#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 0.26 -0.20 1.61 0.01 -1.26 -5.15 113.70 108.97 2edt s SER 2 Ca 0.00 -0.61 -0.03 0.00 1.31 0.00 0.00 55.95 56.62 2edt s SER 2 Cb 0.00 0.18 -0.00 0.00 0.21 0.00 0.00 66.02 66.40 2edt s SER 2 CO 0.00 -0.45 -0.08 -0.44 0.41 0.00 0.00 173.24 172.68 2edt s SER 3 N -2.04 4.07 -0.15 2.44 0.01 -1.26 -5.09 113.70 111.68 2edt s SER 3 Ca -0.06 -0.43 -0.08 0.00 1.31 0.00 0.00 55.95 56.69 2edt s SER 3 Cb -0.02 -1.68 0.06 0.00 0.21 0.00 0.00 66.02 64.58 2edt s SER 3 CO -0.04 0.00 0.35 -0.83 0.41 0.00 0.00 173.24 173.13 2edt s GLY 4 N 1.32 -0.26 -0.27 3.44 0.00 -1.26 -5.15 107.32 105.15 2edt s GLY 4 Ca 0.04 1.34 -0.13 0.00 0.00 0.00 0.00 44.72 45.97 2edt s GLY 4 CO -0.04 1.56 0.63 -0.56 0.00 0.00 0.00 173.10 174.69 2edt s SER 5 N 1.39 -0.90 -0.65 1.64 0.01 -1.26 -5.11 113.70 108.82 2edt s SER 5 Ca -0.09 1.42 -0.20 0.00 1.31 0.00 0.00 55.95 58.39 2edt s SER 5 Cb -0.09 1.50 0.10 0.00 0.21 0.00 0.00 66.02 67.74 2edt s SER 5 CO -0.11 -0.23 0.82 -0.44 0.41 0.00 0.00 173.24 173.68 2edt s SER 6 N 1.92 6.25 0.00 2.44 0.01 -1.26 -4.93 113.70 118.12 2edt s SER 6 Ca -0.09 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 55.74 2edt s SER 6 Cb -0.07 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2edt s SER 6 CO -0.18 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 172.90 2edt n GLY 7 N 5.26 1.44 2.36 3.44 0.00 -1.26 -5.17 105.19 111.26 2edt n GLY 7 Ca -0.04 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 2edt n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edt n PRO 8 N 0.00 -2.47 -3.69 1.61 -0.04 -1.26 -5.03 135.00 124.11 2edt n PRO 8 Ca 0.00 -1.18 -0.36 0.00 -0.04 0.00 0.00 63.50 61.92 2edt n PRO 8 Cb 0.00 -1.11 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 2edt n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2edt s ALA 9 N -3.00 3.71 -0.08 0.55 0.00 -1.26 -4.90 121.76 116.78 2edt s ALA 9 Ca 0.48 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.87 2edt s ALA 9 Cb -0.05 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 2edt s ALA 9 CO 0.37 0.28 -0.09 0.15 0.00 0.00 0.00 175.76 176.47 2edt s LYS 10 N -0.06 2.81 -0.29 0.00 1.02 -1.26 -4.44 119.74 117.52 2edt s LYS 10 Ca 0.13 -0.59 -0.29 0.00 0.02 0.00 0.00 55.97 55.24 2edt s LYS 10 Cb -0.12 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.61 2edt s LYS 10 CO 0.02 0.59 1.46 -0.06 -0.92 0.00 0.00 175.35 176.44 2edt s PHE 11 N -0.61 2.38 -0.05 3.18 0.08 -1.26 -0.10 117.98 121.60 2edt s PHE 11 Ca 0.09 0.70 -0.10 0.00 0.12 0.00 0.00 56.93 57.75 2edt s PHE 11 Cb -0.12 -4.00 -0.30 0.00 -0.57 0.00 0.00 43.02 38.03 2edt s PHE 11 CO 0.02 -2.28 0.66 1.79 -0.10 0.00 0.00 175.22 175.31 2edt h THR 12 N 6.14 0.93 0.00 0.64 1.35 -1.85 -3.42 112.91 116.71 2edt h THR 12 Ca -0.30 -2.53 -0.22 0.00 -0.55 0.00 0.00 66.41 62.82 2edt h THR 12 Cb 1.12 2.75 -0.04 0.00 -1.73 0.00 0.00 68.15 70.25 2edt h THR 12 CO 1.03 0.86 -1.82 -0.62 -0.25 0.00 0.00 175.52 174.71 2edt n GLU 13 N -3.57 0.35 -0.29 4.72 -0.58 -1.26 -5.05 120.64 114.96 2edt n GLU 13 Ca -0.24 0.09 0.04 0.00 -0.42 0.00 0.00 57.16 56.62 2edt n GLU 13 Cb 1.07 -1.26 -0.01 0.00 -0.57 0.00 0.00 31.44 30.67 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 2.74 -1.90 3.61 0.62 0.00 -1.26 -4.94 105.19 104.06 2edt n GLY 14 Ca -0.26 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 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 -4.81 1.09 -0.21 0.99 1.43 -1.26 -4.66 118.68 111.25 2edt s LEU 15 Ca 0.00 1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 54.08 2edt s LEU 15 Cb 0.00 -3.02 0.10 0.00 0.03 0.00 0.00 46.19 43.30 2edt s LEU 15 CO 0.00 -3.67 0.42 0.00 0.23 0.00 0.00 176.35 173.34 2edt s ARG 16 N -5.03 0.34 0.28 1.70 1.70 -1.26 -4.99 118.95 111.69 2edt s ARG 16 Ca 0.67 0.97 -0.28 0.00 -0.47 0.00 0.00 55.73 56.63 2edt s ARG 16 Cb -0.17 0.24 -0.14 0.00 -0.57 0.00 0.00 34.95 34.30 2edt s ARG 16 CO 0.58 -0.32 0.95 0.09 -1.08 0.00 0.00 175.30 175.52 2edt n ASN 17 N 5.39 0.99 -2.91 -2.89 4.13 -1.26 -4.84 115.26 113.87 2edt n ASN 17 Ca -0.08 1.17 -0.14 0.00 1.68 0.00 0.00 54.58 57.22 2edt n ASN 17 Cb 0.50 -1.25 -0.03 0.00 -1.54 0.00 0.00 39.78 37.46 2edt n ASN 17 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2edt n GLU 18 N 0.75 0.68 -4.28 3.52 0.28 -0.90 -4.95 120.64 115.74 2edt n GLU 18 Ca 0.11 -2.67 -0.15 0.00 -0.16 0.00 0.00 57.16 54.28 2edt n GLU 18 Cb 0.31 2.58 -0.10 0.00 1.43 0.00 0.00 31.44 35.66 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 -2.76 1.31 0.20 3.44 4.04 -1.26 -0.12 118.70 123.56 2edt s GLU 19 Ca 0.28 -1.69 -0.23 0.00 0.04 0.00 0.00 54.97 53.37 2edt s GLU 19 Cb -0.01 -0.17 0.06 0.00 0.02 0.00 0.00 34.13 34.03 2edt s GLU 19 CO 0.20 -0.28 0.95 0.00 -1.84 0.00 0.00 175.26 174.29 2edt s ALA 20 N -3.80 -1.49 0.05 -0.84 0.00 0.19 -4.85 121.76 111.02 2edt s ALA 20 Ca 0.35 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.15 2edt s ALA 20 Cb 0.07 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2edt s ALA 20 CO 0.11 -1.04 0.16 0.08 0.00 0.00 0.00 175.76 175.07 2edt s VAL 21 N -2.86 5.09 0.29 0.00 1.01 -1.26 0.34 120.40 123.01 2edt s VAL 21 Ca 0.16 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 2edt s VAL 21 Cb -0.03 -3.45 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 2edt s VAL 21 CO 0.05 0.17 1.41 -0.62 0.00 0.00 0.00 175.10 176.10 2edt n GLU 22 N 0.47 2.24 0.00 2.72 1.02 -0.10 -1.33 120.64 125.65 2edt n GLU 22 Ca -0.07 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 2edt n GLU 22 Cb 0.51 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 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 1.58 3.02 3.77 0.62 0.00 0.11 -4.66 105.19 109.62 2edt n GLY 23 Ca 0.08 0.00 -0.30 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 s ALA 24 N -1.50 1.45 -0.31 4.61 0.00 -0.44 -3.81 121.76 121.75 2edt s ALA 24 Ca 0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 2edt s ALA 24 Cb 0.00 -2.84 0.03 0.00 0.00 0.00 0.00 23.12 20.32 2edt s ALA 24 CO 0.00 -2.98 0.06 0.99 0.00 0.00 0.00 175.76 173.82 2edt s THR 25 N -3.45 3.52 1.34 0.00 2.01 -1.26 -0.76 115.64 117.04 2edt s THR 25 Ca 0.72 -1.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.41 2edt s THR 25 Cb -0.07 -2.94 0.33 0.00 0.01 0.00 0.00 72.50 69.82 2edt s THR 25 CO 0.54 -0.07 0.75 0.00 -0.69 0.00 0.00 174.62 175.16 2edt n ALA 26 N 4.76 -3.94 -3.31 7.40 0.00 -1.25 -4.82 120.51 119.35 2edt n ALA 26 Ca -0.13 -1.67 -0.07 0.00 0.00 0.00 0.00 53.44 51.56 2edt n ALA 26 Cb 0.45 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 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 -4.61 0.40 -0.21 0.00 1.75 -1.26 -4.09 119.30 111.28 2edt s MET 27 Ca 0.60 0.45 0.01 0.00 -1.25 0.00 0.00 55.69 55.50 2edt s MET 27 Cb -0.12 -0.28 0.05 0.00 2.84 0.00 0.00 34.83 37.31 2edt s MET 27 CO 0.52 -0.78 -0.10 -0.51 -0.65 0.00 0.00 175.02 173.50 2edt s LEU 28 N 2.59 2.39 0.26 4.11 1.43 -0.54 -4.97 118.68 123.95 2edt s LEU 28 Ca 0.13 -0.95 0.10 0.00 -1.03 0.00 0.00 54.13 52.38 2edt s LEU 28 Cb -0.14 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 2edt s LEU 28 CO -0.22 -0.16 -0.17 -1.66 0.23 0.00 0.00 176.35 174.38 2edt s TRP 29 N 1.38 2.13 -0.03 0.29 1.48 -1.26 0.03 118.94 122.95 2edt s TRP 29 Ca -0.02 -0.42 -0.25 0.00 -1.06 0.00 0.00 56.10 54.34 2edt s TRP 29 Cb -0.17 -0.97 0.05 0.00 -1.16 0.00 0.00 33.47 31.22 2edt s TRP 29 CO -0.08 0.59 0.54 0.00 -4.06 0.00 0.00 176.95 173.95 2edt s GLU 31 N -1.29 2.73 0.06 0.00 2.02 -1.26 -0.28 118.70 120.68 2edt s GLU 31 Ca -0.12 -1.20 -0.04 0.00 0.02 0.00 0.00 54.97 53.64 2edt s GLU 31 Cb -0.02 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 2edt s GLU 31 CO 0.07 0.34 0.06 -0.51 0.02 0.00 0.00 175.26 175.24 2edt s LEU 32 N -3.82 2.04 0.10 1.80 1.43 0.77 -3.10 118.68 117.89 2edt s LEU 32 Ca 0.34 -0.84 0.10 0.00 -1.03 0.00 0.00 54.13 52.69 2edt s LEU 32 Cb -0.07 0.55 0.48 0.00 0.03 0.00 0.00 46.19 47.18 2edt s LEU 32 CO 0.24 -0.65 1.30 -0.24 0.23 0.00 0.00 176.35 177.23 2edt n SER 33 N 0.07 0.19 -3.65 2.29 2.88 0.86 -4.74 113.62 111.52 2edt n SER 33 Ca -0.15 0.58 -0.07 0.00 -1.33 0.00 0.00 58.87 57.90 2edt n SER 33 Cb 0.61 -0.61 -0.02 0.00 -0.75 0.00 0.00 64.21 63.45 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 -3.16 1.24 -0.64 -1.46 -2.85 -1.26 -4.95 119.74 106.66 2edt s LYS 34 Ca 0.01 -0.60 -0.27 0.00 -1.00 0.00 0.00 55.97 54.10 2edt s LYS 34 Cb 0.04 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 36.31 2edt s LYS 34 CO 0.13 -0.56 1.39 0.08 0.10 0.00 0.00 175.35 176.48 2edt s VAL 35 N -3.47 3.74 0.07 1.79 1.01 -1.26 -4.56 120.40 117.72 2edt s VAL 35 Ca 0.08 0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.63 2edt s VAL 35 Cb -0.02 -4.61 -0.03 0.00 0.00 0.00 0.00 36.38 31.72 2edt s VAL 35 CO -0.02 -1.43 -0.09 0.00 0.00 0.00 0.00 175.10 173.55 2edt s ALA 36 N 6.15 0.89 -0.20 5.51 0.00 -1.26 -4.97 121.76 127.87 2edt s ALA 36 Ca 0.46 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.12 2edt s ALA 36 Cb -0.09 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2edt s ALA 36 CO 0.21 -0.03 1.60 -1.25 0.00 0.00 0.00 175.76 176.28 2edt s PRO 37 N -2.29 3.86 0.55 0.00 0.04 -1.26 -5.01 135.00 130.89 2edt s PRO 37 Ca -0.01 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.77 2edt s PRO 37 Cb -0.06 -4.01 0.04 0.00 0.04 0.00 0.00 34.50 30.51 2edt s PRO 37 CO -0.00 -1.21 0.76 0.14 0.04 0.00 0.00 177.00 176.73 2edt s VAL 38 N 4.96 2.64 -0.21 -0.36 -7.23 -1.26 -4.68 120.40 114.26 2edt s VAL 38 Ca 0.70 -0.73 -0.04 0.00 -1.81 0.00 0.00 61.98 60.10 2edt s VAL 38 Cb -0.25 -2.91 0.09 0.00 0.56 0.00 0.00 36.38 33.86 2edt s VAL 38 CO 0.28 0.00 0.17 -1.61 -0.31 0.00 0.00 175.10 173.63 2edt s GLU 39 N -4.73 0.16 0.06 4.82 2.02 0.15 -4.98 118.70 116.20 2edt s GLU 39 Ca 0.58 -0.02 -0.29 0.00 0.02 0.00 0.00 54.97 55.26 2edt s GLU 39 Cb -0.10 -1.37 -0.05 0.00 0.10 0.00 0.00 34.13 32.72 2edt s GLU 39 CO 0.38 -0.74 0.91 -1.58 0.02 0.00 0.00 175.26 174.25 2edt s TRP 40 N 2.24 3.75 0.06 1.61 0.52 -1.26 -0.66 118.94 125.20 2edt s TRP 40 Ca 0.06 1.68 -0.00 0.00 0.02 0.00 0.00 56.10 57.86 2edt s TRP 40 Cb -0.16 -3.01 -0.04 0.00 -1.15 0.00 0.00 33.47 29.11 2edt s TRP 40 CO -0.16 0.16 -0.04 1.03 0.02 0.00 0.00 176.95 177.96 2edt s ARG 41 N 0.29 0.67 -0.46 4.98 0.52 0.92 -2.09 118.95 123.78 2edt s ARG 41 Ca 0.46 -1.25 0.03 0.00 -0.52 0.00 0.00 55.73 54.46 2edt s ARG 41 Cb -0.22 0.08 0.16 0.00 0.52 0.00 0.00 34.95 35.49 2edt s ARG 41 CO 0.27 -0.08 0.32 0.21 0.02 0.00 0.00 175.30 176.05 2edt s LYS 42 N -3.86 1.21 4.64 3.54 2.20 -1.15 -0.28 119.74 126.05 2edt s LYS 42 Ca 0.08 -2.18 0.00 0.00 -0.36 0.00 0.00 55.97 53.52 2edt s LYS 42 Cb 0.07 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.42 2edt s LYS 42 CO -0.08 -1.29 0.00 0.41 -0.36 0.00 0.00 175.35 174.03 2edt n GLY 43 N 3.05 3.22 0.06 5.54 0.00 -1.26 0.16 105.19 115.97 2edt n GLY 43 Ca 0.20 0.26 0.09 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 12.06 0.09 -2.80 1.61 -0.04 -1.26 -4.76 135.00 139.90 2edt n PRO 44 Ca 0.00 0.34 -0.20 0.00 -0.04 0.00 0.00 63.50 63.60 2edt n PRO 44 Cb 0.00 -1.67 0.03 0.00 -0.04 0.00 0.00 33.50 31.82 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 -3.15 2.59 -0.18 0.54 2.02 0.12 -5.11 118.70 115.53 2edt s GLU 45 Ca 0.06 -1.03 -0.04 0.00 0.02 0.00 0.00 54.97 53.98 2edt s GLU 45 Cb 0.09 -2.59 0.06 0.00 0.10 0.00 0.00 34.13 31.79 2edt s GLU 45 CO 0.32 -0.60 0.07 0.54 0.02 0.00 0.00 175.26 175.61 2edt s ASN 46 N -4.43 2.57 0.37 -0.19 2.20 -1.26 -2.93 114.94 111.27 2edt s ASN 46 Ca 0.57 -0.70 -0.08 0.00 -0.94 0.00 0.00 52.86 51.70 2edt s ASN 46 Cb -0.10 -0.37 -0.06 0.00 -2.00 0.00 0.00 41.25 38.72 2edt s ASN 46 CO 0.37 -0.34 0.69 -0.76 -2.94 0.00 0.00 177.10 174.13 2edt s LEU 47 N 2.04 3.91 -0.03 3.54 1.43 -0.89 -4.94 118.68 123.73 2edt s LEU 47 Ca 0.01 0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 53.80 2edt s LEU 47 Cb -0.16 -3.84 0.11 0.00 0.03 0.00 0.00 46.19 42.32 2edt s LEU 47 CO -0.09 -0.33 0.95 0.00 0.23 0.00 0.00 176.35 177.11 2edt s ARG 48 N -3.77 0.74 -0.14 1.70 1.04 -1.26 -4.32 118.95 112.94 2edt s ARG 48 Ca 0.49 -0.28 -0.29 0.00 -1.04 0.00 0.00 55.73 54.60 2edt s ARG 48 Cb -0.10 0.33 -0.06 0.00 -2.04 0.00 0.00 34.95 33.08 2edt s ARG 48 CO 0.31 -0.33 2.15 -3.47 -0.04 0.00 0.00 175.30 173.93 2edt n ASP 49 N -0.23 3.52 -0.08 -2.89 -0.08 -1.26 -4.56 116.55 110.97 2edt n ASP 49 Ca -0.07 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 2edt n ASP 49 Cb 0.61 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.53 2edt n ASP 49 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2edt n GLY 50 N 5.42 3.04 0.18 0.27 0.00 0.96 -4.96 105.19 110.09 2edt n GLY 50 Ca 0.27 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -0.30 -0.07 1.61 3.32 -2.01 -3.27 116.42 115.71 2edt h ASP 51 Ca 0.00 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 2edt h ASP 51 Cb 0.00 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2edt h ASP 51 CO 0.00 0.17 -0.10 0.03 -1.72 0.00 0.00 179.24 177.63 2edt h ARG 52 N -0.90 0.35 -5.03 3.56 3.08 -1.93 -3.40 114.38 110.10 2edt h ARG 52 Ca -0.04 -0.08 -0.66 0.00 0.07 0.00 0.00 59.98 59.27 2edt h ARG 52 Cb 0.51 -0.05 -0.31 0.00 0.08 0.00 0.00 29.97 30.20 2edt h ARG 52 CO 0.06 0.46 -0.78 0.71 -1.07 0.00 0.00 179.97 179.35 2edt s TYR 53 N -4.79 2.88 -0.56 3.04 1.51 -1.23 -1.72 117.35 116.48 2edt s TYR 53 Ca -0.06 -1.20 -0.17 0.00 -1.01 0.00 0.00 57.07 54.62 2edt s TYR 53 Cb 0.15 -2.02 0.12 0.00 -0.11 0.00 0.00 41.96 40.10 2edt s TYR 53 CO 0.75 -0.64 0.59 0.42 -1.11 0.00 0.00 175.55 175.56 2edt s ILE 54 N 1.36 5.04 0.05 2.71 1.01 0.16 -0.03 121.20 131.50 2edt s ILE 54 Ca 0.05 -1.27 -0.00 0.00 0.00 0.00 0.00 60.65 59.43 2edt s ILE 54 Cb -0.14 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 2edt s ILE 54 CO -0.07 -0.98 0.20 -0.76 0.00 0.00 0.00 174.94 173.34 2edt s LEU 55 N 2.08 4.35 0.09 2.97 2.01 -1.26 -0.75 118.68 128.17 2edt s LEU 55 Ca 0.07 0.28 -0.17 0.00 0.01 0.00 0.00 54.13 54.31 2edt s LEU 55 Cb -0.27 -2.89 0.04 0.00 0.01 0.00 0.00 46.19 43.07 2edt s LEU 55 CO 0.04 0.19 0.42 -0.13 1.01 0.00 0.00 176.35 177.88 2edt s ARG 56 N -2.40 1.02 -0.22 1.70 0.52 -0.18 -4.98 118.95 114.41 2edt s ARG 56 Ca 0.33 -0.54 -0.04 0.00 -0.52 0.00 0.00 55.73 54.97 2edt s ARG 56 Cb -0.13 0.45 0.11 0.00 0.52 0.00 0.00 34.95 35.90 2edt s ARG 56 CO 0.26 -0.38 0.31 -1.14 0.02 0.00 0.00 175.30 174.37 2edt s GLN 57 N -3.21 0.27 -0.31 3.54 0.74 -1.26 -1.05 119.66 118.37 2edt s GLN 57 Ca -0.01 0.45 0.10 0.00 0.05 0.00 0.00 55.36 55.95 2edt s GLN 57 Cb 0.01 -0.69 0.72 0.00 1.10 0.00 0.00 33.01 34.15 2edt s GLN 57 CO -0.08 -0.60 1.76 0.39 -0.55 0.00 0.00 175.29 176.21 2edt n GLU 58 N 5.35 3.58 0.00 1.67 -0.58 -1.11 -5.04 120.64 124.51 2edt n GLU 58 Ca -0.05 -3.09 0.00 0.00 -0.42 0.00 0.00 57.16 53.61 2edt n GLU 58 Cb 0.50 -2.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 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 -0.23 0.33 0.22 0.62 0.00 -1.26 -4.73 105.19 100.14 2edt n GLY 59 Ca 0.39 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.82 2edt n GLY 59 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2edt h THR 60 N 0.00 0.00 -3.38 2.61 1.35 -1.86 -3.40 112.91 108.23 2edt h THR 60 Ca 0.00 0.00 -0.68 0.00 -0.55 0.00 0.00 66.41 65.18 2edt h THR 60 Cb 0.00 0.47 -0.16 0.00 -1.73 0.00 0.00 68.15 66.73 2edt h THR 60 CO 0.00 0.00 -0.64 -0.60 -0.25 0.00 0.00 175.52 174.03 2edt s ARG 61 N -3.62 3.02 0.48 4.72 3.52 -1.26 -0.17 118.95 125.65 2edt s ARG 61 Ca -0.02 -0.44 0.06 0.00 -0.13 0.00 0.00 55.73 55.19 2edt s ARG 61 Cb 0.06 -2.78 -0.00 0.00 -1.56 0.00 0.00 34.95 30.67 2edt s ARG 61 CO 0.19 0.65 0.27 0.00 -0.81 0.00 0.00 175.30 175.60 2edt s GLU 63 N -4.09 0.38 -0.13 0.00 2.02 -0.22 -3.25 118.70 113.41 2edt s GLU 63 Ca 0.34 0.98 0.02 0.00 0.02 0.00 0.00 54.97 56.33 2edt s GLU 63 Cb 0.00 0.22 -0.00 0.00 0.10 0.00 0.00 34.13 34.45 2edt s GLU 63 CO 0.20 -0.21 -0.19 -1.17 0.02 0.00 0.00 175.26 173.91 2edt s LEU 64 N 2.15 2.32 -0.07 1.80 2.96 0.10 -1.01 118.68 126.93 2edt s LEU 64 Ca -0.05 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 2edt s LEU 64 Cb -0.10 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.09 2edt s LEU 64 CO -0.13 0.12 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.74 2edt s GLN 65 N 0.60 2.20 -0.67 1.98 -0.21 0.07 -1.46 119.66 122.16 2edt s GLN 65 Ca -0.11 -0.61 -0.04 0.00 0.02 0.00 0.00 55.36 54.63 2edt s GLN 65 Cb -0.16 -1.75 0.17 0.00 1.00 0.00 0.00 33.01 32.27 2edt s GLN 65 CO 0.03 0.12 0.50 0.42 -2.12 0.00 0.00 175.29 174.24 2edt s ILE 66 N 0.45 3.92 -0.07 1.08 1.01 -1.26 0.38 121.20 126.72 2edt s ILE 66 Ca -0.15 -3.04 -0.29 0.00 0.00 0.00 0.00 60.65 57.17 2edt s ILE 66 Cb -0.16 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.70 2edt s ILE 66 CO 0.05 -0.91 2.07 0.00 0.00 0.00 0.00 174.94 176.15 2edt n GLY 68 N 5.03 0.19 3.89 0.00 0.00 -1.20 -4.86 105.19 108.24 2edt n GLY 68 Ca 0.24 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.31 3.32 0.03 0.99 1.43 0.06 -4.79 118.68 119.41 2edt s LEU 69 Ca 0.00 1.10 -0.28 0.00 -1.03 0.00 0.00 54.13 53.92 2edt s LEU 69 Cb 0.00 -4.04 0.09 0.00 0.03 0.00 0.00 46.19 42.27 2edt s LEU 69 CO 0.00 -0.87 0.93 0.00 0.23 0.00 0.00 176.35 176.64 2edt s ALA 70 N -3.03 -1.80 0.43 4.21 0.00 -1.26 0.04 121.76 120.36 2edt s ALA 70 Ca 0.53 0.77 0.27 0.00 0.00 0.00 0.00 51.96 53.53 2edt s ALA 70 Cb -0.11 0.46 1.33 0.00 0.00 0.00 0.00 23.12 24.80 2edt s ALA 70 CO 0.49 -0.80 1.69 0.52 0.00 0.00 0.00 175.76 177.66 2edt h MET 71 N 2.00 0.18 -0.50 0.00 2.86 -1.97 0.63 114.93 118.14 2edt h MET 71 Ca -0.23 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 2edt h MET 71 Cb 1.24 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 2edt h MET 71 CO 0.29 0.12 0.01 0.00 1.06 0.00 0.00 176.91 178.39 2edt h ALA 72 N 1.58 0.67 -0.56 6.32 0.00 -2.01 -2.62 119.26 122.64 2edt h ALA 72 Ca 0.72 -0.28 0.16 0.00 0.00 0.00 0.00 54.91 55.52 2edt h ALA 72 Cb 2.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 2edt h ALA 72 CO -0.33 0.47 0.50 -0.44 0.00 0.00 0.00 179.25 179.44 2edt h ASP 73 N 0.73 0.00 -2.66 0.00 5.19 -0.11 -3.39 116.42 116.19 2edt h ASP 73 Ca 0.14 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.98 2edt h ASP 73 Cb 0.50 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 2edt h ASP 73 CO 0.02 0.00 1.26 0.00 -3.12 0.00 0.00 179.24 177.41 2edt s ALA 74 N -4.76 2.83 0.00 3.45 0.00 -0.99 -4.74 121.76 117.54 2edt s ALA 74 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2edt s ALA 74 Cb 0.18 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2edt s ALA 74 CO 0.63 -2.71 0.00 0.41 0.00 0.00 0.00 175.76 174.08 2edt n GLY 75 N 5.41 1.60 2.61 0.00 0.00 -1.23 -5.00 105.19 108.58 2edt n GLY 75 Ca 0.22 0.28 -0.26 0.00 0.00 0.00 0.00 46.02 46.27 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 3.45 0.06 0.04 1.61 2.12 -1.26 -2.96 118.70 121.76 2edt s GLU 76 Ca 0.00 -0.06 -0.13 0.00 0.36 0.00 0.00 54.97 55.13 2edt s GLU 76 Cb 0.00 -1.79 -0.06 0.00 0.26 0.00 0.00 34.13 32.54 2edt s GLU 76 CO 0.00 -0.66 0.43 0.71 -0.54 0.00 0.00 175.26 175.20 2edt s TYR 77 N 2.14 3.67 -0.06 5.30 1.51 -1.14 -4.08 117.35 124.70 2edt s TYR 77 Ca 0.02 0.95 0.04 0.00 -1.01 0.00 0.00 57.07 57.07 2edt s TYR 77 Cb -0.16 -2.27 0.00 0.00 -0.11 0.00 0.00 41.96 39.43 2edt s TYR 77 CO -0.09 0.58 -0.16 -0.51 -1.11 0.00 0.00 175.55 174.26 2edt s LEU 78 N -1.44 1.85 -0.36 -1.29 1.02 0.61 -0.91 118.68 118.17 2edt s LEU 78 Ca 0.28 -0.35 -0.07 0.00 0.02 0.00 0.00 54.13 54.01 2edt s LEU 78 Cb -0.16 -0.96 0.05 0.00 0.02 0.00 0.00 46.19 45.15 2edt s LEU 78 CO 0.16 0.11 0.15 0.00 0.02 0.00 0.00 176.35 176.79 2edt s VAL 80 N 1.38 5.08 -0.28 0.00 1.01 0.17 -2.68 120.40 125.08 2edt s VAL 80 Ca 0.00 0.48 0.11 0.00 0.00 0.00 0.00 61.98 62.58 2edt s VAL 80 Cb -0.21 -3.86 0.65 0.00 0.00 0.00 0.00 36.38 32.96 2edt s VAL 80 CO 0.02 -0.05 1.65 0.00 0.00 0.00 0.00 175.10 176.72 2edt n GLY 82 N -0.46 1.33 0.09 0.00 0.00 -1.26 -4.51 105.19 100.37 2edt n GLY 82 Ca 0.35 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 2edt n GLY 82 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2edt h GLN 83 N 0.00 0.00 -6.26 1.61 -0.00 -1.95 -3.47 115.11 105.04 2edt h GLN 83 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 58.65 58.08 2edt h GLN 83 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 27.48 27.39 2edt h GLN 83 CO 0.00 0.43 -0.62 -1.21 0.00 0.00 0.00 178.83 177.43 2edt s GLU 84 N -2.84 2.50 -0.08 1.69 0.41 -1.26 -5.13 118.70 113.98 2edt s GLU 84 Ca -0.02 -1.18 -0.30 0.00 -0.41 0.00 0.00 54.97 53.06 2edt s GLU 84 Cb 0.08 -2.35 0.09 0.00 -1.78 0.00 0.00 34.13 30.18 2edt s GLU 84 CO 0.80 0.42 0.80 -0.98 -0.49 0.00 0.00 175.26 175.81 2edt s ARG 85 N -3.36 0.89 0.08 1.61 1.70 -1.26 -1.19 118.95 117.43 2edt s ARG 85 Ca 0.30 0.18 0.03 0.00 -0.47 0.00 0.00 55.73 55.77 2edt s ARG 85 Cb -0.08 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 2edt s ARG 85 CO 0.20 -0.28 -0.09 -0.08 -1.08 0.00 0.00 175.30 173.97 2edt s THR 86 N -1.28 0.80 0.06 4.99 -1.32 -1.09 -4.98 115.64 112.83 2edt s THR 86 Ca -0.07 -1.55 0.09 0.00 -1.21 0.00 0.00 61.69 58.95 2edt s THR 86 Cb -0.00 -1.23 -0.03 0.00 -1.51 0.00 0.00 72.50 69.73 2edt s THR 86 CO 0.06 -0.56 -0.23 -0.94 -2.21 0.00 0.00 174.62 170.73 2edt s SER 87 N -2.32 2.83 0.25 8.08 1.04 -1.26 -1.28 113.70 121.03 2edt s SER 87 Ca 0.03 -0.60 0.04 0.00 0.48 0.00 0.00 55.95 55.90 2edt s SER 87 Cb -0.03 -0.23 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 2edt s SER 87 CO -0.01 0.18 0.13 0.00 0.98 0.00 0.00 173.24 174.53 2edt n ALA 88 N 1.60 0.42 -3.78 5.32 0.00 -0.08 -4.90 120.51 119.09 2edt n ALA 88 Ca -0.17 -1.33 -0.23 0.00 0.00 0.00 0.00 53.44 51.71 2edt n ALA 88 Cb 0.53 0.97 -0.18 0.00 0.00 0.00 0.00 19.45 20.77 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 -2.69 0.41 -0.06 0.00 2.01 -1.26 -2.90 115.64 111.15 2edt s THR 89 Ca 0.19 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.24 2edt s THR 89 Cb 0.01 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2edt s THR 89 CO 0.13 0.26 0.17 -0.22 -0.69 0.00 0.00 174.62 174.28 2edt s LEU 90 N 1.95 4.38 -0.12 4.42 2.96 -1.16 -2.11 118.68 129.00 2edt s LEU 90 Ca 0.05 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 2edt s LEU 90 Cb -0.12 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 2edt s LEU 90 CO -0.05 0.33 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.24 2edt s THR 91 N -1.19 2.63 -0.09 3.68 2.01 0.83 -3.52 115.64 120.00 2edt s THR 91 Ca 0.22 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 2edt s THR 91 Cb -0.12 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 2edt s THR 91 CO 0.12 0.54 0.05 -0.63 -0.69 0.00 0.00 174.62 174.01 2edt s ILE 92 N 0.41 4.73 -0.25 1.82 -1.09 -1.26 0.57 121.20 126.13 2edt s ILE 92 Ca -0.13 -0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 2edt s ILE 92 Cb -0.17 -3.04 0.05 0.00 -1.58 0.00 0.00 42.46 37.72 2edt s ILE 92 CO 0.06 0.58 -0.10 -0.13 -1.23 0.00 0.00 174.94 174.12 2edt s ARG 93 N -1.04 2.49 -0.12 2.79 1.81 0.15 -4.92 118.95 120.12 2edt s ARG 93 Ca 0.15 -1.19 -0.37 0.00 -1.72 0.00 0.00 55.73 52.60 2edt s ARG 93 Cb -0.12 -2.90 -0.14 0.00 -0.45 0.00 0.00 34.95 31.35 2edt s ARG 93 CO 0.04 -0.49 1.73 0.00 -0.68 0.00 0.00 175.30 175.91 2edt n ALA 94 N 4.53 0.27 -1.82 2.13 0.00 -1.26 -0.92 120.51 123.43 2edt n ALA 94 Ca -0.15 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 2edt n ALA 94 Cb 0.44 -2.32 -0.06 0.00 0.00 0.00 0.00 19.45 17.51 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 3.14 3.84 -0.68 0.00 0.05 -1.26 -4.85 118.68 118.92 2edt s LEU 95 Ca 0.93 1.66 -0.26 0.00 0.05 0.00 0.00 54.13 56.51 2edt s LEU 95 Cb -0.88 -4.53 -0.03 0.00 -2.05 0.00 0.00 46.19 38.70 2edt s LEU 95 CO 0.56 -0.44 1.88 -2.16 -0.55 0.00 0.00 176.35 175.63 2edt s PRO 96 N -3.44 2.61 0.00 1.48 0.04 -1.26 -4.89 135.00 129.54 2edt s PRO 96 Ca 0.61 0.39 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2edt s PRO 96 Cb -0.10 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.89 2edt s PRO 96 CO 0.19 -2.89 0.92 0.43 0.04 0.00 0.00 177.00 175.69 2edt n SER 97 N 13.04 0.00 -4.45 6.66 7.64 -1.26 -4.74 113.62 130.51 2edt n SER 97 Ca 0.25 0.92 -0.42 0.00 1.01 0.00 0.00 58.87 60.63 2edt n SER 97 Cb 0.51 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.93 -1.49 3.57 0.23 0.00 -1.26 -4.75 105.19 100.57 2edt n GLY 98 Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.51 2.51 1.07 1.61 0.04 -1.26 -4.95 135.00 132.51 2edt s PRO 99 Ca 0.63 -0.92 -0.18 0.00 0.04 0.00 0.00 61.00 60.57 2edt s PRO 99 Cb -0.63 -5.19 0.05 0.00 0.04 0.00 0.00 34.50 28.77 2edt s PRO 99 CO 0.58 -3.81 -0.09 -1.13 0.04 0.00 0.00 177.00 172.59 2edt n SER 100 N 14.28 -2.52 0.15 6.66 3.41 -1.26 -4.95 113.62 129.38 2edt n SER 100 Ca 0.43 -0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.97 2edt n SER 100 Cb 0.47 -0.96 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 2edt n SER 100 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2edt h SER 101 N -1.82 -0.39 0.00 4.04 0.87 -2.04 -3.55 113.55 110.66 2edt h SER 101 Ca -0.50 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2edt h SER 101 Cb 1.34 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 2edt h SER 101 CO 0.35 0.02 0.00 0.61 -0.53 0.00 0.00 176.83 177.28