#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 5.16 -0.00 1.61 0.01 -1.26 -4.94 113.70 114.28 2edt s SER 2 Ca 0.00 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.25 2edt s SER 2 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2edt s SER 2 CO 0.00 -2.34 0.00 -0.55 0.41 0.00 0.00 173.24 170.76 2edt s SER 3 N 9.01 0.03 0.00 2.44 0.15 -1.26 -5.09 113.70 118.98 2edt s SER 3 Ca 0.84 0.00 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2edt s SER 3 Cb -0.19 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2edt s SER 3 CO 0.27 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2edt n GLY 4 N 3.24 1.58 1.16 9.45 0.00 -1.26 -5.02 105.19 114.35 2edt n GLY 4 Ca -0.14 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.06 2edt n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2edt n SER 5 N 0.00 3.41 -3.67 1.61 3.41 -1.26 -4.71 113.62 112.40 2edt n SER 5 Ca 0.00 -1.98 -0.30 0.00 -0.26 0.00 0.00 58.87 56.33 2edt n SER 5 Cb 0.00 -0.37 -0.14 0.00 -0.26 0.00 0.00 64.21 63.44 2edt n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2edt s SER 6 N -1.17 3.69 -0.04 4.04 0.01 -1.26 -5.11 113.70 113.86 2edt s SER 6 Ca 0.42 -2.10 -0.10 0.00 1.31 0.00 0.00 55.95 55.48 2edt s SER 6 Cb 0.23 -0.83 0.02 0.00 0.21 0.00 0.00 66.02 65.64 2edt s SER 6 CO 0.30 -0.34 0.23 -0.83 0.41 0.00 0.00 173.24 173.01 2edt s GLY 7 N 1.06 -0.10 1.25 3.44 0.00 -1.26 -5.17 107.32 106.54 2edt s GLY 7 Ca 0.14 0.32 -0.21 0.00 0.00 0.00 0.00 44.72 44.97 2edt s GLY 7 CO -0.11 0.17 1.11 2.56 0.00 0.00 0.00 173.10 176.83 2edt s PRO 8 N -0.79 -1.64 -0.31 2.90 0.04 -1.26 -4.97 135.00 128.98 2edt s PRO 8 Ca -0.09 -0.21 -0.27 0.00 0.04 0.00 0.00 61.00 60.48 2edt s PRO 8 Cb -0.05 -1.56 0.01 0.00 0.04 0.00 0.00 34.50 32.94 2edt s PRO 8 CO 0.02 -3.96 0.95 0.00 0.04 0.00 0.00 177.00 174.04 2edt s ALA 9 N -3.01 3.53 -0.18 8.56 0.00 -1.26 -4.92 121.76 124.47 2edt s ALA 9 Ca 0.72 -0.20 -0.07 0.00 0.00 0.00 0.00 51.96 52.41 2edt s ALA 9 Cb -0.07 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2edt s ALA 9 CO 0.56 -1.32 0.06 0.15 0.00 0.00 0.00 175.76 175.20 2edt s LYS 10 N 3.31 3.96 -0.14 0.00 1.02 -1.26 -4.61 119.74 122.02 2edt s LYS 10 Ca 0.40 -0.35 -0.35 0.00 0.02 0.00 0.00 55.97 55.69 2edt s LYS 10 Cb -0.13 -3.21 -0.12 0.00 -0.52 0.00 0.00 37.83 33.85 2edt s LYS 10 CO 0.13 0.27 1.91 1.19 -0.92 0.00 0.00 175.35 177.93 2edt n PHE 11 N 3.55 2.24 0.09 3.18 3.01 -1.26 -1.36 117.46 126.90 2edt n PHE 11 Ca -0.17 0.06 -0.22 0.00 1.01 0.00 0.00 57.45 58.14 2edt n PHE 11 Cb 0.52 -2.64 -0.15 0.00 -0.01 0.00 0.00 39.48 37.20 2edt n PHE 11 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 2edt h THR 12 N 5.65 1.07 0.00 4.37 1.35 -1.82 -3.40 112.91 120.12 2edt h THR 12 Ca -0.46 -2.63 -0.09 0.00 -0.55 0.00 0.00 66.41 62.67 2edt h THR 12 Cb 1.28 2.83 -0.02 0.00 -1.73 0.00 0.00 68.15 70.51 2edt h THR 12 CO 0.96 0.84 -1.40 -0.62 -0.25 0.00 0.00 175.52 175.05 2edt n GLU 13 N -3.59 2.59 -1.15 4.72 -0.58 -1.26 -5.04 120.64 116.33 2edt n GLU 13 Ca -0.21 -0.01 0.15 0.00 -0.42 0.00 0.00 57.16 56.67 2edt n GLU 13 Cb 1.08 -1.16 -0.06 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 2.55 -2.65 1.87 0.62 0.00 -1.26 -4.90 105.19 101.42 2edt n GLY 14 Ca -0.09 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.94 0.00 -3.76 0.99 4.77 -1.26 -4.70 117.00 109.09 2edt n LEU 15 Ca -0.04 -0.55 -0.06 0.00 -0.03 0.00 0.00 56.01 55.33 2edt n LEU 15 Cb 0.54 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2edt n LEU 15 CO 0.02 -2.09 0.60 0.00 -1.33 0.00 0.00 177.39 174.60 2edt s ARG 16 N -4.26 1.42 0.06 3.23 1.70 -1.26 -4.97 118.95 114.86 2edt s ARG 16 Ca 0.39 -0.76 -0.20 0.00 -0.47 0.00 0.00 55.73 54.68 2edt s ARG 16 Cb -0.06 0.50 -0.06 0.00 -0.57 0.00 0.00 34.95 34.75 2edt s ARG 16 CO 0.32 -0.65 0.60 0.54 -1.08 0.00 0.00 175.30 175.04 2edt s ASN 17 N -2.90 7.08 0.29 -2.89 2.20 -1.26 -4.24 114.94 113.22 2edt s ASN 17 Ca 0.11 1.28 -0.04 0.00 -0.94 0.00 0.00 52.86 53.27 2edt s ASN 17 Cb -0.03 -2.38 -0.01 0.00 -2.00 0.00 0.00 41.25 36.83 2edt s ASN 17 CO 0.03 0.21 0.39 -1.83 -2.94 0.00 0.00 177.10 172.95 2edt s GLU 18 N -0.81 1.66 0.19 3.55 1.03 -0.98 -4.98 118.70 118.36 2edt s GLU 18 Ca 0.31 -1.64 0.00 0.00 0.03 0.00 0.00 54.97 53.67 2edt s GLU 18 Cb -0.20 0.40 -0.04 0.00 -0.80 0.00 0.00 34.13 33.49 2edt s GLU 18 CO 0.19 -0.66 0.07 -1.83 -1.33 0.00 0.00 175.26 171.71 2edt s GLU 19 N -3.55 1.17 0.15 -4.83 -1.05 -1.26 -0.09 118.70 109.23 2edt s GLU 19 Ca 0.31 -1.60 -0.12 0.00 -0.15 0.00 0.00 54.97 53.42 2edt s GLU 19 Cb 0.01 -0.00 0.04 0.00 -0.44 0.00 0.00 34.13 33.74 2edt s GLU 19 CO 0.17 -0.27 0.57 0.00 0.95 0.00 0.00 175.26 176.67 2edt n ALA 20 N -0.27 -1.43 -2.45 -0.84 0.00 0.22 -4.85 120.51 110.89 2edt n ALA 20 Ca -0.02 -0.65 -0.32 0.00 0.00 0.00 0.00 53.44 52.45 2edt n ALA 20 Cb 0.65 0.41 -0.13 0.00 0.00 0.00 0.00 19.45 20.38 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 -2.33 2.87 0.38 0.00 1.01 -1.26 0.12 120.40 121.19 2edt s VAL 21 Ca 0.12 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 2edt s VAL 21 Cb -0.02 -2.14 -0.14 0.00 0.00 0.00 0.00 36.38 34.07 2edt s VAL 21 CO 0.04 0.50 0.39 -0.62 0.00 0.00 0.00 175.10 175.41 2edt n GLU 22 N 2.05 0.30 0.00 2.72 1.02 0.06 -0.95 120.64 125.84 2edt n GLU 22 Ca -0.17 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2edt n GLU 22 Cb 0.52 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 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 2.00 1.21 1.61 0.62 0.00 -0.00 -4.76 105.19 105.88 2edt n GLY 23 Ca 0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 -4.04 4.61 0.00 -0.13 -3.33 120.51 115.63 2edt n ALA 24 Ca 0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 53.44 52.54 2edt n ALA 24 Cb 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 19.45 19.25 2edt n ALA 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2edt s THR 25 N -1.43 2.24 1.03 0.00 2.01 -1.26 -2.15 115.64 116.09 2edt s THR 25 Ca 0.25 -1.68 -0.15 0.00 0.31 0.00 0.00 61.69 60.42 2edt s THR 25 Cb -0.04 -2.35 0.14 0.00 0.01 0.00 0.00 72.50 70.26 2edt s THR 25 CO 0.21 -0.08 0.18 0.00 -0.69 0.00 0.00 174.62 174.24 2edt n ALA 26 N 4.43 -1.70 -3.33 7.40 0.00 -1.25 -4.82 120.51 121.24 2edt n ALA 26 Ca -0.12 -1.11 -0.08 0.00 0.00 0.00 0.00 53.44 52.13 2edt n ALA 26 Cb 0.42 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 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 -3.41 0.38 -0.10 0.00 0.00 -1.26 -4.22 119.30 110.68 2edt s MET 27 Ca 0.40 0.54 -0.00 0.00 0.00 0.00 0.00 55.69 56.63 2edt s MET 27 Cb -0.06 -0.36 0.02 0.00 0.00 0.00 0.00 34.83 34.43 2edt s MET 27 CO 0.42 -0.68 -0.07 -0.51 0.00 0.00 0.00 175.02 174.18 2edt s LEU 28 N 2.58 1.15 0.15 4.11 1.43 -0.99 -4.97 118.68 122.15 2edt s LEU 28 Ca 0.13 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2edt s LEU 28 Cb -0.15 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 2edt s LEU 28 CO -0.18 -0.11 -0.11 -1.66 0.23 0.00 0.00 176.35 174.51 2edt s TRP 29 N 1.64 1.35 -0.24 0.29 1.48 -1.26 -0.47 118.94 121.74 2edt s TRP 29 Ca 0.03 -0.70 -0.20 0.00 -1.06 0.00 0.00 56.10 54.17 2edt s TRP 29 Cb -0.13 -0.68 0.06 0.00 -1.16 0.00 0.00 33.47 31.57 2edt s TRP 29 CO -0.07 0.14 0.63 0.00 -4.06 0.00 0.00 176.95 173.59 2edt s GLU 31 N 0.62 3.10 0.06 0.00 2.02 -1.26 -1.66 118.70 121.57 2edt s GLU 31 Ca -0.02 -0.53 -0.05 0.00 0.02 0.00 0.00 54.97 54.39 2edt s GLU 31 Cb -0.05 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 2edt s GLU 31 CO -0.03 -0.21 0.07 -0.51 0.02 0.00 0.00 175.26 174.60 2edt s LEU 32 N -4.50 1.97 0.00 1.80 1.43 -0.14 -2.87 118.68 116.37 2edt s LEU 32 Ca 0.47 -0.79 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 2edt s LEU 32 Cb -0.10 0.58 0.20 0.00 0.03 0.00 0.00 46.19 46.90 2edt s LEU 32 CO 0.37 -0.63 1.12 -0.24 0.23 0.00 0.00 176.35 177.20 2edt n SER 33 N 0.16 0.00 -3.59 2.29 2.88 -0.47 -4.74 113.62 110.15 2edt n SER 33 Ca -0.15 0.47 -0.05 0.00 -1.33 0.00 0.00 58.87 57.80 2edt n SER 33 Cb 0.61 -0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 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 -2.95 0.34 0.01 -1.46 -2.85 -1.26 -4.93 119.74 106.65 2edt s LYS 34 Ca 0.02 -0.11 -0.30 0.00 -1.00 0.00 0.00 55.97 54.59 2edt s LYS 34 Cb 0.03 0.16 -0.07 0.00 -2.06 0.00 0.00 37.83 35.88 2edt s LYS 34 CO 0.08 -0.14 1.70 0.08 0.10 0.00 0.00 175.35 177.17 2edt s VAL 35 N -2.33 3.28 0.06 1.79 1.01 -1.26 -4.74 120.40 118.20 2edt s VAL 35 Ca 0.09 0.52 -0.15 0.00 0.00 0.00 0.00 61.98 62.43 2edt s VAL 35 Cb -0.01 -3.33 0.03 0.00 0.00 0.00 0.00 36.38 33.06 2edt s VAL 35 CO -0.05 -0.03 0.34 0.00 0.00 0.00 0.00 175.10 175.36 2edt s ALA 36 N 3.52 -0.78 -0.44 5.51 0.00 -1.26 -5.02 121.76 123.29 2edt s ALA 36 Ca 0.76 0.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.48 2edt s ALA 36 Cb -0.37 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 2edt s ALA 36 CO 0.32 -0.47 1.76 -1.25 0.00 0.00 0.00 175.76 176.12 2edt s PRO 37 N -2.82 3.13 0.37 0.00 0.04 -1.26 -4.99 135.00 129.47 2edt s PRO 37 Ca -0.03 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.02 2edt s PRO 37 Cb 0.00 -4.23 -0.05 0.00 0.04 0.00 0.00 34.50 30.26 2edt s PRO 37 CO -0.05 -2.11 0.65 0.14 0.04 0.00 0.00 177.00 175.67 2edt s VAL 38 N 7.40 4.97 -0.26 -0.36 -7.23 -1.26 -4.15 120.40 119.50 2edt s VAL 38 Ca 0.72 0.09 -0.02 0.00 -1.81 0.00 0.00 61.98 60.96 2edt s VAL 38 Cb -0.18 -3.79 0.09 0.00 0.56 0.00 0.00 36.38 33.05 2edt s VAL 38 CO 0.29 -0.55 0.08 -1.61 -0.31 0.00 0.00 175.10 173.01 2edt s GLU 39 N -4.08 0.56 0.19 4.82 2.02 0.32 -4.98 118.70 117.55 2edt s GLU 39 Ca 0.45 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 2edt s GLU 39 Cb -0.10 -1.84 -0.08 0.00 0.10 0.00 0.00 34.13 32.21 2edt s GLU 39 CO 0.35 -0.87 1.16 -1.58 0.02 0.00 0.00 175.26 174.34 2edt s TRP 40 N 1.82 3.49 0.04 1.61 0.52 -1.26 -2.06 118.94 123.10 2edt s TRP 40 Ca 0.06 1.51 0.01 0.00 0.02 0.00 0.00 56.10 57.70 2edt s TRP 40 Cb -0.17 -3.37 -0.03 0.00 -1.15 0.00 0.00 33.47 28.76 2edt s TRP 40 CO -0.21 -0.95 -0.05 1.03 0.02 0.00 0.00 176.95 176.78 2edt s ARG 41 N -0.43 0.52 -0.47 4.98 0.52 0.55 -1.90 118.95 122.71 2edt s ARG 41 Ca 0.51 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.88 2edt s ARG 41 Cb -0.32 -0.08 0.14 0.00 0.52 0.00 0.00 34.95 35.22 2edt s ARG 41 CO 0.37 -0.02 0.29 0.21 0.02 0.00 0.00 175.30 176.17 2edt s LYS 42 N -2.22 1.41 3.89 3.54 2.20 -1.21 -0.28 119.74 127.06 2edt s LYS 42 Ca -0.06 -2.21 0.00 0.00 -0.36 0.00 0.00 55.97 53.34 2edt s LYS 42 Cb -0.05 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 2edt s LYS 42 CO -0.02 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.17 2edt n GLY 43 N 3.24 3.12 0.17 5.54 0.00 -1.25 0.41 105.19 116.43 2edt n GLY 43 Ca 0.13 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.55 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 -7.19 1.61 0.13 -1.97 -3.44 132.00 121.13 2edt h PRO 44 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.00 0.14 -1.21 -0.23 0.00 0.00 178.00 176.70 2edt s GLU 45 N -3.42 1.49 -0.22 0.86 2.02 0.17 -5.11 118.70 114.49 2edt s GLU 45 Ca 0.03 -1.11 -0.04 0.00 0.02 0.00 0.00 54.97 53.87 2edt s GLU 45 Cb 0.09 -2.28 0.10 0.00 0.10 0.00 0.00 34.13 32.14 2edt s GLU 45 CO 0.43 -1.60 0.21 -0.80 0.02 0.00 0.00 175.26 173.51 2edt s ASN 46 N -4.79 1.77 0.66 -0.19 0.01 -1.26 -3.31 114.94 107.84 2edt s ASN 46 Ca 0.68 -0.47 -0.08 0.00 -0.71 0.00 0.00 52.86 52.28 2edt s ASN 46 Cb -0.05 0.25 0.03 0.00 0.41 0.00 0.00 41.25 41.89 2edt s ASN 46 CO 0.46 -0.35 1.00 -0.76 -1.51 0.00 0.00 177.10 175.93 2edt s LEU 47 N 2.29 3.00 -0.18 0.60 1.43 -0.80 -4.93 118.68 120.08 2edt s LEU 47 Ca 0.07 0.77 -0.34 0.00 -1.03 0.00 0.00 54.13 53.60 2edt s LEU 47 Cb -0.15 -3.53 0.14 0.00 0.03 0.00 0.00 46.19 42.68 2edt s LEU 47 CO -0.18 -1.32 1.19 0.00 0.23 0.00 0.00 176.35 176.27 2edt s ARG 48 N -5.19 0.33 -0.35 1.70 1.70 -1.26 -4.37 118.95 111.51 2edt s ARG 48 Ca 0.57 -0.11 -0.28 0.00 -0.47 0.00 0.00 55.73 55.45 2edt s ARG 48 Cb -0.11 0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.39 2edt s ARG 48 CO 0.47 -0.14 1.99 0.16 -1.08 0.00 0.00 175.30 176.70 2edt s ASP 49 N -2.09 5.53 0.00 -2.89 1.47 -1.26 -4.62 116.67 112.81 2edt s ASP 49 Ca 0.09 1.33 0.00 0.00 1.18 0.00 0.00 52.55 55.15 2edt s ASP 49 Cb -0.01 -2.52 0.00 0.00 -0.34 0.00 0.00 42.92 40.05 2edt s ASP 49 CO -0.05 -1.99 0.00 0.61 0.68 0.00 0.00 175.17 174.42 2edt n GLY 50 N 5.61 4.02 0.00 2.12 0.00 -0.49 -4.97 105.19 111.48 2edt n GLY 50 Ca 0.26 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.25 1.61 5.75 -1.26 -3.99 116.55 118.91 2edt n ASP 51 Ca 0.00 0.45 0.16 0.00 -0.01 0.00 0.00 54.79 55.39 2edt n ASP 51 Cb 0.00 -0.48 0.73 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.00 0.00 -4.51 0.11 0.11 -1.94 -3.32 114.38 104.83 2edt h ARG 52 Ca 0.00 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.44 2edt h ARG 52 Cb 0.00 0.00 -0.39 0.00 1.11 0.00 0.00 29.97 30.69 2edt h ARG 52 CO 0.00 0.00 -0.77 0.71 0.10 0.00 0.00 179.97 180.01 2edt s TYR 53 N -4.24 2.98 -0.79 4.08 2.02 -1.26 -2.41 117.35 117.73 2edt s TYR 53 Ca -0.03 -2.30 -0.25 0.00 -0.37 0.00 0.00 57.07 54.12 2edt s TYR 53 Cb 0.10 -2.11 0.05 0.00 -0.40 0.00 0.00 41.96 39.60 2edt s TYR 53 CO 0.33 -0.87 1.23 0.42 -1.57 0.00 0.00 175.55 175.10 2edt s ILE 54 N 1.19 3.98 0.10 2.71 1.01 0.02 -1.40 121.20 128.81 2edt s ILE 54 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 2edt s ILE 54 Cb -0.19 -4.88 -0.05 0.00 0.01 0.00 0.00 42.46 37.35 2edt s ILE 54 CO -0.08 -1.76 0.28 -0.76 0.00 0.00 0.00 174.94 172.62 2edt s LEU 55 N 4.97 4.32 -0.03 2.97 2.01 -1.26 -0.78 118.68 130.88 2edt s LEU 55 Ca 0.34 0.41 -0.15 0.00 0.01 0.00 0.00 54.13 54.75 2edt s LEU 55 Cb -0.08 -3.11 0.03 0.00 0.01 0.00 0.00 46.19 43.03 2edt s LEU 55 CO 0.07 0.12 0.32 -0.13 1.01 0.00 0.00 176.35 177.74 2edt s ARG 56 N -2.56 0.65 -0.24 1.70 0.52 -0.14 -4.97 118.95 113.91 2edt s ARG 56 Ca 0.38 -0.11 -0.02 0.00 -0.52 0.00 0.00 55.73 55.45 2edt s ARG 56 Cb -0.13 0.29 0.12 0.00 0.52 0.00 0.00 34.95 35.75 2edt s ARG 56 CO 0.26 -0.17 0.27 -1.14 0.02 0.00 0.00 175.30 174.54 2edt s GLN 57 N -1.17 0.27 -0.44 3.54 0.74 -1.26 -0.53 119.66 120.81 2edt s GLN 57 Ca -0.12 0.11 0.04 0.00 0.05 0.00 0.00 55.36 55.44 2edt s GLN 57 Cb -0.05 -0.89 0.63 0.00 1.10 0.00 0.00 33.01 33.81 2edt s GLN 57 CO 0.04 -0.80 1.87 0.39 -0.55 0.00 0.00 175.29 176.24 2edt n GLU 58 N 5.32 2.24 0.00 1.67 4.71 -1.15 -5.02 120.64 128.41 2edt n GLU 58 Ca -0.04 -3.06 0.00 0.00 -0.01 0.00 0.00 57.16 54.05 2edt n GLU 58 Cb 0.48 -2.14 0.00 0.00 -1.01 0.00 0.00 31.44 28.77 2edt n GLU 58 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2edt n GLY 59 N -1.13 0.32 0.00 0.62 0.00 -1.26 -4.72 105.19 99.02 2edt n GLY 59 Ca 0.57 -1.34 0.07 0.00 0.00 0.00 0.00 46.02 45.32 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 0.90 -4.09 2.61 -2.24 -1.26 -4.60 114.28 105.60 2edt n THR 60 Ca 0.00 0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.66 2edt n THR 60 Cb 0.00 -0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 67.15 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 -2.89 3.90 -0.24 -0.78 3.52 -1.26 -0.97 118.95 120.23 2edt s ARG 61 Ca 0.09 -0.38 -0.00 0.00 -0.13 0.00 0.00 55.73 55.30 2edt s ARG 61 Cb 0.10 -3.15 0.03 0.00 -1.56 0.00 0.00 34.95 30.37 2edt s ARG 61 CO 0.25 0.26 -0.10 0.00 -0.81 0.00 0.00 175.30 174.91 2edt s GLU 63 N 1.27 3.51 -0.03 0.00 2.02 0.31 -2.42 118.70 123.36 2edt s GLU 63 Ca -0.01 -0.10 0.03 0.00 0.02 0.00 0.00 54.97 54.91 2edt s GLU 63 Cb -0.17 -3.16 -0.00 0.00 0.10 0.00 0.00 34.13 30.90 2edt s GLU 63 CO -0.06 0.73 -0.12 -1.17 0.02 0.00 0.00 175.26 174.66 2edt s LEU 64 N -1.30 1.85 -0.06 1.80 2.96 0.38 -0.97 118.68 123.34 2edt s LEU 64 Ca 0.20 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 2edt s LEU 64 Cb -0.13 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.85 2edt s LEU 64 CO 0.09 0.11 -0.13 -1.10 -1.32 0.00 0.00 176.35 174.00 2edt s GLN 65 N 0.09 1.72 -0.57 1.98 -0.21 0.04 -2.34 119.66 120.37 2edt s GLN 65 Ca -0.03 -0.45 -0.08 0.00 0.02 0.00 0.00 55.36 54.83 2edt s GLN 65 Cb -0.09 -1.42 0.15 0.00 1.00 0.00 0.00 33.01 32.64 2edt s GLN 65 CO 0.01 0.06 0.44 0.42 -2.12 0.00 0.00 175.29 174.10 2edt s ILE 66 N 0.55 4.26 -0.11 1.08 1.01 -1.26 -0.80 121.20 125.93 2edt s ILE 66 Ca -0.13 -2.26 -0.29 0.00 0.00 0.00 0.00 60.65 57.96 2edt s ILE 66 Cb -0.15 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 2edt s ILE 66 CO 0.04 -0.85 1.68 0.00 0.00 0.00 0.00 174.94 175.81 2edt n GLY 68 N 4.40 0.64 3.83 0.00 0.00 -1.25 -4.90 105.19 107.91 2edt n GLY 68 Ca 0.18 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.30 3.21 -0.21 0.99 1.43 -0.91 -4.82 118.68 118.07 2edt s LEU 69 Ca 0.00 1.58 -0.31 0.00 -1.03 0.00 0.00 54.13 54.37 2edt s LEU 69 Cb 0.00 -4.49 0.15 0.00 0.03 0.00 0.00 46.19 41.88 2edt s LEU 69 CO 0.00 -1.23 1.19 0.00 0.23 0.00 0.00 176.35 176.55 2edt s ALA 70 N -3.01 -2.04 0.36 4.21 0.00 -1.26 -0.82 121.76 119.20 2edt s ALA 70 Ca 0.58 1.69 0.29 0.00 0.00 0.00 0.00 51.96 54.51 2edt s ALA 70 Cb -0.13 -0.78 1.20 0.00 0.00 0.00 0.00 23.12 23.40 2edt s ALA 70 CO 0.52 -0.39 1.20 -1.33 0.00 0.00 0.00 175.76 175.76 2edt n MET 71 N 0.36 -0.02 -0.04 0.00 2.81 -1.26 0.22 117.12 119.18 2edt n MET 71 Ca -0.03 0.93 -0.11 0.00 -1.81 0.00 0.00 57.70 56.67 2edt n MET 71 Cb 0.58 -1.91 -0.06 0.00 -0.71 0.00 0.00 33.22 31.13 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 1.10 0.20 -1.07 3.04 0.00 -1.99 -2.88 119.26 117.66 2edt h ALA 72 Ca 0.69 -0.15 0.31 0.00 0.00 0.00 0.00 54.91 55.76 2edt h ALA 72 Cb 2.38 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.99 2edt h ALA 72 CO -0.26 -0.15 0.65 -0.44 0.00 0.00 0.00 179.25 179.05 2edt h ASP 73 N 0.04 0.48 -1.44 0.00 3.32 0.23 -3.38 116.42 115.67 2edt h ASP 73 Ca 0.05 0.14 -0.57 0.00 0.02 0.00 0.00 57.03 56.66 2edt h ASP 73 Cb 0.28 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2edt h ASP 73 CO 0.00 -0.04 1.53 0.00 -1.72 0.00 0.00 179.24 179.01 2edt n ALA 74 N -2.38 1.18 -2.00 3.45 0.00 -1.09 -4.68 120.51 114.99 2edt n ALA 74 Ca 0.30 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2edt n ALA 74 Cb 0.99 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 6.15 2.13 2.76 0.00 0.00 -1.25 -4.99 105.19 109.99 2edt n GLY 75 Ca 0.38 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 3.93 0.64 -0.15 1.61 2.12 -1.26 -2.45 118.70 123.13 2edt s GLU 76 Ca 0.00 -0.11 -0.07 0.00 0.36 0.00 0.00 54.97 55.15 2edt s GLU 76 Cb 0.00 -1.46 -0.04 0.00 0.26 0.00 0.00 34.13 32.89 2edt s GLU 76 CO 0.00 -0.44 0.09 0.71 -0.54 0.00 0.00 175.26 175.08 2edt s TYR 77 N 1.93 3.38 -0.01 5.30 1.51 -1.12 -3.84 117.35 124.49 2edt s TYR 77 Ca 0.03 0.29 0.07 0.00 -1.01 0.00 0.00 57.07 56.44 2edt s TYR 77 Cb -0.14 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 2edt s TYR 77 CO -0.07 0.41 -0.20 -0.51 -1.11 0.00 0.00 175.55 174.07 2edt s LEU 78 N -0.23 2.42 -0.26 -1.29 1.02 0.61 -1.35 118.68 119.60 2edt s LEU 78 Ca 0.09 -0.39 0.02 0.00 0.02 0.00 0.00 54.13 53.88 2edt s LEU 78 Cb -0.12 -1.45 0.06 0.00 0.02 0.00 0.00 46.19 44.71 2edt s LEU 78 CO 0.01 0.31 -0.10 0.00 0.02 0.00 0.00 176.35 176.59 2edt s VAL 80 N 1.12 5.14 -0.72 0.00 1.01 -0.88 -2.13 120.40 123.94 2edt s VAL 80 Ca -0.09 0.93 0.04 0.00 0.00 0.00 0.00 61.98 62.87 2edt s VAL 80 Cb -0.20 -3.82 0.21 0.00 0.00 0.00 0.00 36.38 32.57 2edt s VAL 80 CO -0.05 0.23 0.67 0.00 0.00 0.00 0.00 175.10 175.96 2edt n GLY 82 N 1.54 2.08 0.07 0.00 0.00 -1.26 -3.05 105.19 104.58 2edt n GLY 82 Ca 0.24 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 2edt n GLY 82 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2edt n GLN 83 N 0.00 1.43 -2.48 1.61 1.13 -1.26 -5.01 117.38 112.80 2edt n GLN 83 Ca 0.00 -0.02 -0.24 0.00 -1.94 0.00 0.00 57.00 54.81 2edt n GLN 83 Cb 0.00 -1.39 0.09 0.00 0.11 0.00 0.00 30.24 29.05 2edt n GLN 83 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2edt s GLU 84 N -2.42 1.89 -0.19 -1.09 8.01 -1.17 -5.12 118.70 118.62 2edt s GLU 84 Ca -0.07 -0.83 -0.32 0.00 0.01 0.00 0.00 54.97 53.75 2edt s GLU 84 Cb 0.05 -2.30 0.14 0.00 -4.31 0.00 0.00 34.13 27.71 2edt s GLU 84 CO 0.63 -1.31 1.17 -0.98 0.01 0.00 0.00 175.26 174.78 2edt s ARG 85 N -5.13 0.36 0.37 1.61 1.70 -1.26 -1.07 118.95 115.53 2edt s ARG 85 Ca 0.64 -0.06 0.06 0.00 -0.47 0.00 0.00 55.73 55.90 2edt s ARG 85 Cb -0.07 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.45 2edt s ARG 85 CO 0.44 -0.14 0.24 -0.08 -1.08 0.00 0.00 175.30 174.67 2edt s THR 86 N -1.95 0.17 -0.00 4.99 -1.32 -0.90 -4.98 115.64 111.65 2edt s THR 86 Ca 0.07 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.42 2edt s THR 86 Cb -0.01 -2.42 0.02 0.00 -1.51 0.00 0.00 72.50 68.58 2edt s THR 86 CO -0.05 0.00 0.27 -0.94 -2.21 0.00 0.00 174.62 171.69 2edt s SER 87 N -3.47 -0.13 0.23 8.08 1.04 -1.26 -2.33 113.70 115.86 2edt s SER 87 Ca 0.34 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.75 2edt s SER 87 Cb 0.02 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 2edt s SER 87 CO 0.24 -0.46 0.28 0.00 0.98 0.00 0.00 173.24 174.28 2edt n ALA 88 N 1.19 0.02 -3.73 5.32 0.00 -0.46 -4.69 120.51 118.16 2edt n ALA 88 Ca -0.21 -1.17 -0.22 0.00 0.00 0.00 0.00 53.44 51.83 2edt n ALA 88 Cb 0.56 0.95 -0.17 0.00 0.00 0.00 0.00 19.45 20.79 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 -2.77 0.47 0.16 0.00 2.01 -1.26 -2.80 115.64 111.45 2edt s THR 89 Ca 0.22 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 2edt s THR 89 Cb 0.00 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 2edt s THR 89 CO 0.16 0.25 0.34 -0.22 -0.69 0.00 0.00 174.62 174.46 2edt s LEU 90 N 1.58 4.28 -0.05 4.42 2.96 -1.02 -2.32 118.68 128.52 2edt s LEU 90 Ca -0.01 0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2edt s LEU 90 Cb -0.13 -3.11 0.00 0.00 0.50 0.00 0.00 46.19 43.46 2edt s LEU 90 CO -0.04 0.02 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.96 2edt s THR 91 N -1.75 1.45 -0.07 3.68 2.01 0.86 -3.74 115.64 118.08 2edt s THR 91 Ca 0.37 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.69 2edt s THR 91 Cb -0.11 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 2edt s THR 91 CO 0.28 0.42 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.89 2edt s ILE 92 N 0.20 3.34 -0.26 1.82 -1.09 -1.26 0.73 121.20 124.68 2edt s ILE 92 Ca -0.08 -0.61 -0.04 0.00 -2.23 0.00 0.00 60.65 57.70 2edt s ILE 92 Cb -0.13 -2.35 0.01 0.00 -1.58 0.00 0.00 42.46 38.42 2edt s ILE 92 CO 0.03 0.58 -0.01 -0.13 -1.23 0.00 0.00 174.94 174.19 2edt s ARG 93 N -0.60 3.02 -0.04 2.79 1.81 0.31 -4.90 118.95 121.34 2edt s ARG 93 Ca 0.09 -0.87 -0.37 0.00 -1.72 0.00 0.00 55.73 52.86 2edt s ARG 93 Cb -0.11 -3.12 -0.15 0.00 -0.45 0.00 0.00 34.95 31.12 2edt s ARG 93 CO 0.01 -0.38 1.62 0.00 -0.68 0.00 0.00 175.30 175.88 2edt n ALA 94 N 4.76 0.12 -1.11 2.13 0.00 -1.26 -0.76 120.51 124.38 2edt n ALA 94 Ca -0.16 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 2edt n ALA 94 Cb 0.48 -2.27 0.11 0.00 0.00 0.00 0.00 19.45 17.78 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 4.43 3.01 -4.73 0.00 4.77 -1.26 -4.84 117.00 118.38 2edt n LEU 95 Ca 0.21 0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 56.33 2edt n LEU 95 Cb 0.21 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 39.87 2edt n LEU 95 CO 0.70 -2.27 1.00 -2.16 -1.33 0.00 0.00 177.39 173.34 2edt s PRO 96 N -3.73 4.37 -0.37 3.23 0.04 -1.26 -5.01 135.00 132.27 2edt s PRO 96 Ca 0.70 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.78 2edt s PRO 96 Cb -0.29 -3.22 0.12 0.00 0.04 0.00 0.00 34.50 31.14 2edt s PRO 96 CO 0.54 -0.32 0.15 -1.12 0.04 0.00 0.00 177.00 176.30 2edt s SER 97 N 0.66 3.91 0.00 6.66 0.01 -1.26 -5.07 113.70 118.61 2edt s SER 97 Ca 0.60 -2.09 0.00 0.00 1.31 0.00 0.00 55.95 55.76 2edt s SER 97 Cb -0.36 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 64.88 2edt s SER 97 CO 0.35 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2edt n GLY 98 N 4.25 0.71 3.62 3.44 0.00 -1.26 -5.07 105.19 110.88 2edt n GLY 98 Ca 0.03 0.54 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 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 3.72 -1.75 1.61 0.04 -1.26 -3.50 135.00 133.86 2edt s PRO 99 Ca 0.00 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 62.47 2edt s PRO 99 Cb 0.00 -4.06 0.15 0.00 0.04 0.00 0.00 34.50 30.63 2edt s PRO 99 CO 0.00 -1.39 0.44 -1.13 0.04 0.00 0.00 177.00 174.96 2edt n SER 100 N 8.73 -1.15 -4.05 6.66 3.41 -1.26 -4.89 113.62 121.08 2edt n SER 100 Ca 0.19 -1.22 -0.33 0.00 -0.26 0.00 0.00 58.87 57.25 2edt n SER 100 Cb 0.46 -1.80 -0.13 0.00 -0.26 0.00 0.00 64.21 62.47 2edt n SER 100 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2edt s SER 101 N -3.63 4.90 0.00 4.04 0.01 -1.23 -5.30 113.70 112.49 2edt s SER 101 Ca 0.55 -2.32 0.00 0.00 1.31 0.00 0.00 55.95 55.49 2edt s SER 101 Cb -0.32 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2edt s SER 101 CO 1.00 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.85