#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 5.45 -1.00 1.61 0.01 -1.26 -4.50 113.70 114.01 2edt s SER 2 Ca 0.00 0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.42 2edt s SER 2 Cb 0.00 -1.60 0.01 0.00 0.21 0.00 0.00 66.02 64.64 2edt s SER 2 CO 0.00 0.38 0.86 -0.24 0.41 0.00 0.00 173.24 174.65 2edt n SER 3 N 2.16 -4.23 0.00 2.44 2.88 -1.26 -4.97 113.62 110.64 2edt n SER 3 Ca -0.19 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 2edt n SER 3 Cb 0.54 -4.01 0.00 0.00 -0.75 0.00 0.00 64.21 59.99 2edt n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edt n GLY 4 N -1.47 4.15 2.78 0.46 0.00 -1.26 -5.15 105.19 104.70 2edt n GLY 4 Ca -0.07 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 1.00 1.65 0.24 1.61 0.01 -1.26 -5.12 113.70 111.83 2edt s SER 5 Ca 0.00 -0.12 -0.31 0.00 1.31 0.00 0.00 55.95 56.83 2edt s SER 5 Cb 0.00 -0.46 -0.14 0.00 0.21 0.00 0.00 66.02 65.63 2edt s SER 5 CO 0.00 -0.19 1.31 -1.20 0.41 0.00 0.00 173.24 173.57 2edt n SER 6 N 5.14 2.34 0.00 2.44 7.64 -1.26 -4.82 113.62 125.10 2edt n SER 6 Ca -0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.96 2edt n SER 6 Cb 0.50 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2edt n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edt n GLY 7 N 1.93 3.37 3.58 0.23 0.00 -1.26 -5.11 105.19 107.93 2edt n GLY 7 Ca 0.12 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 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 -4.38 -1.53 0.06 1.61 0.04 -1.26 -5.05 135.00 124.49 2edt s PRO 8 Ca 0.00 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 60.87 2edt s PRO 8 Cb 0.00 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.93 2edt s PRO 8 CO 0.00 -3.89 0.19 0.00 0.04 0.00 0.00 177.00 173.34 2edt s ALA 9 N -3.02 3.95 -0.05 8.56 0.00 -1.26 -4.94 121.76 124.99 2edt s ALA 9 Ca 0.72 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.84 2edt s ALA 9 Cb -0.08 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.28 2edt s ALA 9 CO 0.56 0.81 -0.12 0.15 0.00 0.00 0.00 175.76 177.16 2edt s LYS 10 N -2.51 1.52 -0.09 0.00 1.02 -1.26 -4.48 119.74 113.95 2edt s LYS 10 Ca 0.34 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.64 2edt s LYS 10 Cb -0.13 -1.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.83 2edt s LYS 10 CO 0.27 0.06 1.72 -0.06 -0.92 0.00 0.00 175.35 176.43 2edt s PHE 11 N 0.52 1.86 -0.03 3.18 0.40 -1.26 0.13 117.98 122.79 2edt s PHE 11 Ca -0.11 0.20 -0.14 0.00 -0.60 0.00 0.00 56.93 56.28 2edt s PHE 11 Cb -0.14 -3.98 -0.32 0.00 0.51 0.00 0.00 43.02 39.09 2edt s PHE 11 CO 0.03 -3.91 0.78 1.79 0.70 0.00 0.00 175.22 174.60 2edt h THR 12 N 5.80 1.08 0.00 0.64 1.35 -1.75 -3.42 112.91 116.61 2edt h THR 12 Ca -0.40 -2.57 -0.25 0.00 -0.55 0.00 0.00 66.41 62.65 2edt h THR 12 Cb 1.18 2.88 -0.04 0.00 -1.73 0.00 0.00 68.15 70.44 2edt h THR 12 CO 0.96 0.83 -1.87 -0.62 -0.25 0.00 0.00 175.52 174.57 2edt n GLU 13 N -3.69 0.35 0.00 4.72 -0.58 -1.25 -5.05 120.64 115.14 2edt n GLU 13 Ca -0.22 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2edt n GLU 13 Cb 1.06 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 30.78 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 2.32 -1.32 3.67 0.62 0.00 -1.26 -4.97 105.19 104.25 2edt n GLY 14 Ca -0.29 -1.59 -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 -3.50 1.41 -0.22 0.99 1.43 -1.26 -4.66 118.68 112.87 2edt s LEU 15 Ca 0.00 1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.98 2edt s LEU 15 Cb 0.00 -3.07 0.07 0.00 0.03 0.00 0.00 46.19 43.22 2edt s LEU 15 CO 0.00 -3.33 0.52 0.00 0.23 0.00 0.00 176.35 173.78 2edt s ARG 16 N -5.12 0.52 0.61 1.70 1.70 -1.26 -4.94 118.95 112.16 2edt s ARG 16 Ca 0.67 0.98 -0.18 0.00 -0.47 0.00 0.00 55.73 56.73 2edt s ARG 16 Cb -0.16 0.06 -0.06 0.00 -0.57 0.00 0.00 34.95 34.22 2edt s ARG 16 CO 0.57 -0.16 0.70 0.27 -1.08 0.00 0.00 175.30 175.60 2edt n ASN 17 N 4.32 -0.37 -2.99 -2.89 0.23 -1.26 -4.72 115.26 107.58 2edt n ASN 17 Ca -0.22 0.73 -0.08 0.00 -0.53 0.00 0.00 54.58 54.49 2edt n ASN 17 Cb 0.57 -1.27 0.02 0.00 -2.08 0.00 0.00 39.78 37.02 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 -2.50 2.10 0.28 -3.83 -1.05 -0.47 -4.92 118.70 108.31 2edt s GLU 18 Ca 0.71 -1.35 0.02 0.00 -0.15 0.00 0.00 54.97 54.20 2edt s GLU 18 Cb -0.41 0.59 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 2edt s GLU 18 CO 0.52 -0.98 0.13 -1.83 0.95 0.00 0.00 175.26 174.04 2edt s GLU 19 N -2.29 1.48 0.14 -4.83 1.03 -1.26 0.37 118.70 113.34 2edt s GLU 19 Ca 0.16 -1.82 -0.15 0.00 0.03 0.00 0.00 54.97 53.19 2edt s GLU 19 Cb -0.05 -0.13 0.05 0.00 -0.80 0.00 0.00 34.13 33.21 2edt s GLU 19 CO 0.10 -0.38 0.73 0.00 -1.33 0.00 0.00 175.26 174.38 2edt n ALA 20 N -0.50 -1.90 -2.65 -0.84 0.00 0.33 -4.82 120.51 110.13 2edt n ALA 20 Ca 0.01 -0.74 -0.28 0.00 0.00 0.00 0.00 53.44 52.42 2edt n ALA 20 Cb 0.66 0.42 -0.08 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.21 3.74 0.20 0.00 1.01 -1.26 0.55 120.40 122.43 2edt s VAL 21 Ca 0.16 -1.26 -0.32 0.00 0.00 0.00 0.00 61.98 60.57 2edt s VAL 21 Cb -0.02 -2.82 -0.11 0.00 0.00 0.00 0.00 36.38 33.42 2edt s VAL 21 CO 0.04 0.01 1.66 -1.61 0.00 0.00 0.00 175.10 175.19 2edt s GLU 22 N -2.59 4.16 0.00 2.72 2.02 0.47 -1.72 118.70 123.75 2edt s GLU 22 Ca 0.26 2.52 0.00 0.00 0.02 0.00 0.00 54.97 57.77 2edt s GLU 22 Cb -0.10 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.03 2edt s GLU 22 CO 0.17 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.18 2edt n GLY 23 N 3.70 3.31 3.89 -1.39 0.00 0.39 -4.65 105.19 110.45 2edt n GLY 23 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2edt n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edt s ALA 24 N -2.36 2.07 -0.38 4.61 0.00 -0.70 -4.13 121.76 120.88 2edt s ALA 24 Ca 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 2edt s ALA 24 Cb 0.00 -2.80 0.08 0.00 0.00 0.00 0.00 23.12 20.40 2edt s ALA 24 CO 0.00 -2.52 0.15 0.99 0.00 0.00 0.00 175.76 174.38 2edt s THR 25 N -3.77 3.43 1.12 0.00 2.01 -1.26 -1.56 115.64 115.62 2edt s THR 25 Ca 0.73 -1.68 -0.18 0.00 0.31 0.00 0.00 61.69 60.87 2edt s THR 25 Cb -0.05 -3.17 0.12 0.00 0.01 0.00 0.00 72.50 69.41 2edt s THR 25 CO 0.53 -0.46 0.12 0.00 -0.69 0.00 0.00 174.62 174.12 2edt n ALA 26 N 4.68 -3.98 -3.58 7.40 0.00 -1.23 -4.76 120.51 119.03 2edt n ALA 26 Ca -0.07 -1.26 -0.26 0.00 0.00 0.00 0.00 53.44 51.85 2edt n ALA 26 Cb 0.42 -1.58 -0.16 0.00 0.00 0.00 0.00 19.45 18.13 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 -3.55 0.10 -0.13 0.00 -2.45 -1.26 -3.74 119.30 108.26 2edt s MET 27 Ca 0.57 -0.14 0.00 0.00 -1.25 0.00 0.00 55.69 54.88 2edt s MET 27 Cb -0.13 -1.64 0.02 0.00 1.25 0.00 0.00 34.83 34.33 2edt s MET 27 CO 0.66 -0.74 -0.12 -0.51 1.05 0.00 0.00 175.02 175.36 2edt s LEU 28 N 2.15 1.51 0.18 4.11 1.43 -0.93 -5.00 118.68 122.13 2edt s LEU 28 Ca 0.04 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 2edt s LEU 28 Cb -0.16 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2edt s LEU 28 CO -0.15 -0.07 -0.14 -1.66 0.23 0.00 0.00 176.35 174.56 2edt s TRP 29 N 1.52 1.58 -0.23 0.29 1.48 -1.26 -0.61 118.94 121.72 2edt s TRP 29 Ca 0.04 -0.60 -0.15 0.00 -1.06 0.00 0.00 56.10 54.33 2edt s TRP 29 Cb -0.13 -0.76 0.07 0.00 -1.16 0.00 0.00 33.47 31.49 2edt s TRP 29 CO -0.09 0.27 0.57 0.00 -4.06 0.00 0.00 176.95 173.63 2edt s GLU 31 N 1.20 3.51 0.21 0.00 2.02 -1.26 -1.78 118.70 122.60 2edt s GLU 31 Ca -0.07 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.71 2edt s GLU 31 Cb -0.06 -2.61 -0.05 0.00 0.10 0.00 0.00 34.13 31.51 2edt s GLU 31 CO -0.12 0.10 0.08 -0.51 0.02 0.00 0.00 175.26 174.83 2edt s LEU 32 N -4.31 1.59 0.00 1.80 1.43 0.19 -2.52 118.68 116.86 2edt s LEU 32 Ca 0.42 -1.32 0.20 0.00 -1.03 0.00 0.00 54.13 52.40 2edt s LEU 32 Cb -0.10 0.16 1.02 0.00 0.03 0.00 0.00 46.19 47.31 2edt s LEU 32 CO 0.37 -0.73 1.64 -0.24 0.23 0.00 0.00 176.35 177.62 2edt n SER 33 N -0.31 0.00 -3.60 2.29 2.88 0.36 -4.65 113.62 110.60 2edt n SER 33 Ca -0.01 0.01 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 2edt n SER 33 Cb 0.65 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.79 2edt n SER 33 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2edt s LYS 34 N -2.59 0.34 -0.19 -1.46 -2.85 -1.26 -4.90 119.74 106.82 2edt s LYS 34 Ca 0.19 -0.06 -0.29 0.00 -1.00 0.00 0.00 55.97 54.81 2edt s LYS 34 Cb 0.14 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 2edt s LYS 34 CO 0.31 -0.13 1.82 0.08 0.10 0.00 0.00 175.35 177.53 2edt s VAL 35 N -2.02 3.42 0.02 1.79 1.01 -1.26 -4.70 120.40 118.66 2edt s VAL 35 Ca 0.07 0.46 -0.10 0.00 0.00 0.00 0.00 61.98 62.41 2edt s VAL 35 Cb -0.01 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.94 2edt s VAL 35 CO -0.05 -0.20 0.21 0.00 0.00 0.00 0.00 175.10 175.06 2edt s ALA 36 N 5.96 -0.46 -0.30 5.51 0.00 -1.26 -5.00 121.76 126.21 2edt s ALA 36 Ca 0.81 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 2edt s ALA 36 Cb -0.29 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2edt s ALA 36 CO 0.33 -0.30 1.67 -1.25 0.00 0.00 0.00 175.76 176.20 2edt s PRO 37 N -2.00 3.56 0.54 0.00 0.04 -1.26 -5.00 135.00 130.88 2edt s PRO 37 Ca -0.09 1.45 0.02 0.00 0.04 0.00 0.00 61.00 62.42 2edt s PRO 37 Cb -0.04 -4.11 0.03 0.00 0.04 0.00 0.00 34.50 30.43 2edt s PRO 37 CO -0.01 -1.58 0.75 0.14 0.04 0.00 0.00 177.00 176.34 2edt s VAL 38 N 5.99 2.69 -0.17 -0.36 -7.23 -1.26 -4.59 120.40 115.47 2edt s VAL 38 Ca 0.74 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 60.16 2edt s VAL 38 Cb -0.22 -2.99 0.06 0.00 0.56 0.00 0.00 36.38 33.79 2edt s VAL 38 CO 0.32 0.00 0.07 -1.61 -0.31 0.00 0.00 175.10 173.57 2edt s GLU 39 N -4.72 0.28 0.05 4.82 2.02 0.50 -4.97 118.70 116.67 2edt s GLU 39 Ca 0.57 -0.18 -0.27 0.00 0.02 0.00 0.00 54.97 55.11 2edt s GLU 39 Cb -0.10 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.21 2edt s GLU 39 CO 0.38 -0.64 0.84 -1.58 0.02 0.00 0.00 175.26 174.28 2edt s TRP 40 N 2.04 3.73 0.10 1.61 0.52 -1.26 -1.13 118.94 124.54 2edt s TRP 40 Ca 0.01 1.57 -0.05 0.00 0.02 0.00 0.00 56.10 57.65 2edt s TRP 40 Cb -0.16 -2.93 -0.02 0.00 -1.15 0.00 0.00 33.47 29.21 2edt s TRP 40 CO -0.08 0.20 0.11 1.03 0.02 0.00 0.00 176.95 178.22 2edt s ARG 41 N 0.20 0.83 -0.45 4.98 0.52 0.45 -2.15 118.95 123.33 2edt s ARG 41 Ca 0.43 -1.16 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 2edt s ARG 41 Cb -0.21 0.29 0.15 0.00 0.52 0.00 0.00 34.95 35.70 2edt s ARG 41 CO 0.25 -0.24 0.31 0.21 0.02 0.00 0.00 175.30 175.85 2edt s LYS 42 N -3.93 1.16 4.85 3.54 2.20 -1.20 -0.30 119.74 126.06 2edt s LYS 42 Ca 0.11 -2.11 0.00 0.00 -0.36 0.00 0.00 55.97 53.61 2edt s LYS 42 Cb 0.06 -1.93 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 2edt s LYS 42 CO -0.07 -1.28 0.00 0.41 -0.36 0.00 0.00 175.35 174.06 2edt n GLY 43 N 3.14 3.02 0.26 5.54 0.00 -1.25 -0.25 105.19 115.67 2edt n GLY 43 Ca 0.19 0.29 0.15 0.00 0.00 0.00 0.00 46.02 46.65 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 -7.40 1.61 0.13 -1.98 -3.44 132.00 120.92 2edt h PRO 44 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2edt h PRO 44 Cb 0.00 0.00 0.11 0.00 0.13 0.00 0.00 31.00 31.24 2edt h PRO 44 CO 0.00 0.08 0.24 -1.21 -0.23 0.00 0.00 178.00 176.88 2edt s GLU 45 N -3.73 1.42 -0.10 0.86 0.41 0.66 -5.11 118.70 113.11 2edt s GLU 45 Ca 0.00 -0.69 -0.04 0.00 -0.41 0.00 0.00 54.97 53.84 2edt s GLU 45 Cb 0.10 -2.13 0.05 0.00 -1.78 0.00 0.00 34.13 30.37 2edt s GLU 45 CO 0.57 -1.74 0.18 0.54 -0.49 0.00 0.00 175.26 174.32 2edt s ASN 46 N -4.74 0.75 0.26 -0.19 2.20 -1.26 -3.26 114.94 108.69 2edt s ASN 46 Ca 0.68 0.33 0.06 0.00 -0.94 0.00 0.00 52.86 52.99 2edt s ASN 46 Cb -0.06 0.35 -0.03 0.00 -2.00 0.00 0.00 41.25 39.52 2edt s ASN 46 CO 0.47 -0.25 0.32 -0.76 -2.94 0.00 0.00 177.10 173.94 2edt s LEU 47 N 2.32 4.05 -0.04 3.54 1.43 -0.91 -4.93 118.68 124.13 2edt s LEU 47 Ca 0.03 -0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 52.71 2edt s LEU 47 Cb -0.12 -2.62 0.11 0.00 0.03 0.00 0.00 46.19 43.59 2edt s LEU 47 CO -0.07 -0.13 1.08 0.00 0.23 0.00 0.00 176.35 177.46 2edt s ARG 48 N -3.96 0.63 -0.72 1.70 1.70 -1.26 -4.31 118.95 112.73 2edt s ARG 48 Ca 0.36 -0.28 -0.25 0.00 -0.47 0.00 0.00 55.73 55.08 2edt s ARG 48 Cb -0.08 0.26 -0.14 0.00 -0.57 0.00 0.00 34.95 34.42 2edt s ARG 48 CO 0.28 -0.28 2.41 -0.40 -1.08 0.00 0.00 175.30 176.23 2edt n ASP 49 N -0.28 1.59 0.00 -2.89 5.75 -1.26 -4.64 116.55 114.82 2edt n ASP 49 Ca -0.05 -0.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 2edt n ASP 49 Cb 0.61 -1.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.20 2edt n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2edt n GLY 50 N 6.41 5.81 0.05 6.12 0.00 -0.65 -4.99 105.19 117.94 2edt n GLY 50 Ca 0.47 -1.54 -0.02 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.09 -0.07 1.61 1.82 -2.02 -3.31 116.42 114.37 2edt h ASP 51 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.66 2edt h ASP 51 Cb 0.00 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.03 2edt h ASP 51 CO 0.00 -0.00 0.06 0.08 -1.61 0.00 0.00 179.24 177.77 2edt h ARG 52 N -0.23 0.00 -4.30 0.28 0.11 -1.95 -3.35 114.38 104.94 2edt h ARG 52 Ca -0.01 0.00 -0.73 0.00 0.10 0.00 0.00 59.98 59.34 2edt h ARG 52 Cb 0.08 0.00 -0.27 0.00 1.11 0.00 0.00 29.97 30.89 2edt h ARG 52 CO 0.02 0.00 -0.37 0.71 0.10 0.00 0.00 179.97 180.43 2edt s TYR 53 N -4.81 3.35 -0.84 4.08 2.02 -1.24 -1.16 117.35 118.75 2edt s TYR 53 Ca -0.05 -1.58 -0.22 0.00 -0.37 0.00 0.00 57.07 54.85 2edt s TYR 53 Cb 0.16 -3.39 0.09 0.00 -0.40 0.00 0.00 41.96 38.42 2edt s TYR 53 CO 0.60 -0.94 1.15 0.42 -1.57 0.00 0.00 175.55 175.20 2edt s ILE 54 N 1.45 4.35 0.09 2.71 1.01 0.26 -1.63 121.20 129.44 2edt s ILE 54 Ca 0.04 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 2edt s ILE 54 Cb -0.26 -4.81 -0.06 0.00 0.01 0.00 0.00 42.46 37.34 2edt s ILE 54 CO 0.01 -1.60 0.39 -0.76 0.00 0.00 0.00 174.94 172.98 2edt s LEU 55 N 3.85 4.33 0.02 2.97 1.02 -1.26 -1.17 118.68 128.43 2edt s LEU 55 Ca 0.32 0.74 -0.11 0.00 0.02 0.00 0.00 54.13 55.10 2edt s LEU 55 Cb -0.08 -3.04 0.01 0.00 0.02 0.00 0.00 46.19 43.09 2edt s LEU 55 CO -0.01 0.15 0.22 -0.13 0.02 0.00 0.00 176.35 176.60 2edt s ARG 56 N -2.07 0.64 -0.20 1.70 0.52 -0.03 -5.01 118.95 114.49 2edt s ARG 56 Ca 0.35 -0.43 -0.04 0.00 -0.52 0.00 0.00 55.73 55.08 2edt s ARG 56 Cb -0.13 0.27 0.10 0.00 0.52 0.00 0.00 34.95 35.71 2edt s ARG 56 CO 0.19 -0.18 0.32 -1.14 0.02 0.00 0.00 175.30 174.52 2edt s GLN 57 N -1.90 0.26 0.00 3.54 0.74 -1.26 -0.57 119.66 120.48 2edt s GLN 57 Ca -0.10 0.60 0.22 0.00 0.05 0.00 0.00 55.36 56.13 2edt s GLN 57 Cb -0.04 -0.39 0.53 0.00 1.10 0.00 0.00 33.01 34.20 2edt s GLN 57 CO -0.00 -0.50 1.46 0.39 -0.55 0.00 0.00 175.29 176.09 2edt n GLU 58 N 5.36 2.61 0.00 1.67 -0.58 -1.15 -5.04 120.64 123.51 2edt n GLU 58 Ca -0.05 -2.46 0.00 0.00 -0.42 0.00 0.00 57.16 54.23 2edt n GLU 58 Cb 0.50 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 2edt n GLU 58 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2edt n GLY 59 N 1.52 0.32 0.00 0.62 0.00 -1.26 -4.83 105.19 101.57 2edt n GLY 59 Ca 0.21 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 0.15 -5.11 2.61 -2.24 -1.26 -4.49 114.28 103.94 2edt n THR 60 Ca 0.00 0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.50 2edt n THR 60 Cb 0.00 -0.75 -0.16 0.00 -2.10 0.00 0.00 70.33 67.31 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 -2.18 3.07 -0.19 -0.78 3.52 -1.26 0.55 118.95 121.68 2edt s ARG 61 Ca 0.24 -0.83 -0.01 0.00 -0.13 0.00 0.00 55.73 54.99 2edt s ARG 61 Cb 0.12 -2.37 0.00 0.00 -1.56 0.00 0.00 34.95 31.14 2edt s ARG 61 CO 0.23 0.22 -0.12 0.00 -0.81 0.00 0.00 175.30 174.82 2edt s GLU 63 N 1.26 3.65 -0.10 0.00 8.01 0.27 -2.32 118.70 129.47 2edt s GLU 63 Ca 0.03 -0.23 0.03 0.00 0.01 0.00 0.00 54.97 54.81 2edt s GLU 63 Cb -0.14 -3.19 0.01 0.00 -4.31 0.00 0.00 34.13 26.50 2edt s GLU 63 CO -0.06 0.57 -0.18 -1.17 0.01 0.00 0.00 175.26 174.43 2edt s LEU 64 N -0.43 1.84 -0.17 1.80 2.96 0.22 -0.85 118.68 124.05 2edt s LEU 64 Ca 0.11 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 2edt s LEU 64 Cb -0.12 -1.14 0.02 0.00 0.50 0.00 0.00 46.19 45.45 2edt s LEU 64 CO 0.02 0.07 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.86 2edt s GLN 65 N 0.69 2.50 -0.59 1.98 -0.21 -0.32 -2.19 119.66 121.52 2edt s GLN 65 Ca -0.13 -0.71 -0.17 0.00 0.02 0.00 0.00 55.36 54.37 2edt s GLN 65 Cb -0.16 -2.33 0.13 0.00 1.00 0.00 0.00 33.01 31.65 2edt s GLN 65 CO 0.03 -0.26 0.61 0.42 -2.12 0.00 0.00 175.29 173.98 2edt s ILE 66 N 1.40 5.09 -0.25 1.08 1.01 -1.25 -0.57 121.20 127.71 2edt s ILE 66 Ca 0.04 -1.39 -0.29 0.00 0.00 0.00 0.00 60.65 59.00 2edt s ILE 66 Cb -0.13 -4.42 -0.01 0.00 0.01 0.00 0.00 42.46 37.91 2edt s ILE 66 CO -0.11 -1.00 1.34 0.00 0.00 0.00 0.00 174.94 175.18 2edt n GLY 68 N 4.18 0.72 3.80 0.00 0.00 -1.24 -4.84 105.19 107.81 2edt n GLY 68 Ca 0.15 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.42 3.52 0.11 0.99 1.43 -0.60 -4.82 118.68 118.91 2edt s LEU 69 Ca 0.00 1.82 -0.25 0.00 -1.03 0.00 0.00 54.13 54.67 2edt s LEU 69 Cb 0.00 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.76 2edt s LEU 69 CO 0.00 -1.12 0.71 0.00 0.23 0.00 0.00 176.35 176.17 2edt s ALA 70 N -2.43 -1.65 0.46 4.21 0.00 -1.26 -0.46 121.76 120.63 2edt s ALA 70 Ca 0.64 0.60 0.36 0.00 0.00 0.00 0.00 51.96 53.55 2edt s ALA 70 Cb -0.16 0.73 1.52 0.00 0.00 0.00 0.00 23.12 25.21 2edt s ALA 70 CO 0.36 -0.77 1.53 -1.33 0.00 0.00 0.00 175.76 175.54 2edt n MET 71 N -0.34 -0.03 0.36 0.00 2.81 -1.26 0.13 117.12 118.79 2edt n MET 71 Ca -0.13 1.19 -0.17 0.00 -1.81 0.00 0.00 57.70 56.78 2edt n MET 71 Cb 0.64 -2.42 -0.08 0.00 -0.71 0.00 0.00 33.22 30.64 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 1.42 -0.92 -1.00 3.04 0.00 -2.00 -2.90 119.26 116.91 2edt h ALA 72 Ca 0.88 -0.22 0.39 0.00 0.00 0.00 0.00 54.91 55.96 2edt h ALA 72 Cb 2.99 0.35 -0.15 0.00 0.00 0.00 0.00 17.79 20.99 2edt h ALA 72 CO -0.35 -0.95 0.58 -0.25 0.00 0.00 0.00 179.25 178.28 2edt n ASP 73 N -5.44 0.27 -4.59 0.00 9.92 0.12 -4.23 116.55 112.61 2edt n ASP 73 Ca -0.13 1.41 -0.44 0.00 -0.53 0.00 0.00 54.79 55.10 2edt n ASP 73 Cb 0.38 -0.69 -0.04 0.00 -0.64 0.00 0.00 41.12 40.14 2edt n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2edt n ALA 74 N -2.40 1.60 -2.00 2.24 0.00 -1.10 -4.61 120.51 114.25 2edt n ALA 74 Ca 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2edt n ALA 74 Cb 1.23 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 5.60 -0.47 2.79 0.00 0.00 -1.13 -4.98 105.19 107.01 2edt n GLY 75 Ca 0.30 0.62 -0.17 0.00 0.00 0.00 0.00 46.02 46.76 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 2.73 -0.00 -0.11 1.61 2.12 -1.26 -2.57 118.70 121.22 2edt s GLU 76 Ca 0.00 0.44 -0.03 0.00 0.36 0.00 0.00 54.97 55.74 2edt s GLU 76 Cb 0.00 -0.33 -0.03 0.00 0.26 0.00 0.00 34.13 34.02 2edt s GLU 76 CO 0.00 -0.28 0.01 0.71 -0.54 0.00 0.00 175.26 175.16 2edt s TYR 77 N 1.98 3.19 0.04 5.30 1.51 -0.78 -3.77 117.35 124.82 2edt s TYR 77 Ca 0.01 0.15 0.09 0.00 -1.01 0.00 0.00 57.07 56.31 2edt s TYR 77 Cb -0.12 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 2edt s TYR 77 CO -0.05 0.40 -0.24 -0.51 -1.11 0.00 0.00 175.55 174.04 2edt s LEU 78 N -0.63 2.16 -0.23 -1.29 1.02 0.59 -0.21 118.68 120.09 2edt s LEU 78 Ca 0.10 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 53.70 2edt s LEU 78 Cb -0.12 -1.18 0.06 0.00 0.02 0.00 0.00 46.19 44.97 2edt s LEU 78 CO 0.02 0.23 -0.06 0.00 0.02 0.00 0.00 176.35 176.56 2edt s VAL 80 N 1.37 5.08 -0.21 0.00 1.01 -0.28 -2.41 120.40 124.95 2edt s VAL 80 Ca -0.06 1.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.97 2edt s VAL 80 Cb -0.19 -3.87 0.10 0.00 0.00 0.00 0.00 36.38 32.43 2edt s VAL 80 CO -0.06 0.37 0.28 0.00 0.00 0.00 0.00 175.10 175.69 2edt n GLY 82 N 5.34 2.61 0.57 0.00 0.00 -1.26 -1.89 105.19 110.56 2edt n GLY 82 Ca -0.05 0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 7.12 1.48 -4.45 1.61 3.00 -1.26 -5.00 117.38 119.88 2edt n GLN 83 Ca 0.00 -1.55 -0.27 0.00 -0.01 0.00 0.00 57.00 55.17 2edt n GLN 83 Cb 0.00 -1.26 -0.09 0.00 0.00 0.00 0.00 30.24 28.89 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 -1.02 2.07 -0.18 -1.09 0.41 -0.79 -5.14 118.70 112.95 2edt s GLU 84 Ca 0.18 -2.04 -0.29 0.00 -0.41 0.00 0.00 54.97 52.42 2edt s GLU 84 Cb 0.11 -1.75 0.12 0.00 -1.78 0.00 0.00 34.13 30.83 2edt s GLU 84 CO 0.16 -0.10 0.95 -0.98 -0.49 0.00 0.00 175.26 174.80 2edt s ARG 85 N -3.79 0.64 0.25 1.61 1.70 -1.26 -1.51 118.95 116.58 2edt s ARG 85 Ca 0.35 0.31 0.04 0.00 -0.47 0.00 0.00 55.73 55.97 2edt s ARG 85 Cb 0.07 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 2edt s ARG 85 CO 0.19 -0.17 -0.02 -0.08 -1.08 0.00 0.00 175.30 174.14 2edt s THR 86 N -0.71 1.22 0.07 4.99 -1.32 -1.01 -4.98 115.64 113.90 2edt s THR 86 Ca -0.02 -2.06 0.02 0.00 -1.21 0.00 0.00 61.69 58.42 2edt s THR 86 Cb -0.02 -2.38 -0.03 0.00 -1.51 0.00 0.00 72.50 68.56 2edt s THR 86 CO 0.01 -0.31 -0.06 -0.94 -2.21 0.00 0.00 174.62 171.10 2edt s SER 87 N -3.35 0.94 0.29 8.08 1.04 -1.26 -1.08 113.70 118.36 2edt s SER 87 Ca 0.29 -0.82 -0.00 0.00 0.48 0.00 0.00 55.95 55.89 2edt s SER 87 Cb 0.05 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 2edt s SER 87 CO 0.10 -0.38 0.32 0.00 0.98 0.00 0.00 173.24 174.26 2edt s ALA 88 N -2.78 1.09 -0.18 5.32 0.00 0.71 -4.72 121.76 121.21 2edt s ALA 88 Ca 0.03 -1.66 -0.00 0.00 0.00 0.00 0.00 51.96 50.32 2edt s ALA 88 Cb -0.00 1.31 0.04 0.00 0.00 0.00 0.00 23.12 24.47 2edt s ALA 88 CO -0.03 -0.71 -0.05 0.99 0.00 0.00 0.00 175.76 175.96 2edt s THR 89 N -3.58 1.13 0.12 0.00 2.01 -1.26 -1.86 115.64 112.20 2edt s THR 89 Ca 0.35 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 2edt s THR 89 Cb 0.02 -1.33 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 2edt s THR 89 CO 0.19 0.08 0.34 -0.22 -0.69 0.00 0.00 174.62 174.32 2edt s LEU 90 N 1.62 4.29 -0.08 4.42 2.96 -1.06 -1.37 118.68 129.46 2edt s LEU 90 Ca -0.00 0.52 0.03 0.00 -0.22 0.00 0.00 54.13 54.46 2edt s LEU 90 Cb -0.16 -3.21 0.01 0.00 0.50 0.00 0.00 46.19 43.34 2edt s LEU 90 CO -0.08 0.09 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.00 2edt s THR 91 N -1.61 1.36 0.03 3.68 2.01 0.16 -2.83 115.64 118.45 2edt s THR 91 Ca 0.39 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2edt s THR 91 Cb -0.12 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2edt s THR 91 CO 0.25 0.41 0.14 -0.63 -0.69 0.00 0.00 174.62 174.09 2edt s ILE 92 N 0.62 5.02 -0.22 1.82 -1.09 -1.26 0.12 121.20 126.22 2edt s ILE 92 Ca -0.15 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 57.85 2edt s ILE 92 Cb -0.16 -3.38 0.04 0.00 -1.58 0.00 0.00 42.46 37.37 2edt s ILE 92 CO 0.04 0.23 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.70 2edt s ARG 93 N -2.17 2.64 -0.05 2.79 1.81 0.19 -4.87 118.95 119.29 2edt s ARG 93 Ca 0.29 -1.07 -0.37 0.00 -1.72 0.00 0.00 55.73 52.86 2edt s ARG 93 Cb -0.12 -2.72 -0.15 0.00 -0.45 0.00 0.00 34.95 31.51 2edt s ARG 93 CO 0.21 -0.38 1.64 0.00 -0.68 0.00 0.00 175.30 176.09 2edt n ALA 94 N 4.53 0.16 -1.51 2.13 0.00 -1.26 -0.40 120.51 124.16 2edt n ALA 94 Ca -0.18 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.30 2edt n ALA 94 Cb 0.46 -2.28 0.06 0.00 0.00 0.00 0.00 19.45 17.70 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 4.56 3.02 0.00 0.00 4.77 -1.26 -4.83 117.00 123.26 2edt n LEU 95 Ca 0.22 0.74 0.07 0.00 -0.03 0.00 0.00 56.01 57.00 2edt n LEU 95 Cb 0.22 -1.35 0.40 0.00 -2.33 0.00 0.00 43.42 40.36 2edt n LEU 95 CO 0.71 -2.20 0.61 -0.81 -1.33 0.00 0.00 177.39 174.37 2edt n PRO 96 N -1.08 0.49 -1.33 3.23 -0.04 -1.26 -4.83 135.00 130.18 2edt n PRO 96 Ca 0.13 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.18 2edt n PRO 96 Cb 0.48 -1.43 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 2edt n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2edt n SER 97 N -0.93 0.35 0.00 3.54 2.88 -1.26 -3.00 113.62 115.20 2edt n SER 97 Ca 0.10 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2edt n SER 97 Cb 0.05 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 2edt n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edt n GLY 98 N 6.16 1.55 3.55 0.46 0.00 -1.26 -5.02 105.19 110.64 2edt n GLY 98 Ca 0.59 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 2.59 -0.48 1.61 0.04 -1.16 -4.92 135.00 132.67 2edt s PRO 99 Ca 0.00 0.25 -0.27 0.00 0.04 0.00 0.00 61.00 61.02 2edt s PRO 99 Cb 0.00 -4.66 -0.03 0.00 0.04 0.00 0.00 34.50 29.85 2edt s PRO 99 CO 0.00 -3.00 1.95 -1.54 0.04 0.00 0.00 177.00 174.45 2edt s SER 100 N 8.11 5.33 -0.29 6.66 1.04 -1.26 -4.89 113.70 128.39 2edt s SER 100 Ca 0.69 0.85 -0.15 0.00 0.48 0.00 0.00 55.95 57.81 2edt s SER 100 Cb -0.10 -2.52 0.15 0.00 0.10 0.00 0.00 66.02 63.64 2edt s SER 100 CO 0.12 -2.23 0.92 -0.44 0.98 0.00 0.00 173.24 172.59 2edt s SER 101 N 8.18 -0.64 0.00 7.02 0.01 -1.26 -5.23 113.70 121.78 2edt s SER 101 Ca 0.78 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.99 2edt s SER 101 Cb -0.17 1.51 0.00 0.00 0.21 0.00 0.00 66.02 67.57 2edt s SER 101 CO 0.26 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.38