#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 0.47 -3.32 1.61 0.02 -2.10 -3.41 113.55 106.82 2edt h SER 2 Ca 0.00 -0.20 -0.66 0.00 -0.84 0.00 0.00 61.79 60.09 2edt h SER 2 Cb 0.00 -0.12 -0.29 0.00 0.14 0.00 0.00 62.40 62.12 2edt h SER 2 CO 0.00 0.54 -0.76 -0.55 -1.14 0.00 0.00 176.83 174.92 2edt s SER 3 N -5.82 4.01 0.00 3.07 0.15 -1.26 -4.97 113.70 108.89 2edt s SER 3 Ca -0.13 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.07 2edt s SER 3 Cb 0.09 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 2edt s SER 3 CO 0.74 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.79 2edt n GLY 4 N 4.69 -0.37 3.55 9.45 0.00 -1.26 -5.06 105.19 116.18 2edt n GLY 4 Ca -0.19 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.00 5.17 0.05 1.61 0.01 -1.26 -4.94 113.70 110.33 2edt s SER 5 Ca 0.00 0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.63 2edt s SER 5 Cb 0.00 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2edt s SER 5 CO 0.00 -2.47 -0.17 -0.55 0.41 0.00 0.00 173.24 170.47 2edt s SER 6 N 8.47 1.98 0.00 2.44 0.15 -1.26 -5.09 113.70 120.39 2edt s SER 6 Ca 0.70 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.85 2edt s SER 6 Cb -0.12 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2edt s SER 6 CO 0.19 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2edt n GLY 7 N 1.81 0.75 3.59 9.45 0.00 -1.26 -5.10 105.19 114.43 2edt n GLY 7 Ca -0.18 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.15 -1.29 0.09 1.61 0.04 -1.26 -5.05 135.00 128.00 2edt s PRO 8 Ca 0.00 -0.09 -0.02 0.00 0.04 0.00 0.00 61.00 60.93 2edt s PRO 8 Cb 0.00 -1.59 -0.05 0.00 0.04 0.00 0.00 34.50 32.90 2edt s PRO 8 CO 0.00 -3.75 0.28 0.00 0.04 0.00 0.00 177.00 173.56 2edt s ALA 9 N -3.01 3.92 0.03 8.56 0.00 -1.26 -4.84 121.76 125.16 2edt s ALA 9 Ca 0.71 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.96 2edt s ALA 9 Cb -0.09 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 2edt s ALA 9 CO 0.56 0.76 -0.09 0.15 0.00 0.00 0.00 175.76 177.15 2edt s LYS 10 N -2.58 0.58 -0.39 0.00 -0.14 -1.26 -4.61 119.74 111.35 2edt s LYS 10 Ca 0.37 -0.65 -0.28 0.00 -1.36 0.00 0.00 55.97 54.06 2edt s LYS 10 Cb -0.13 -0.45 0.02 0.00 -1.68 0.00 0.00 37.83 35.60 2edt s LYS 10 CO 0.27 0.10 1.04 -0.06 -0.76 0.00 0.00 175.35 175.93 2edt s PHE 11 N -1.03 3.02 -0.01 3.18 0.08 -1.26 -0.42 117.98 121.55 2edt s PHE 11 Ca -0.05 0.89 -0.17 0.00 0.12 0.00 0.00 56.93 57.71 2edt s PHE 11 Cb -0.08 -3.89 -0.33 0.00 -0.57 0.00 0.00 43.02 38.14 2edt s PHE 11 CO 0.01 -0.94 0.90 1.79 -0.10 0.00 0.00 175.22 176.87 2edt h THR 12 N 5.91 1.29 0.00 0.64 1.35 -1.90 -3.39 112.91 116.81 2edt h THR 12 Ca -0.22 -2.61 -0.04 0.00 -0.55 0.00 0.00 66.41 62.99 2edt h THR 12 Cb 1.07 3.04 -0.01 0.00 -1.73 0.00 0.00 68.15 70.51 2edt h THR 12 CO 1.04 0.78 -1.38 -0.62 -0.25 0.00 0.00 175.52 175.09 2edt n GLU 13 N -3.84 1.08 -1.38 4.72 1.02 -1.26 -5.06 120.64 115.92 2edt n GLU 13 Ca -0.18 -0.05 0.17 0.00 -0.02 0.00 0.00 57.16 57.09 2edt n GLU 13 Cb 1.01 -1.18 -0.06 0.00 -0.02 0.00 0.00 31.44 31.19 2edt n GLU 13 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2edt n GLY 14 N 2.24 -2.38 3.13 0.62 0.00 -1.26 -4.87 105.19 102.67 2edt n GLY 14 Ca -0.05 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 2edt n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2edt n LEU 15 N -4.12 0.00 -3.56 0.99 4.77 -1.26 -4.78 117.00 109.04 2edt n LEU 15 Ca -0.03 -0.95 -0.01 0.00 -0.03 0.00 0.00 56.01 54.98 2edt n LEU 15 Cb 0.67 -0.94 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 2edt n LEU 15 CO 0.03 -2.45 0.44 0.00 -1.33 0.00 0.00 177.39 174.07 2edt s ARG 16 N -5.14 0.47 0.45 3.23 1.70 -1.26 -4.99 118.95 113.41 2edt s ARG 16 Ca 0.65 1.10 -0.21 0.00 -0.47 0.00 0.00 55.73 56.79 2edt s ARG 16 Cb -0.09 0.56 -0.13 0.00 -0.57 0.00 0.00 34.95 34.72 2edt s ARG 16 CO 0.52 -0.15 0.39 0.09 -1.08 0.00 0.00 175.30 175.07 2edt n ASN 17 N 4.97 -1.56 -3.63 -2.89 4.13 -1.26 -4.79 115.26 110.23 2edt n ASN 17 Ca -0.13 0.84 -0.09 0.00 1.68 0.00 0.00 54.58 56.88 2edt n ASN 17 Cb 0.52 -1.05 -0.03 0.00 -1.54 0.00 0.00 39.78 37.68 2edt n ASN 17 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2edt s GLU 18 N -1.49 1.80 0.42 3.52 -1.05 -0.84 -4.92 118.70 116.14 2edt s GLU 18 Ca 0.63 -1.31 0.07 0.00 -0.15 0.00 0.00 54.97 54.21 2edt s GLU 18 Cb -0.57 0.53 -0.06 0.00 -0.44 0.00 0.00 34.13 33.59 2edt s GLU 18 CO 0.59 -0.79 0.11 -1.21 0.95 0.00 0.00 175.26 174.91 2edt s GLU 19 N -3.50 2.13 0.20 -4.83 2.02 -1.26 -0.44 118.70 113.01 2edt s GLU 19 Ca 0.20 -1.98 -0.15 0.00 0.02 0.00 0.00 54.97 53.05 2edt s GLU 19 Cb -0.03 -1.83 0.06 0.00 0.10 0.00 0.00 34.13 32.43 2edt s GLU 19 CO 0.11 -0.12 0.76 0.00 0.02 0.00 0.00 175.26 176.03 2edt n ALA 20 N -1.16 -1.91 -2.51 5.21 0.00 0.29 -4.79 120.51 115.64 2edt n ALA 20 Ca -0.04 -0.88 -0.24 0.00 0.00 0.00 0.00 53.44 52.28 2edt n ALA 20 Cb 0.66 0.57 -0.15 0.00 0.00 0.00 0.00 19.45 20.53 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 -2.20 1.42 0.17 0.00 1.01 -1.26 0.10 120.40 119.64 2edt s VAL 21 Ca 0.16 -0.91 -0.33 0.00 0.00 0.00 0.00 61.98 60.90 2edt s VAL 21 Cb -0.03 -1.21 -0.16 0.00 0.00 0.00 0.00 36.38 34.98 2edt s VAL 21 CO 0.06 0.28 1.20 -0.62 0.00 0.00 0.00 175.10 176.02 2edt n GLU 22 N 2.31 1.24 0.00 2.72 1.02 -0.23 -0.01 120.64 127.69 2edt n GLU 22 Ca -0.16 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 2edt n GLU 22 Cb 0.54 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 2.06 2.98 2.85 0.62 0.00 -0.17 -4.66 105.19 108.87 2edt n GLY 23 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.35 -2.07 -3.97 4.61 0.00 0.99 -4.30 120.51 115.42 2edt n ALA 24 Ca 0.00 -1.31 -0.31 0.00 0.00 0.00 0.00 53.44 51.82 2edt n ALA 24 Cb 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.85 2.18 0.95 0.00 2.01 -1.26 -2.64 115.64 114.03 2edt s THR 25 Ca 0.57 -2.43 -0.13 0.00 0.31 0.00 0.00 61.69 60.01 2edt s THR 25 Cb -0.04 -2.60 0.01 0.00 0.01 0.00 0.00 72.50 69.88 2edt s THR 25 CO 0.42 -0.65 0.25 0.00 -0.69 0.00 0.00 174.62 173.95 2edt n ALA 26 N 4.10 -2.97 -3.74 7.40 0.00 -1.26 -4.79 120.51 119.25 2edt n ALA 26 Ca 0.04 -0.61 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 2edt n ALA 26 Cb 0.40 -1.71 -0.16 0.00 0.00 0.00 0.00 19.45 17.98 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 -3.40 0.73 -0.11 0.00 1.75 -1.26 -3.91 119.30 113.10 2edt s MET 27 Ca 0.55 -0.73 0.03 0.00 -1.25 0.00 0.00 55.69 54.29 2edt s MET 27 Cb -0.21 -2.04 0.01 0.00 2.84 0.00 0.00 34.83 35.42 2edt s MET 27 CO 0.69 -0.80 -0.22 -0.51 -0.65 0.00 0.00 175.02 173.54 2edt s LEU 28 N 1.74 2.02 0.12 4.11 1.43 -1.06 -5.01 118.68 122.04 2edt s LEU 28 Ca 0.03 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2edt s LEU 28 Cb -0.17 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2edt s LEU 28 CO -0.16 0.11 -0.04 -1.66 0.23 0.00 0.00 176.35 174.83 2edt s TRP 29 N 0.57 0.97 -0.28 0.29 1.48 -1.26 -0.56 118.94 120.15 2edt s TRP 29 Ca -0.14 -0.98 -0.20 0.00 -1.06 0.00 0.00 56.10 53.73 2edt s TRP 29 Cb -0.17 -0.56 0.09 0.00 -1.16 0.00 0.00 33.47 31.67 2edt s TRP 29 CO 0.04 -0.20 0.75 0.00 -4.06 0.00 0.00 176.95 173.48 2edt s GLU 31 N 1.10 3.51 0.00 0.00 2.02 -1.26 -1.82 118.70 122.26 2edt s GLU 31 Ca -0.06 0.01 -0.00 0.00 0.02 0.00 0.00 54.97 54.94 2edt s GLU 31 Cb -0.05 -2.47 -0.00 0.00 0.10 0.00 0.00 34.13 31.70 2edt s GLU 31 CO -0.12 -0.09 -0.00 -0.51 0.02 0.00 0.00 175.26 174.56 2edt s LEU 32 N -4.60 2.04 0.64 1.80 1.43 0.12 -3.28 118.68 116.84 2edt s LEU 32 Ca 0.45 -0.11 0.24 0.00 -1.03 0.00 0.00 54.13 53.68 2edt s LEU 32 Cb -0.10 0.04 1.22 0.00 0.03 0.00 0.00 46.19 47.39 2edt s LEU 32 CO 0.42 -0.07 1.69 -1.28 0.23 0.00 0.00 176.35 177.33 2edt h SER 33 N 5.78 0.00 -4.99 2.29 0.87 -1.05 -3.42 113.55 113.03 2edt h SER 33 Ca -0.26 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 2edt h SER 33 Cb 1.21 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.03 2edt h SER 33 CO 0.48 0.00 0.21 -1.59 -0.53 0.00 0.00 176.83 175.40 2edt s LYS 34 N -4.22 1.22 -0.06 2.24 0.00 -1.26 -4.96 119.74 112.70 2edt s LYS 34 Ca -0.03 -0.30 -0.30 0.00 0.00 0.00 0.00 55.97 55.35 2edt s LYS 34 Cb 0.09 0.57 -0.05 0.00 0.00 0.00 0.00 37.83 38.44 2edt s LYS 34 CO 0.30 -0.50 1.56 0.08 0.00 0.00 0.00 175.35 176.78 2edt s VAL 35 N -3.14 3.70 0.07 1.79 1.01 -1.26 -4.85 120.40 117.73 2edt s VAL 35 Ca -0.02 0.89 -0.15 0.00 0.00 0.00 0.00 61.98 62.70 2edt s VAL 35 Cb -0.01 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.83 2edt s VAL 35 CO -0.08 -0.07 0.35 0.00 0.00 0.00 0.00 175.10 175.31 2edt s ALA 36 N 3.72 -0.80 -0.05 5.51 0.00 -1.26 -5.05 121.76 123.83 2edt s ALA 36 Ca 0.69 0.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 2edt s ALA 36 Cb -0.31 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 2edt s ALA 36 CO 0.27 -0.51 1.49 -1.25 0.00 0.00 0.00 175.76 175.76 2edt s PRO 37 N -3.08 4.23 0.36 0.00 0.04 -1.26 -5.02 135.00 130.27 2edt s PRO 37 Ca -0.01 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.12 2edt s PRO 37 Cb 0.01 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2edt s PRO 37 CO -0.07 -0.71 0.23 0.14 0.04 0.00 0.00 177.00 176.62 2edt s VAL 38 N 3.25 2.96 -0.22 -0.36 -7.23 -1.26 -4.42 120.40 113.12 2edt s VAL 38 Ca 0.66 -1.55 -0.04 0.00 -1.81 0.00 0.00 61.98 59.24 2edt s VAL 38 Cb -0.31 -3.03 0.10 0.00 0.56 0.00 0.00 36.38 33.70 2edt s VAL 38 CO 0.26 -0.12 0.20 -1.61 -0.31 0.00 0.00 175.10 173.52 2edt s GLU 39 N -3.94 0.19 0.23 4.82 0.41 0.91 -4.97 118.70 116.35 2edt s GLU 39 Ca 0.41 0.01 -0.30 0.00 -0.41 0.00 0.00 54.97 54.68 2edt s GLU 39 Cb -0.02 -1.22 -0.09 0.00 -1.78 0.00 0.00 34.13 31.02 2edt s GLU 39 CO 0.24 -0.76 1.04 -1.58 -0.49 0.00 0.00 175.26 173.71 2edt s TRP 40 N 2.27 3.73 0.04 1.61 0.52 -1.26 -1.91 118.94 123.94 2edt s TRP 40 Ca 0.07 1.75 -0.04 0.00 0.02 0.00 0.00 56.10 57.90 2edt s TRP 40 Cb -0.16 -3.17 -0.02 0.00 -1.15 0.00 0.00 33.47 28.98 2edt s TRP 40 CO -0.18 -0.19 0.05 1.03 0.02 0.00 0.00 176.95 177.68 2edt s ARG 41 N -0.97 0.53 -0.45 4.98 0.52 0.33 -2.14 118.95 121.76 2edt s ARG 41 Ca 0.45 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 2edt s ARG 41 Cb -0.29 0.20 0.14 0.00 0.52 0.00 0.00 34.95 35.53 2edt s ARG 41 CO 0.36 -0.12 0.27 0.21 0.02 0.00 0.00 175.30 176.04 2edt s LYS 42 N -2.56 1.23 2.46 3.54 2.20 -1.17 -0.26 119.74 125.18 2edt s LYS 42 Ca -0.05 -2.04 0.00 0.00 -0.36 0.00 0.00 55.97 53.52 2edt s LYS 42 Cb -0.02 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 2edt s LYS 42 CO -0.05 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.14 2edt n GLY 43 N 3.39 2.55 0.24 5.54 0.00 -1.26 0.74 105.19 116.39 2edt n GLY 43 Ca 0.13 0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.61 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 -7.35 1.61 0.13 -1.98 -3.44 132.00 120.97 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 0.09 0.00 0.13 0.00 0.00 31.00 31.22 2edt h PRO 44 CO 0.00 0.16 0.24 -1.21 -0.23 0.00 0.00 178.00 176.96 2edt s GLU 45 N -3.77 1.83 -0.03 0.86 2.02 0.23 -5.11 118.70 114.73 2edt s GLU 45 Ca -0.00 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 54.57 2edt s GLU 45 Cb 0.11 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 32.20 2edt s GLU 45 CO 0.61 -1.48 -0.06 0.54 0.02 0.00 0.00 175.26 174.88 2edt s ASN 46 N -4.62 0.96 0.06 -0.19 6.03 -1.26 -3.04 114.94 112.88 2edt s ASN 46 Ca 0.64 -0.14 0.08 0.00 -1.03 0.00 0.00 52.86 52.40 2edt s ASN 46 Cb -0.09 -0.31 -0.03 0.00 -3.03 0.00 0.00 41.25 37.79 2edt s ASN 46 CO 0.46 0.02 -0.20 -0.76 -2.03 0.00 0.00 177.10 174.59 2edt s LEU 47 N 0.38 2.54 -0.16 3.54 1.43 -0.91 -4.88 118.68 120.62 2edt s LEU 47 Ca -0.05 -0.50 -0.32 0.00 -1.03 0.00 0.00 54.13 52.23 2edt s LEU 47 Cb -0.09 -1.47 0.14 0.00 0.03 0.00 0.00 46.19 44.80 2edt s LEU 47 CO 0.00 0.24 1.11 0.00 0.23 0.00 0.00 176.35 177.93 2edt s ARG 48 N -1.58 0.45 0.06 1.70 3.03 -1.26 -4.05 118.95 117.29 2edt s ARG 48 Ca 0.15 -0.06 -0.31 0.00 2.03 0.00 0.00 55.73 57.54 2edt s ARG 48 Cb -0.10 0.21 -0.10 0.00 -1.03 0.00 0.00 34.95 33.93 2edt s ARG 48 CO 0.06 -0.17 1.93 -3.47 -1.13 0.00 0.00 175.30 172.51 2edt n ASP 49 N 0.20 4.09 0.00 -2.89 2.03 -1.26 -4.59 116.55 114.13 2edt n ASP 49 Ca -0.04 0.93 0.00 0.00 0.52 0.00 0.00 54.79 56.20 2edt n ASP 49 Cb 0.59 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 2edt n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2edt n GLY 50 N 4.45 1.64 0.58 0.27 0.00 -0.79 -5.00 105.19 106.34 2edt n GLY 50 Ca 0.20 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.50 2edt n GLY 50 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2edt n ASP 51 N 0.00 0.89 0.26 1.61 5.75 -1.26 -4.69 116.55 119.11 2edt n ASP 51 Ca 0.00 0.13 0.15 0.00 -0.01 0.00 0.00 54.79 55.06 2edt n ASP 51 Cb 0.00 -0.41 0.66 0.00 -1.03 0.00 0.00 41.12 40.35 2edt n ASP 51 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2edt h ARG 52 N -0.27 0.00 -4.51 0.11 0.11 -1.93 -3.38 114.38 104.50 2edt h ARG 52 Ca 0.00 0.00 -0.70 0.00 0.10 0.00 0.00 59.98 59.38 2edt h ARG 52 Cb 0.27 0.00 -0.32 0.00 1.11 0.00 0.00 29.97 31.03 2edt h ARG 52 CO 0.00 0.08 -0.54 0.71 0.10 0.00 0.00 179.97 180.32 2edt s TYR 53 N -3.77 3.47 -0.69 4.08 2.02 -1.26 -2.88 117.35 118.32 2edt s TYR 53 Ca 0.00 -2.10 -0.24 0.00 -0.37 0.00 0.00 57.07 54.36 2edt s TYR 53 Cb 0.10 -3.02 0.06 0.00 -0.40 0.00 0.00 41.96 38.70 2edt s TYR 53 CO 0.57 -0.92 1.08 0.42 -1.57 0.00 0.00 175.55 175.12 2edt s ILE 54 N 1.24 4.11 -0.09 2.71 1.01 -0.81 -1.89 121.20 127.47 2edt s ILE 54 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.59 2edt s ILE 54 Cb -0.23 -4.77 -0.03 0.00 0.01 0.00 0.00 42.46 37.44 2edt s ILE 54 CO -0.02 -1.60 0.00 -0.76 0.00 0.00 0.00 174.94 172.56 2edt s LEU 55 N 4.66 3.58 0.06 2.97 2.01 -1.26 -0.94 118.68 129.76 2edt s LEU 55 Ca 0.27 0.13 0.00 0.00 0.01 0.00 0.00 54.13 54.54 2edt s LEU 55 Cb -0.14 -1.82 -0.04 0.00 0.01 0.00 0.00 46.19 44.20 2edt s LEU 55 CO 0.12 0.36 -0.04 -0.13 1.01 0.00 0.00 176.35 177.66 2edt s ARG 56 N -0.78 0.64 -0.27 1.70 0.52 -0.51 -4.94 118.95 115.32 2edt s ARG 56 Ca 0.12 -1.16 -0.00 0.00 -0.52 0.00 0.00 55.73 54.17 2edt s ARG 56 Cb -0.12 0.03 0.15 0.00 0.52 0.00 0.00 34.95 35.54 2edt s ARG 56 CO 0.02 -0.06 0.40 -1.14 0.02 0.00 0.00 175.30 174.54 2edt s GLN 57 N -3.47 0.39 -0.48 3.54 0.74 -1.26 -1.39 119.66 117.72 2edt s GLN 57 Ca 0.05 0.35 0.04 0.00 0.05 0.00 0.00 55.36 55.84 2edt s GLN 57 Cb 0.04 -0.35 0.13 0.00 1.10 0.00 0.00 33.01 33.93 2edt s GLN 57 CO -0.07 -0.84 0.23 -1.21 -0.55 0.00 0.00 175.29 172.85 2edt s GLU 58 N 2.56 1.82 1.67 1.67 2.02 -1.11 -5.02 118.70 122.31 2edt s GLU 58 Ca 0.12 -2.44 0.00 0.00 0.02 0.00 0.00 54.97 52.67 2edt s GLU 58 Cb -0.14 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.91 2edt s GLU 58 CO -0.23 -1.09 0.00 0.41 0.02 0.00 0.00 175.26 174.37 2edt n GLY 59 N 3.33 0.66 1.27 -1.39 0.00 -1.26 -4.02 105.19 103.78 2edt n GLY 59 Ca 0.05 -1.36 -0.05 0.00 0.00 0.00 0.00 46.02 44.67 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 1.49 -4.19 2.61 -2.24 -1.26 -4.49 114.28 106.19 2edt n THR 60 Ca 0.00 -0.60 -0.16 0.00 -2.27 0.00 0.00 64.05 61.02 2edt n THR 60 Cb 0.00 -0.69 -0.13 0.00 -2.10 0.00 0.00 70.33 67.41 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 -1.28 0.68 -0.13 -0.78 3.52 -1.26 0.16 118.95 119.87 2edt s ARG 61 Ca 0.19 -0.67 -0.01 0.00 -0.13 0.00 0.00 55.73 55.11 2edt s ARG 61 Cb 0.16 -0.59 0.03 0.00 -1.56 0.00 0.00 34.95 32.99 2edt s ARG 61 CO 0.04 0.14 -0.06 0.00 -0.81 0.00 0.00 175.30 174.61 2edt s GLU 63 N 1.73 3.41 -0.03 0.00 2.02 -0.48 -2.50 118.70 122.84 2edt s GLU 63 Ca 0.04 -0.28 0.02 0.00 0.02 0.00 0.00 54.97 54.77 2edt s GLU 63 Cb -0.13 -3.10 0.01 0.00 0.10 0.00 0.00 34.13 31.00 2edt s GLU 63 CO -0.08 0.70 -0.07 -1.17 0.02 0.00 0.00 175.26 174.67 2edt s LEU 64 N -1.65 1.60 -0.05 1.80 2.96 0.27 -1.43 118.68 122.19 2edt s LEU 64 Ca 0.23 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 2edt s LEU 64 Cb -0.12 -0.47 0.00 0.00 0.50 0.00 0.00 46.19 46.09 2edt s LEU 64 CO 0.14 0.01 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.92 2edt s GLN 65 N 0.50 1.75 -0.53 1.98 -0.21 -0.12 -2.56 119.66 120.47 2edt s GLN 65 Ca -0.07 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 54.76 2edt s GLN 65 Cb -0.11 -1.50 0.14 0.00 1.00 0.00 0.00 33.01 32.54 2edt s GLN 65 CO 0.00 0.18 0.30 0.42 -2.12 0.00 0.00 175.29 174.08 2edt s ILE 66 N 0.20 3.13 -0.42 1.08 1.01 -1.25 -1.93 121.20 123.01 2edt s ILE 66 Ca -0.07 -2.88 -0.28 0.00 0.00 0.00 0.00 60.65 57.42 2edt s ILE 66 Cb -0.12 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.23 2edt s ILE 66 CO 0.03 -0.79 1.56 0.00 0.00 0.00 0.00 174.94 175.73 2edt n GLY 68 N 5.25 0.61 3.77 0.00 0.00 -1.23 -4.92 105.19 108.68 2edt n GLY 68 Ca 0.18 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 3.45 -0.02 0.99 1.43 -1.08 -4.79 118.68 118.65 2edt s LEU 69 Ca 0.00 2.00 -0.29 0.00 -1.03 0.00 0.00 54.13 54.82 2edt s LEU 69 Cb 0.00 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.76 2edt s LEU 69 CO 0.00 -1.53 0.80 0.00 0.23 0.00 0.00 176.35 175.84 2edt s ALA 70 N -2.28 -1.79 0.37 4.21 0.00 -1.26 -1.00 121.76 120.01 2edt s ALA 70 Ca 0.67 1.13 0.31 0.00 0.00 0.00 0.00 51.96 54.07 2edt s ALA 70 Cb -0.20 0.12 1.21 0.00 0.00 0.00 0.00 23.12 24.25 2edt s ALA 70 CO 0.39 -0.52 1.18 -1.33 0.00 0.00 0.00 175.76 175.48 2edt n MET 71 N 0.29 -0.02 0.21 0.00 2.81 -1.26 0.11 117.12 119.26 2edt n MET 71 Ca -0.14 0.89 -0.13 0.00 -1.81 0.00 0.00 57.70 56.52 2edt n MET 71 Cb 0.60 -1.88 -0.07 0.00 -0.71 0.00 0.00 33.22 31.15 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 1.01 -0.56 -0.83 3.04 0.00 -1.99 -3.13 119.26 116.81 2edt h ALA 72 Ca 0.69 -0.19 0.32 0.00 0.00 0.00 0.00 54.91 55.73 2edt h ALA 72 Cb 2.47 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 20.32 2edt h ALA 72 CO -0.20 -0.64 0.34 -0.25 0.00 0.00 0.00 179.25 178.49 2edt n ASP 73 N -5.20 0.19 -4.58 0.00 8.00 0.30 -4.10 116.55 111.16 2edt n ASP 73 Ca -0.10 1.38 -0.41 0.00 0.71 0.00 0.00 54.79 56.37 2edt n ASP 73 Cb 0.29 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 2edt n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2edt n ALA 74 N -2.61 1.48 -2.00 2.24 0.00 -1.18 -4.60 120.51 113.84 2edt n ALA 74 Ca 0.28 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2edt n ALA 74 Cb 0.96 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 5.87 0.22 2.87 0.00 0.00 -1.15 -4.96 105.19 108.04 2edt n GLY 75 Ca 0.32 0.49 -0.11 0.00 0.00 0.00 0.00 46.02 46.72 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 1.95 0.31 -0.01 1.61 2.12 -1.26 -3.42 118.70 120.01 2edt s GLU 76 Ca 0.00 0.44 -0.11 0.00 0.36 0.00 0.00 54.97 55.66 2edt s GLU 76 Cb 0.00 -0.65 -0.05 0.00 0.26 0.00 0.00 34.13 33.69 2edt s GLU 76 CO 0.00 -0.66 0.34 0.71 -0.54 0.00 0.00 175.26 175.11 2edt s TYR 77 N 2.49 3.66 -0.05 5.30 1.51 -1.09 -3.98 117.35 125.20 2edt s TYR 77 Ca 0.11 0.81 0.05 0.00 -1.01 0.00 0.00 57.07 57.03 2edt s TYR 77 Cb -0.15 -2.16 -0.01 0.00 -0.11 0.00 0.00 41.96 39.53 2edt s TYR 77 CO -0.16 0.63 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.20 2edt s LEU 78 N -1.32 2.00 -0.31 -1.29 1.02 0.64 -0.42 118.68 118.99 2edt s LEU 78 Ca 0.24 -0.43 -0.03 0.00 0.02 0.00 0.00 54.13 53.94 2edt s LEU 78 Cb -0.15 -1.17 0.05 0.00 0.02 0.00 0.00 46.19 44.94 2edt s LEU 78 CO 0.13 0.21 0.03 0.00 0.02 0.00 0.00 176.35 176.73 2edt s VAL 80 N 1.29 5.07 -0.10 0.00 1.01 -0.80 -2.22 120.40 124.65 2edt s VAL 80 Ca -0.04 1.01 0.15 0.00 0.00 0.00 0.00 61.98 63.10 2edt s VAL 80 Cb -0.20 -3.83 0.23 0.00 0.00 0.00 0.00 36.38 32.59 2edt s VAL 80 CO -0.00 0.41 1.12 0.00 0.00 0.00 0.00 175.10 176.62 2edt n GLY 82 N -1.23 1.92 0.11 0.00 0.00 -1.26 -4.59 105.19 100.13 2edt n GLY 82 Ca 0.13 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 2edt n GLY 82 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2edt h GLN 83 N 0.00 0.12 -6.15 1.61 4.20 -1.97 -3.47 115.11 109.45 2edt h GLN 83 Ca 0.00 -0.21 -0.62 0.00 0.06 0.00 0.00 58.65 57.88 2edt h GLN 83 Cb 0.00 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 27.78 2edt h GLN 83 CO 0.00 0.83 -0.58 -1.21 -0.67 0.00 0.00 178.83 177.20 2edt s GLU 84 N -2.59 2.96 -0.12 1.46 0.41 -1.26 -5.12 118.70 114.44 2edt s GLU 84 Ca -0.12 -0.69 -0.09 0.00 -0.41 0.00 0.00 54.97 53.66 2edt s GLU 84 Cb 0.07 -2.75 0.04 0.00 -1.78 0.00 0.00 34.13 29.71 2edt s GLU 84 CO 0.81 0.55 0.31 -0.98 -0.49 0.00 0.00 175.26 175.46 2edt s ARG 85 N -2.56 0.31 0.33 1.61 1.70 -1.26 -1.71 118.95 117.37 2edt s ARG 85 Ca 0.30 0.53 0.09 0.00 -0.47 0.00 0.00 55.73 56.18 2edt s ARG 85 Cb -0.12 0.04 -0.05 0.00 -0.57 0.00 0.00 34.95 34.25 2edt s ARG 85 CO 0.23 -0.10 -0.02 -0.08 -1.08 0.00 0.00 175.30 174.25 2edt s THR 86 N 0.75 2.65 0.15 4.99 -1.32 -0.94 -4.95 115.64 116.97 2edt s THR 86 Ca -0.05 -2.03 0.01 0.00 -1.21 0.00 0.00 61.69 58.41 2edt s THR 86 Cb -0.06 -2.74 -0.04 0.00 -1.51 0.00 0.00 72.50 68.15 2edt s THR 86 CO -0.05 -0.23 0.01 -0.94 -2.21 0.00 0.00 174.62 171.19 2edt s SER 87 N -3.68 0.95 0.32 8.08 1.04 -1.26 -0.24 113.70 118.91 2edt s SER 87 Ca 0.34 -1.16 -0.01 0.00 0.48 0.00 0.00 55.95 55.59 2edt s SER 87 Cb -0.01 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.28 2edt s SER 87 CO 0.19 -0.60 0.44 0.00 0.98 0.00 0.00 173.24 174.25 2edt n ALA 88 N -0.17 -0.28 -3.79 5.32 0.00 0.43 -4.71 120.51 117.31 2edt n ALA 88 Ca -0.07 -1.49 -0.29 0.00 0.00 0.00 0.00 53.44 51.59 2edt n ALA 88 Cb 0.63 1.20 -0.16 0.00 0.00 0.00 0.00 19.45 21.12 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 0.89 0.16 0.00 2.01 -1.26 -2.66 115.64 111.99 2edt s THR 89 Ca 0.27 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.24 2edt s THR 89 Cb -0.01 -1.41 -0.06 0.00 0.01 0.00 0.00 72.50 71.04 2edt s THR 89 CO 0.19 -0.30 0.42 -0.22 -0.69 0.00 0.00 174.62 174.03 2edt s LEU 90 N 1.67 4.25 -0.03 4.42 2.96 -1.22 -1.99 118.68 128.73 2edt s LEU 90 Ca 0.00 0.70 0.05 0.00 -0.22 0.00 0.00 54.13 54.66 2edt s LEU 90 Cb -0.18 -3.37 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 2edt s LEU 90 CO -0.12 0.03 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.88 2edt s THR 91 N -1.67 1.45 -0.12 3.68 2.01 0.41 -2.92 115.64 118.48 2edt s THR 91 Ca 0.42 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 2edt s THR 91 Cb -0.12 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 2edt s THR 91 CO 0.23 0.41 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.88 2edt s ILE 92 N -0.20 3.70 -0.32 1.82 -1.09 -1.26 0.10 121.20 123.95 2edt s ILE 92 Ca 0.02 -0.44 -0.10 0.00 -2.23 0.00 0.00 60.65 57.90 2edt s ILE 92 Cb -0.09 -2.58 -0.00 0.00 -1.58 0.00 0.00 42.46 38.21 2edt s ILE 92 CO 0.01 0.53 0.16 -0.13 -1.23 0.00 0.00 174.94 174.28 2edt s ARG 93 N 0.00 3.26 -0.16 2.79 1.81 0.28 -4.88 118.95 122.06 2edt s ARG 93 Ca -0.00 -0.77 -0.38 0.00 -1.72 0.00 0.00 55.73 52.85 2edt s ARG 93 Cb -0.14 -3.58 -0.15 0.00 -0.45 0.00 0.00 34.95 30.63 2edt s ARG 93 CO 0.03 -0.45 1.69 0.00 -0.68 0.00 0.00 175.30 175.89 2edt n ALA 94 N 4.98 -0.05 -1.47 2.13 0.00 -1.26 -1.07 120.51 123.78 2edt n ALA 94 Ca -0.14 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 2edt n ALA 94 Cb 0.49 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 5.01 0.11 -4.57 0.00 4.77 -1.26 -4.76 117.00 116.30 2edt n LEU 95 Ca 0.24 0.96 -0.27 0.00 -0.03 0.00 0.00 56.01 56.90 2edt n LEU 95 Cb 0.18 -1.12 -0.05 0.00 -2.33 0.00 0.00 43.42 40.09 2edt n LEU 95 CO 0.75 -2.72 1.39 -2.16 -1.33 0.00 0.00 177.39 173.33 2edt s PRO 96 N -1.54 2.54 -0.17 3.23 0.04 -1.26 -4.87 135.00 132.97 2edt s PRO 96 Ca 0.63 -0.56 -0.09 0.00 0.04 0.00 0.00 61.00 61.02 2edt s PRO 96 Cb -0.64 -5.12 0.06 0.00 0.04 0.00 0.00 34.50 28.85 2edt s PRO 96 CO 0.58 -3.55 0.41 -1.54 0.04 0.00 0.00 177.00 172.94 2edt s SER 97 N 7.56 -0.47 -0.77 6.66 1.04 -1.26 -4.98 113.70 121.48 2edt s SER 97 Ca 0.69 0.90 -0.00 0.00 0.48 0.00 0.00 55.95 58.02 2edt s SER 97 Cb -0.05 0.85 -0.00 0.00 0.10 0.00 0.00 66.02 66.92 2edt s SER 97 CO 0.03 -0.20 0.69 0.61 0.98 0.00 0.00 173.24 175.35 2edt n GLY 98 N 4.43 -1.25 3.56 7.32 0.00 -1.26 -4.82 105.19 113.16 2edt n GLY 98 Ca -0.21 0.50 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.44 2.56 -0.52 1.61 0.04 -1.26 -4.89 135.00 129.10 2edt s PRO 99 Ca 0.01 -0.17 0.04 0.00 0.04 0.00 0.00 61.00 60.92 2edt s PRO 99 Cb -0.00 -4.97 0.13 0.00 0.04 0.00 0.00 34.50 29.70 2edt s PRO 99 CO 0.78 -3.29 0.27 0.45 0.04 0.00 0.00 177.00 175.25 2edt s SER 100 N 8.04 4.22 0.13 6.66 0.15 -1.26 -5.09 113.70 126.55 2edt s SER 100 Ca 0.70 -3.02 -0.30 0.00 0.70 0.00 0.00 55.95 54.03 2edt s SER 100 Cb -0.07 -1.53 -0.07 0.00 -1.71 0.00 0.00 66.02 62.63 2edt s SER 100 CO 0.02 -0.22 1.25 -0.94 1.20 0.00 0.00 173.24 174.55 2edt s SER 101 N -0.28 7.00 0.00 5.45 1.04 -1.26 -5.27 113.70 120.39 2edt s SER 101 Ca 0.18 2.20 0.00 0.00 0.48 0.00 0.00 55.95 58.81 2edt s SER 101 Cb -0.24 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.29 2edt s SER 101 CO -0.01 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.33