#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edt n SER 2 N 0.00 -0.44 -4.48 1.61 7.64 -1.26 -4.72 113.62 111.98 2edt n SER 2 Ca 0.00 1.38 -0.39 0.00 1.01 0.00 0.00 58.87 60.86 2edt n SER 2 Cb 0.00 -0.35 -0.08 0.00 -1.01 0.00 0.00 64.21 62.77 2edt n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2edt n SER 3 N -5.21 -1.06 -4.30 6.43 3.41 -1.26 -4.90 113.62 106.73 2edt n SER 3 Ca 0.10 -1.25 -0.16 0.00 -0.26 0.00 0.00 58.87 57.29 2edt n SER 3 Cb 0.34 -1.63 -0.10 0.00 -0.26 0.00 0.00 64.21 62.56 2edt n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2edt s GLY 4 N -3.58 1.46 -0.28 5.00 0.00 -1.26 -5.16 107.32 103.50 2edt s GLY 4 Ca 0.60 -1.71 -0.24 0.00 0.00 0.00 0.00 44.72 43.36 2edt s GLY 4 CO 1.02 -1.62 0.83 -0.45 0.00 0.00 0.00 173.10 172.88 2edt s SER 5 N -3.26 -0.65 -0.52 1.64 0.15 -1.26 -5.12 113.70 104.67 2edt s SER 5 Ca 0.27 1.23 -0.09 0.00 0.70 0.00 0.00 55.95 58.07 2edt s SER 5 Cb 0.06 1.25 0.13 0.00 -1.71 0.00 0.00 66.02 65.75 2edt s SER 5 CO 0.07 -0.21 0.40 -0.55 1.20 0.00 0.00 173.24 174.15 2edt s SER 6 N 0.45 5.74 0.05 5.45 0.15 -1.26 -5.07 113.70 119.21 2edt s SER 6 Ca 0.00 -2.11 0.08 0.00 0.70 0.00 0.00 55.95 54.63 2edt s SER 6 Cb -0.05 -2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 62.22 2edt s SER 6 CO -0.04 -0.64 -0.23 -0.83 1.20 0.00 0.00 173.24 172.70 2edt s GLY 7 N 2.37 1.49 1.12 9.45 0.00 -1.26 -5.14 107.32 115.35 2edt s GLY 7 Ca 0.08 -1.25 -0.16 0.00 0.00 0.00 0.00 44.72 43.39 2edt s GLY 7 CO -0.02 -1.14 1.10 2.56 0.00 0.00 0.00 173.10 175.60 2edt s PRO 8 N -1.38 -0.54 -0.26 2.90 0.04 -1.26 -5.01 135.00 129.49 2edt s PRO 8 Ca 0.13 0.17 -0.15 0.00 0.04 0.00 0.00 61.00 61.19 2edt s PRO 8 Cb -0.10 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 2edt s PRO 8 CO 0.04 -3.31 0.38 0.00 0.04 0.00 0.00 177.00 174.15 2edt s ALA 9 N -2.99 3.57 0.28 8.56 0.00 -1.26 -4.87 121.76 125.04 2edt s ALA 9 Ca 0.69 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.89 2edt s ALA 9 Cb -0.14 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 2edt s ALA 9 CO 0.57 -0.63 0.43 0.15 0.00 0.00 0.00 175.76 176.28 2edt s LYS 10 N 2.02 3.46 -0.38 0.00 -0.14 -1.26 -4.69 119.74 118.76 2edt s LYS 10 Ca 0.16 -0.56 -0.20 0.00 -1.36 0.00 0.00 55.97 54.00 2edt s LYS 10 Cb -0.16 -2.80 0.01 0.00 -1.68 0.00 0.00 37.83 33.20 2edt s LYS 10 CO 0.10 0.32 0.63 -0.06 -0.76 0.00 0.00 175.35 175.58 2edt s PHE 11 N -2.10 3.13 -0.09 3.18 0.08 -1.26 -0.69 117.98 120.23 2edt s PHE 11 Ca 0.37 0.23 -0.12 0.00 0.12 0.00 0.00 56.93 57.53 2edt s PHE 11 Cb -0.09 -3.18 -0.28 0.00 -0.57 0.00 0.00 43.02 38.90 2edt s PHE 11 CO 0.32 -0.68 0.56 1.79 -0.10 0.00 0.00 175.22 177.11 2edt h THR 12 N 5.72 0.92 0.00 0.64 1.35 -1.88 -3.42 112.91 116.24 2edt h THR 12 Ca -0.26 -2.43 -0.26 0.00 -0.55 0.00 0.00 66.41 62.91 2edt h THR 12 Cb 1.11 2.69 -0.04 0.00 -1.73 0.00 0.00 68.15 70.17 2edt h THR 12 CO 0.85 0.80 -1.91 -0.62 -0.25 0.00 0.00 175.52 174.38 2edt n GLU 13 N -3.72 0.37 -0.32 4.72 -0.58 -1.25 -5.03 120.64 114.83 2edt n GLU 13 Ca -0.26 0.12 0.04 0.00 -0.42 0.00 0.00 57.16 56.64 2edt n GLU 13 Cb 0.99 -1.20 -0.01 0.00 -0.57 0.00 0.00 31.44 30.65 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 2.35 -2.07 3.77 0.62 0.00 -1.26 -4.92 105.19 103.69 2edt n GLY 14 Ca -0.30 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 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 -5.38 3.09 -0.00 0.99 1.43 -1.26 -4.69 118.68 112.84 2edt s LEU 15 Ca 0.00 1.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.97 2edt s LEU 15 Cb 0.00 -4.53 -0.00 0.00 0.03 0.00 0.00 46.19 41.69 2edt s LEU 15 CO 0.00 -1.99 -0.05 0.00 0.23 0.00 0.00 176.35 174.55 2edt s ARG 16 N -4.77 0.37 0.15 1.70 1.70 -1.26 -4.86 118.95 111.99 2edt s ARG 16 Ca 0.62 -0.16 -0.31 0.00 -0.47 0.00 0.00 55.73 55.41 2edt s ARG 16 Cb -0.18 -0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 33.75 2edt s ARG 16 CO 0.54 0.10 1.47 0.54 -1.08 0.00 0.00 175.30 176.86 2edt s ASN 17 N -0.10 6.71 0.34 -2.89 4.22 -1.26 -4.68 114.94 117.29 2edt s ASN 17 Ca 0.02 2.49 0.04 0.00 -2.14 0.00 0.00 52.86 53.27 2edt s ASN 17 Cb -0.02 -2.59 -0.02 0.00 1.28 0.00 0.00 41.25 39.90 2edt s ASN 17 CO -0.00 -0.72 0.36 -1.83 -2.04 0.00 0.00 177.10 172.87 2edt s GLU 18 N 0.89 1.85 0.21 3.55 -1.05 -0.70 -4.95 118.70 118.51 2edt s GLU 18 Ca 0.66 -1.94 0.02 0.00 -0.15 0.00 0.00 54.97 53.56 2edt s GLU 18 Cb -0.40 0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 33.61 2edt s GLU 18 CO 0.32 -0.72 0.02 -1.83 0.95 0.00 0.00 175.26 174.00 2edt s GLU 19 N -3.23 1.26 0.13 -4.83 4.04 -1.26 -0.05 118.70 114.76 2edt s GLU 19 Ca 0.37 -1.63 -0.24 0.00 0.04 0.00 0.00 54.97 53.51 2edt s GLU 19 Cb 0.01 -0.39 0.07 0.00 0.02 0.00 0.00 34.13 33.84 2edt s GLU 19 CO 0.26 -0.15 0.63 0.00 -1.84 0.00 0.00 175.26 174.16 2edt s ALA 20 N -3.59 -1.63 0.19 -0.84 0.00 0.15 -4.86 121.76 111.18 2edt s ALA 20 Ca 0.28 0.58 -0.10 0.00 0.00 0.00 0.00 51.96 52.73 2edt s ALA 20 Cb 0.06 0.80 -0.07 0.00 0.00 0.00 0.00 23.12 23.91 2edt s ALA 20 CO 0.08 -0.74 0.51 0.08 0.00 0.00 0.00 175.76 175.69 2edt s VAL 21 N -3.57 4.96 0.31 0.00 1.01 -1.26 0.56 120.40 122.41 2edt s VAL 21 Ca 0.01 0.49 -0.28 0.00 0.00 0.00 0.00 61.98 62.20 2edt s VAL 21 Cb -0.01 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 2edt s VAL 21 CO -0.12 0.05 1.11 -0.62 0.00 0.00 0.00 175.10 175.52 2edt n GLU 22 N 0.20 1.62 0.00 2.72 1.02 -0.33 -1.29 120.64 124.58 2edt n GLU 22 Ca -0.02 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 2edt n GLU 22 Cb 0.52 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 1.06 1.95 3.18 0.62 0.00 -0.16 -4.82 105.19 107.02 2edt n GLY 23 Ca 0.08 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -5.11 -4.03 4.61 0.00 -0.41 -3.77 120.51 111.79 2edt n ALA 24 Ca 0.00 -1.54 -0.31 0.00 0.00 0.00 0.00 53.44 51.59 2edt n ALA 24 Cb 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 19.45 19.16 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 -2.16 2.24 0.81 0.00 2.01 -1.26 -2.14 115.64 115.15 2edt s THR 25 Ca 0.67 -2.14 -0.11 0.00 0.31 0.00 0.00 61.69 60.43 2edt s THR 25 Cb -0.11 -2.57 0.16 0.00 0.01 0.00 0.00 72.50 69.99 2edt s THR 25 CO 0.56 -0.43 0.37 0.00 -0.69 0.00 0.00 174.62 174.43 2edt n ALA 26 N 4.30 -2.26 -3.24 7.40 0.00 -1.26 -4.81 120.51 120.65 2edt n ALA 26 Ca -0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 53.44 52.74 2edt n ALA 26 Cb 0.42 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 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 -3.23 0.47 -0.19 0.00 1.75 -1.26 -4.22 119.30 112.62 2edt s MET 27 Ca 0.29 0.59 0.01 0.00 -1.25 0.00 0.00 55.69 55.32 2edt s MET 27 Cb -0.05 0.02 0.02 0.00 2.84 0.00 0.00 34.83 37.66 2edt s MET 27 CO 0.24 -0.81 -0.17 -0.51 -0.65 0.00 0.00 175.02 173.12 2edt s LEU 28 N 2.70 2.37 0.15 4.11 1.43 -0.72 -4.97 118.68 123.74 2edt s LEU 28 Ca 0.14 -0.70 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2edt s LEU 28 Cb -0.14 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2edt s LEU 28 CO -0.23 -0.02 -0.13 -1.66 0.23 0.00 0.00 176.35 174.54 2edt s TRP 29 N 1.29 1.41 -0.15 0.29 1.48 -1.26 -0.26 118.94 121.75 2edt s TRP 29 Ca 0.04 -0.64 -0.25 0.00 -1.06 0.00 0.00 56.10 54.18 2edt s TRP 29 Cb -0.14 -0.71 0.06 0.00 -1.16 0.00 0.00 33.47 31.53 2edt s TRP 29 CO -0.11 0.17 0.63 0.00 -4.06 0.00 0.00 176.95 173.58 2edt s GLU 31 N -0.38 3.45 0.01 0.00 2.02 -1.26 -0.71 118.70 121.83 2edt s GLU 31 Ca -0.05 -0.65 -0.02 0.00 0.02 0.00 0.00 54.97 54.27 2edt s GLU 31 Cb -0.03 -2.86 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 2edt s GLU 31 CO 0.05 0.39 0.02 -0.51 0.02 0.00 0.00 175.26 175.23 2edt s LEU 32 N -3.92 2.01 0.56 1.80 1.43 -0.79 -3.10 118.68 116.68 2edt s LEU 32 Ca 0.35 -0.30 0.38 0.00 -1.03 0.00 0.00 54.13 53.53 2edt s LEU 32 Cb -0.09 0.21 1.50 0.00 0.03 0.00 0.00 46.19 47.85 2edt s LEU 32 CO 0.30 -0.24 1.69 -1.28 0.23 0.00 0.00 176.35 177.05 2edt h SER 33 N 4.95 0.00 -3.25 2.29 0.87 -1.25 -3.40 113.55 113.77 2edt h SER 33 Ca -0.30 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.28 2edt h SER 33 Cb 1.21 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.94 2edt h SER 33 CO 0.43 0.00 0.14 -1.59 -0.53 0.00 0.00 176.83 175.28 2edt s LYS 34 N -4.81 0.69 0.05 2.24 -2.85 -1.26 -4.97 119.74 108.81 2edt s LYS 34 Ca -0.05 1.03 -0.37 0.00 -1.00 0.00 0.00 55.97 55.58 2edt s LYS 34 Cb 0.22 0.22 -0.19 0.00 -2.06 0.00 0.00 37.83 36.02 2edt s LYS 34 CO 0.75 -0.12 1.01 1.55 0.10 0.00 0.00 175.35 178.64 2edt n VAL 35 N 3.57 0.37 -3.44 1.79 3.14 -1.26 -4.76 118.33 117.74 2edt n VAL 35 Ca -0.17 -0.09 -0.13 0.00 -2.96 0.00 0.00 64.34 60.98 2edt n VAL 35 Cb 0.57 -0.12 -0.03 0.00 -1.06 0.00 0.00 33.84 33.21 2edt n VAL 35 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2edt s ALA 36 N -0.13 -1.61 -0.45 1.55 0.00 -1.26 -4.95 121.76 114.91 2edt s ALA 36 Ca 0.85 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 53.14 2edt s ALA 36 Cb -1.17 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 2edt s ALA 36 CO 0.56 -0.70 1.76 -1.25 0.00 0.00 0.00 175.76 176.13 2edt s PRO 37 N -3.33 3.10 0.61 0.00 0.04 -1.26 -4.99 135.00 129.16 2edt s PRO 37 Ca -0.01 1.04 -0.03 0.00 0.04 0.00 0.00 61.00 62.04 2edt s PRO 37 Cb -0.01 -4.25 0.04 0.00 0.04 0.00 0.00 34.50 30.33 2edt s PRO 37 CO -0.09 -2.15 0.88 0.14 0.04 0.00 0.00 177.00 175.81 2edt s VAL 38 N 7.51 2.74 -0.21 -0.36 -7.23 -1.26 -4.51 120.40 117.08 2edt s VAL 38 Ca 0.72 -0.42 -0.04 0.00 -1.81 0.00 0.00 61.98 60.43 2edt s VAL 38 Cb -0.17 -3.09 0.08 0.00 0.56 0.00 0.00 36.38 33.75 2edt s VAL 38 CO 0.28 -0.08 0.14 -1.61 -0.31 0.00 0.00 175.10 173.53 2edt s GLU 39 N -4.96 0.14 0.10 4.82 2.02 0.19 -4.96 118.70 116.04 2edt s GLU 39 Ca 0.57 -0.10 -0.29 0.00 0.02 0.00 0.00 54.97 55.18 2edt s GLU 39 Cb -0.10 -1.47 -0.06 0.00 0.10 0.00 0.00 34.13 32.60 2edt s GLU 39 CO 0.42 -0.76 0.90 -1.58 0.02 0.00 0.00 175.26 174.26 2edt s TRP 40 N 2.19 3.80 0.04 1.61 0.52 -1.26 -0.54 118.94 125.31 2edt s TRP 40 Ca 0.05 1.71 -0.08 0.00 0.02 0.00 0.00 56.10 57.80 2edt s TRP 40 Cb -0.16 -2.98 -0.00 0.00 -1.15 0.00 0.00 33.47 29.18 2edt s TRP 40 CO -0.17 0.24 0.16 1.03 0.02 0.00 0.00 176.95 178.23 2edt s ARG 41 N -0.08 0.68 -0.55 4.98 0.52 0.54 -2.61 118.95 122.43 2edt s ARG 41 Ca 0.44 -0.71 0.04 0.00 -0.52 0.00 0.00 55.73 54.98 2edt s ARG 41 Cb -0.23 0.27 0.15 0.00 0.52 0.00 0.00 34.95 35.66 2edt s ARG 41 CO 0.28 -0.19 0.33 0.21 0.02 0.00 0.00 175.30 175.95 2edt s LYS 42 N -2.73 1.88 4.80 3.54 2.20 -1.15 -0.16 119.74 128.11 2edt s LYS 42 Ca -0.04 -2.65 0.00 0.00 -0.36 0.00 0.00 55.97 52.92 2edt s LYS 42 Cb -0.00 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 2edt s LYS 42 CO -0.05 -1.19 0.00 0.41 -0.36 0.00 0.00 175.35 174.16 2edt n GLY 43 N 2.86 3.46 0.00 5.54 0.00 -1.25 0.16 105.19 115.96 2edt n GLY 43 Ca 0.12 0.23 0.07 0.00 0.00 0.00 0.00 46.02 46.44 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 13.80 0.03 -3.06 1.61 -0.04 -1.26 -4.76 135.00 141.32 2edt n PRO 44 Ca 0.00 0.24 -0.21 0.00 -0.04 0.00 0.00 63.50 63.49 2edt n PRO 44 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 2edt n PRO 44 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2edt s GLU 45 N -2.94 2.97 -0.23 0.54 0.41 0.12 -5.10 118.70 114.47 2edt s GLU 45 Ca 0.08 -0.75 -0.01 0.00 -0.41 0.00 0.00 54.97 53.87 2edt s GLU 45 Cb 0.09 -2.64 0.07 0.00 -1.78 0.00 0.00 34.13 29.87 2edt s GLU 45 CO 0.25 -0.26 0.01 0.54 -0.49 0.00 0.00 175.26 175.32 2edt s ASN 46 N -4.25 3.49 0.38 -0.19 2.20 -1.26 -2.95 114.94 112.37 2edt s ASN 46 Ca 0.50 -1.12 0.01 0.00 -0.94 0.00 0.00 52.86 51.31 2edt s ASN 46 Cb -0.10 -0.88 -0.02 0.00 -2.00 0.00 0.00 41.25 38.25 2edt s ASN 46 CO 0.36 -0.30 0.58 -0.76 -2.94 0.00 0.00 177.10 174.04 2edt s LEU 47 N 1.62 3.87 -0.09 3.54 1.43 -1.07 -4.94 118.68 123.04 2edt s LEU 47 Ca -0.01 0.29 -0.32 0.00 -1.03 0.00 0.00 54.13 53.06 2edt s LEU 47 Cb -0.18 -3.16 0.13 0.00 0.03 0.00 0.00 46.19 43.01 2edt s LEU 47 CO -0.10 -0.47 1.23 0.00 0.23 0.00 0.00 176.35 177.25 2edt s ARG 48 N -4.38 0.39 -0.57 1.70 1.70 -1.26 -4.40 118.95 112.14 2edt s ARG 48 Ca 0.44 -0.19 -0.29 0.00 -0.47 0.00 0.00 55.73 55.22 2edt s ARG 48 Cb -0.10 0.15 -0.11 0.00 -0.57 0.00 0.00 34.95 34.32 2edt s ARG 48 CO 0.36 -0.18 2.43 -0.40 -1.08 0.00 0.00 175.30 176.43 2edt n ASP 49 N -0.31 1.85 -4.23 -2.89 5.75 -1.26 -4.70 116.55 110.77 2edt n ASP 49 Ca -0.04 -0.11 -0.13 0.00 -0.01 0.00 0.00 54.79 54.49 2edt n ASP 49 Cb 0.61 -1.36 -0.10 0.00 -1.03 0.00 0.00 41.12 39.24 2edt n ASP 49 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2edt s GLY 50 N 10.22 1.47 0.14 6.12 0.00 -0.46 -5.00 107.32 119.82 2edt s GLY 50 Ca 1.10 -1.72 -0.31 0.00 0.00 0.00 0.00 44.72 43.79 2edt s GLY 50 CO 0.37 -1.45 1.55 -1.80 0.00 0.00 0.00 173.10 171.77 2edt h ASP 51 N 2.58 -1.84 -0.41 1.64 1.82 -2.02 -1.36 116.42 116.84 2edt h ASP 51 Ca -0.37 0.26 -0.06 0.00 -0.39 0.00 0.00 57.03 56.47 2edt h ASP 51 Cb 1.24 0.78 -0.01 0.00 0.68 0.00 0.00 39.33 42.02 2edt h ASP 51 CO 0.56 -0.36 0.02 0.08 -1.61 0.00 0.00 179.24 177.92 2edt h ARG 52 N -0.29 0.70 -5.60 0.28 0.11 -1.95 -3.39 114.38 104.24 2edt h ARG 52 Ca 0.11 -0.22 -0.62 0.00 0.10 0.00 0.00 59.98 59.36 2edt h ARG 52 Cb 0.56 -0.07 -0.13 0.00 1.11 0.00 0.00 29.97 31.44 2edt h ARG 52 CO -0.68 0.78 0.61 0.71 0.10 0.00 0.00 179.97 181.49 2edt s TYR 53 N -5.04 2.63 -0.75 4.08 2.02 -0.51 -2.65 117.35 117.13 2edt s TYR 53 Ca -0.13 -0.43 -0.24 0.00 -0.37 0.00 0.00 57.07 55.90 2edt s TYR 53 Cb 0.10 -4.31 0.06 0.00 -0.40 0.00 0.00 41.96 37.41 2edt s TYR 53 CO 0.79 -1.68 1.14 0.42 -1.57 0.00 0.00 175.55 174.65 2edt s ILE 54 N 4.27 4.12 0.04 2.71 1.01 -0.33 -1.35 121.20 131.66 2edt s ILE 54 Ca 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 2edt s ILE 54 Cb -0.15 -4.81 -0.04 0.00 0.01 0.00 0.00 42.46 37.46 2edt s ILE 54 CO 0.12 -1.65 0.24 -0.76 0.00 0.00 0.00 174.94 172.89 2edt s LEU 55 N 4.59 4.35 0.02 2.97 1.02 -1.26 -0.79 118.68 129.58 2edt s LEU 55 Ca 0.30 0.41 -0.14 0.00 0.02 0.00 0.00 54.13 54.72 2edt s LEU 55 Cb -0.11 -2.84 0.02 0.00 0.02 0.00 0.00 46.19 43.28 2edt s LEU 55 CO 0.08 0.20 0.30 -0.13 0.02 0.00 0.00 176.35 176.82 2edt s ARG 56 N -2.18 0.75 -0.19 1.70 0.52 0.48 -5.01 118.95 115.01 2edt s ARG 56 Ca 0.32 -0.40 -0.04 0.00 -0.52 0.00 0.00 55.73 55.09 2edt s ARG 56 Cb -0.13 0.33 0.09 0.00 0.52 0.00 0.00 34.95 35.76 2edt s ARG 56 CO 0.22 -0.23 0.21 -1.14 0.02 0.00 0.00 175.30 174.39 2edt s GLN 57 N -2.11 0.18 -0.68 3.54 0.74 -1.26 -0.40 119.66 119.66 2edt s GLN 57 Ca -0.08 0.23 -0.01 0.00 0.05 0.00 0.00 55.36 55.55 2edt s GLN 57 Cb -0.02 -1.14 0.42 0.00 1.10 0.00 0.00 33.01 33.37 2edt s GLN 57 CO -0.01 -0.62 1.93 0.39 -0.55 0.00 0.00 175.29 176.43 2edt n GLU 58 N 5.32 2.82 0.00 1.67 1.02 -1.00 -5.01 120.64 125.46 2edt n GLU 58 Ca -0.05 -3.48 0.00 0.00 -0.02 0.00 0.00 57.16 53.60 2edt n GLU 58 Cb 0.50 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 2edt n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2edt n GLY 59 N -0.77 0.58 0.25 0.62 0.00 -1.26 -4.51 105.19 100.11 2edt n GLY 59 Ca 0.58 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 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 1.24 -3.20 2.61 1.35 -1.89 -3.39 112.91 109.63 2edt h THR 60 Ca 0.00 -1.11 -0.58 0.00 -0.55 0.00 0.00 66.41 64.17 2edt h THR 60 Cb 0.00 1.18 -0.04 0.00 -1.73 0.00 0.00 68.15 67.56 2edt h THR 60 CO 0.00 0.36 -0.07 -0.60 -0.25 0.00 0.00 175.52 174.96 2edt s ARG 61 N -4.68 4.13 0.52 4.72 3.52 -1.26 -1.88 118.95 124.03 2edt s ARG 61 Ca -0.07 0.66 0.05 0.00 -0.13 0.00 0.00 55.73 56.24 2edt s ARG 61 Cb 0.14 -3.21 0.02 0.00 -1.56 0.00 0.00 34.95 30.35 2edt s ARG 61 CO 0.79 0.64 0.34 0.00 -0.81 0.00 0.00 175.30 176.25 2edt s GLU 63 N -4.20 0.56 -0.09 0.00 2.02 0.46 -3.53 118.70 113.92 2edt s GLU 63 Ca 0.32 1.02 0.01 0.00 0.02 0.00 0.00 54.97 56.35 2edt s GLU 63 Cb -0.01 0.07 0.02 0.00 0.10 0.00 0.00 34.13 34.30 2edt s GLU 63 CO 0.20 -0.15 -0.12 -1.17 0.02 0.00 0.00 175.26 174.03 2edt s LEU 64 N 1.54 1.53 -0.18 1.80 2.96 0.64 -0.39 118.68 126.59 2edt s LEU 64 Ca -0.10 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2edt s LEU 64 Cb -0.07 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.73 2edt s LEU 64 CO -0.17 -0.02 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.56 2edt s GLN 65 N 1.08 3.05 -0.87 1.98 -0.21 0.03 -1.76 119.66 122.97 2edt s GLN 65 Ca -0.06 -0.81 -0.16 0.00 0.02 0.00 0.00 55.36 54.35 2edt s GLN 65 Cb -0.15 -2.60 0.19 0.00 1.00 0.00 0.00 33.01 31.46 2edt s GLN 65 CO -0.02 -0.16 0.90 0.42 -2.12 0.00 0.00 175.29 174.31 2edt s ILE 66 N 1.19 5.31 -0.06 1.08 1.01 -1.26 -1.19 121.20 127.27 2edt s ILE 66 Ca 0.02 -2.17 -0.30 0.00 0.00 0.00 0.00 60.65 58.21 2edt s ILE 66 Cb -0.14 -4.58 -0.06 0.00 0.01 0.00 0.00 42.46 37.69 2edt s ILE 66 CO -0.09 -1.20 1.79 0.00 0.00 0.00 0.00 174.94 175.44 2edt n GLY 68 N 4.46 0.44 3.79 0.00 0.00 -1.24 -4.87 105.19 107.77 2edt n GLY 68 Ca 0.19 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.87 3.29 -0.09 0.99 1.43 -0.91 -4.79 118.68 117.73 2edt s LEU 69 Ca 0.00 1.85 -0.30 0.00 -1.03 0.00 0.00 54.13 54.65 2edt s LEU 69 Cb 0.00 -4.53 0.11 0.00 0.03 0.00 0.00 46.19 41.80 2edt s LEU 69 CO 0.00 -1.58 0.95 0.00 0.23 0.00 0.00 176.35 175.96 2edt s ALA 70 N -2.62 -1.89 0.32 4.21 0.00 -1.26 -0.99 121.76 119.54 2edt s ALA 70 Ca 0.63 1.31 0.17 0.00 0.00 0.00 0.00 51.96 54.07 2edt s ALA 70 Cb -0.17 -0.10 1.16 0.00 0.00 0.00 0.00 23.12 24.00 2edt s ALA 70 CO 0.46 -0.52 1.40 -1.33 0.00 0.00 0.00 175.76 175.77 2edt n MET 71 N 0.20 -0.05 0.07 0.00 2.81 -1.26 0.11 117.12 119.00 2edt n MET 71 Ca -0.09 1.23 -0.13 0.00 -1.81 0.00 0.00 57.70 56.91 2edt n MET 71 Cb 0.60 -2.19 -0.07 0.00 -0.71 0.00 0.00 33.22 30.85 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 1.77 -0.09 -0.98 3.04 0.00 -2.00 -2.63 119.26 118.38 2edt h ALA 72 Ca 0.74 -0.02 0.40 0.00 0.00 0.00 0.00 54.91 56.02 2edt h ALA 72 Cb 1.93 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 19.57 2edt h ALA 72 CO -0.69 -0.54 0.48 -3.47 0.00 0.00 0.00 179.25 175.02 2edt n ASP 73 N -5.12 0.30 -4.68 0.00 2.03 0.31 -4.38 116.55 105.00 2edt n ASP 73 Ca -0.08 1.63 -0.50 0.00 0.52 0.00 0.00 54.79 56.36 2edt n ASP 73 Cb 0.07 -0.77 -0.05 0.00 -0.72 0.00 0.00 41.12 39.64 2edt n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2edt n ALA 74 N -2.36 0.66 0.00 -1.67 0.00 -0.99 -4.75 120.51 111.39 2edt n ALA 74 Ca 0.36 0.34 0.00 0.00 0.00 0.00 0.00 53.44 54.14 2edt n ALA 74 Cb 1.21 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 4.11 -0.85 2.76 0.00 0.00 -1.19 -5.00 105.19 105.02 2edt n GLY 75 Ca 0.22 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.07 0.81 0.16 1.61 2.12 -1.26 -2.02 118.70 120.05 2edt s GLU 76 Ca 0.00 -0.89 -0.20 0.00 0.36 0.00 0.00 54.97 54.24 2edt s GLU 76 Cb 0.00 -2.11 -0.08 0.00 0.26 0.00 0.00 34.13 32.21 2edt s GLU 76 CO 0.00 -0.84 0.67 0.71 -0.54 0.00 0.00 175.26 175.25 2edt s TYR 77 N 1.65 3.75 0.06 5.30 1.51 -0.95 -3.97 117.35 124.70 2edt s TYR 77 Ca 0.05 1.37 0.07 0.00 -1.01 0.00 0.00 57.07 57.55 2edt s TYR 77 Cb -0.17 -2.59 -0.03 0.00 -0.11 0.00 0.00 41.96 39.06 2edt s TYR 77 CO -0.18 0.46 -0.19 -0.51 -1.11 0.00 0.00 175.55 174.03 2edt s LEU 78 N -1.53 2.20 -0.28 -1.29 1.02 0.77 -0.87 118.68 118.70 2edt s LEU 78 Ca 0.37 -0.54 0.01 0.00 0.02 0.00 0.00 54.13 53.99 2edt s LEU 78 Cb -0.19 -0.83 0.08 0.00 0.02 0.00 0.00 46.19 45.27 2edt s LEU 78 CO 0.21 0.09 -0.00 0.00 0.02 0.00 0.00 176.35 176.67 2edt s VAL 80 N 1.31 5.13 -0.44 0.00 1.01 0.30 -2.43 120.40 125.28 2edt s VAL 80 Ca 0.01 1.04 0.03 0.00 0.00 0.00 0.00 61.98 63.06 2edt s VAL 80 Cb -0.19 -3.86 0.15 0.00 0.00 0.00 0.00 36.38 32.48 2edt s VAL 80 CO -0.10 0.26 0.30 0.00 0.00 0.00 0.00 175.10 175.56 2edt n GLY 82 N 3.21 1.64 0.00 0.00 0.00 -1.26 -3.57 105.19 105.21 2edt n GLY 82 Ca 0.19 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.88 2edt n GLY 82 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2edt n GLN 83 N 0.00 0.50 -3.98 1.61 -0.06 -1.26 -5.03 117.38 109.16 2edt n GLN 83 Ca 0.00 -0.02 -0.33 0.00 -2.00 0.00 0.00 57.00 54.66 2edt n GLN 83 Cb 0.00 -1.05 -0.05 0.00 -4.06 0.00 0.00 30.24 25.07 2edt n GLN 83 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2edt s GLU 84 N -2.14 3.28 -0.08 3.69 0.41 -1.23 -5.11 118.70 117.51 2edt s GLU 84 Ca -0.01 -0.42 -0.09 0.00 -0.41 0.00 0.00 54.97 54.04 2edt s GLU 84 Cb 0.01 -2.98 0.02 0.00 -1.78 0.00 0.00 34.13 29.40 2edt s GLU 84 CO 0.09 0.65 0.24 -0.98 -0.49 0.00 0.00 175.26 174.77 2edt s ARG 85 N -2.02 0.34 0.07 1.61 1.70 -1.26 -1.12 118.95 118.28 2edt s ARG 85 Ca 0.27 0.24 0.09 0.00 -0.47 0.00 0.00 55.73 55.86 2edt s ARG 85 Cb -0.12 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.38 2edt s ARG 85 CO 0.19 -0.05 -0.22 -0.08 -1.08 0.00 0.00 175.30 174.06 2edt s THR 86 N -0.12 2.54 0.17 4.99 -1.32 -1.02 -4.94 115.64 115.93 2edt s THR 86 Ca -0.02 -1.40 0.11 0.00 -1.21 0.00 0.00 61.69 59.16 2edt s THR 86 Cb -0.03 -2.08 -0.04 0.00 -1.51 0.00 0.00 72.50 68.84 2edt s THR 86 CO 0.01 0.26 -0.24 -0.94 -2.21 0.00 0.00 174.62 171.49 2edt s SER 87 N -1.63 3.46 0.28 8.08 1.04 -1.26 -0.92 113.70 122.75 2edt s SER 87 Ca 0.14 -0.79 -0.02 0.00 0.48 0.00 0.00 55.95 55.76 2edt s SER 87 Cb -0.10 -0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.72 2edt s SER 87 CO 0.05 0.14 0.34 0.00 0.98 0.00 0.00 173.24 174.76 2edt s ALA 88 N -1.42 0.94 -0.10 5.32 0.00 -0.05 -4.77 121.76 121.68 2edt s ALA 88 Ca 0.18 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.59 2edt s ALA 88 Cb -0.09 1.28 0.01 0.00 0.00 0.00 0.00 23.12 24.32 2edt s ALA 88 CO 0.09 -0.72 -0.17 0.99 0.00 0.00 0.00 175.76 175.95 2edt s THR 89 N -3.62 1.59 0.06 0.00 2.01 -1.26 -2.24 115.64 112.18 2edt s THR 89 Ca 0.34 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.67 2edt s THR 89 Cb 0.02 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 2edt s THR 89 CO 0.18 0.46 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.33 2edt s LEU 90 N 0.83 3.43 0.03 4.42 2.96 -0.86 -1.72 118.68 127.78 2edt s LEU 90 Ca -0.10 -0.15 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 2edt s LEU 90 Cb -0.16 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 2edt s LEU 90 CO 0.01 0.21 -0.24 -0.89 -1.32 0.00 0.00 176.35 174.12 2edt s THR 91 N -1.23 1.90 -0.05 3.68 2.01 0.93 -3.17 115.64 119.70 2edt s THR 91 Ca 0.24 -1.24 0.05 0.00 0.31 0.00 0.00 61.69 61.04 2edt s THR 91 Cb -0.12 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 2edt s THR 91 CO 0.16 0.33 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.58 2edt s ILE 92 N -0.75 2.51 -0.32 1.82 -1.09 -1.26 0.33 121.20 122.44 2edt s ILE 92 Ca 0.10 -0.92 -0.07 0.00 -2.23 0.00 0.00 60.65 57.53 2edt s ILE 92 Cb -0.09 -1.94 0.02 0.00 -1.58 0.00 0.00 42.46 38.86 2edt s ILE 92 CO 0.01 0.58 0.10 -0.13 -1.23 0.00 0.00 174.94 174.27 2edt s ARG 93 N -0.43 2.90 0.03 2.79 1.81 0.19 -4.92 118.95 121.32 2edt s ARG 93 Ca 0.05 -0.99 -0.32 0.00 -1.72 0.00 0.00 55.73 52.74 2edt s ARG 93 Cb -0.12 -3.44 -0.11 0.00 -0.45 0.00 0.00 34.95 30.84 2edt s ARG 93 CO 0.01 -0.55 1.87 0.00 -0.68 0.00 0.00 175.30 175.96 2edt n ALA 94 N 4.86 1.47 -1.19 2.13 0.00 -1.26 -1.19 120.51 125.33 2edt n ALA 94 Ca -0.14 0.28 -0.35 0.00 0.00 0.00 0.00 53.44 53.24 2edt n ALA 94 Cb 0.47 -2.57 0.09 0.00 0.00 0.00 0.00 19.45 17.44 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 6.36 2.31 -4.61 0.00 4.77 -1.26 -4.86 117.00 119.71 2edt n LEU 95 Ca 0.20 0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 56.33 2edt n LEU 95 Cb 0.35 -1.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.07 2edt n LEU 95 CO 0.69 -2.54 1.43 -2.16 -1.33 0.00 0.00 177.39 173.48 2edt s PRO 96 N -3.36 3.52 -0.25 3.23 0.04 -1.26 -4.96 135.00 131.96 2edt s PRO 96 Ca 0.68 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 2edt s PRO 96 Cb -0.32 -4.12 0.13 0.00 0.04 0.00 0.00 34.50 30.23 2edt s PRO 96 CO 0.55 -1.63 0.32 -1.12 0.04 0.00 0.00 177.00 175.16 2edt s SER 97 N 5.14 0.95 0.00 6.66 0.01 -1.26 -4.90 113.70 120.30 2edt s SER 97 Ca 0.74 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2edt s SER 97 Cb -0.22 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.78 2edt s SER 97 CO 0.32 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2edt n GLY 98 N 5.34 1.62 0.00 3.44 0.00 -1.26 -4.85 105.19 109.48 2edt n GLY 98 Ca -0.03 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.60 2edt n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edt n PRO 99 N 0.00 0.49 -0.26 1.61 -0.04 -1.26 -4.06 135.00 131.48 2edt n PRO 99 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2edt n PRO 99 Cb 0.00 -1.38 0.15 0.00 -0.04 0.00 0.00 33.50 32.23 2edt n PRO 99 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2edt n SER 100 N -0.88 -0.19 -4.67 3.54 7.64 -1.26 -4.33 113.62 113.47 2edt n SER 100 Ca 0.09 1.25 -0.23 0.00 1.01 0.00 0.00 58.87 60.98 2edt n SER 100 Cb 0.04 -0.41 -0.07 0.00 -1.01 0.00 0.00 64.21 62.76 2edt n SER 100 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2edt s SER 101 N -5.11 4.72 0.00 6.43 1.04 -1.26 -5.15 113.70 114.37 2edt s SER 101 Ca -0.10 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2edt s SER 101 Cb 0.20 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 65.37 2edt s SER 101 CO 0.57 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.41