.30 175.24 2edt n ALA 94 N 4.54 -3.32 -2.36 2.13 0.00 -1.26 -0.50 120.51 119.74 2edt n ALA 94 Ca -0.15 0.56 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 2edt n ALA 94 Cb 0.44 -1.69 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 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 0.24 4.07 -0.04 0.00 0.05 -1.26 -4.71 118.68 117.03 2edt s LEU 95 Ca 0.88 0.97 -0.30 0.00 0.05 0.00 0.00 54.13 55.73 2edt s LEU 95 Cb -1.23 -3.77 -0.05 0.00 -2.05 0.00 0.00 46.19 39.10 2edt s LEU 95 CO 0.56 -0.17 1.48 -2.16 -0.55 0.00 0.00 176.35 175.51 2edt s PRO 96 N -3.16 4.23 0.00 1.48 0.04 -1.26 -4.95 135.00 131.38 2edt s PRO 96 Ca 0.48 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2edt s PRO 96 Cb -0.11 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.69 2edt s PRO 96 CO 0.24 -0.70 0.87 0.43 0.04 0.00 0.00 177.00 177.88 2edt n SER 97 N 6.17 0.00 -4.46 6.66 7.64 -1.26 -4.22 113.62 124.15 2edt n SER 97 Ca 0.15 0.87 -0.44 0.00 1.01 0.00 0.00 58.87 60.45 2edt n SER 97 Cb 0.43 -0.39 -0.14 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.00 -0.39 3.71 0.23 0.00 -1.26 -4.83 105.19 101.66 2edt n GLY 98 Ca 0.00 1.13 -0.42 0.00 0.00 0.00 0.00 46.02 46.73 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 8.42 4.34 0.81 1.61 0.04 -1.26 -4.99 135.00 143.97 2edt s PRO 99 Ca 1.31 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 64.25 2edt s PRO 99 Cb -1.25 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 30.07 2edt s PRO 99 CO 0.51 -0.41 0.90 0.43 0.04 0.00 0.00 177.00 178.47 2edt n SER 100 N 3.96 -0.04 -0.31 6.66 7.64 -1.26 -4.85 113.62 125.42 2edt n SER 100 Ca 0.11 0.55 0.12 0.00 1.01 0.00 0.00 58.87 60.66 2edt n SER 100 Cb 0.43 -1.39 0.26 0.00 -1.01 0.00 0.00 64.21 62.50 2edt n SER 100 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2edt h SER 101 N -0.88 -0.30 0.00 6.43 0.02 -2.04 -3.56 113.55 113.22 2edt h SER 101 Ca -0.46 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2edt h SER 101 Cb 1.31 0.39 0.00 0.00 0.14 0.00 0.00 62.40 64.24 2edt h SER 101 CO 0.43 -0.26 0.00 0.61 -1.14 0.00 0.00 176.83 176.47