#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gif s PRO 2 N 0.00 2.25 -0.07 3.17 0.02 -1.21 -4.47 135.00 134.70 1gif s PRO 2 Ca 0.00 -1.31 0.01 0.00 0.02 0.00 0.00 61.00 59.73 1gif s PRO 2 Cb 0.00 -2.20 0.02 0.00 0.02 0.00 0.00 34.50 32.33 1gif s PRO 2 CO 0.00 0.40 -0.08 -1.64 -0.33 0.00 0.00 177.00 175.35 1gif s MET 3 N -3.27 1.35 -0.10 5.54 -1.94 -0.19 -0.70 119.30 119.99 1gif s MET 3 Ca 0.29 -0.26 0.02 0.00 -1.71 0.00 0.00 55.69 54.02 1gif s MET 3 Cb -0.08 -1.24 0.01 0.00 2.01 0.00 0.00 34.83 35.53 1gif s MET 3 CO 0.18 -0.08 -0.15 0.12 -0.01 0.00 0.00 175.02 175.09 1gif s PHE 4 N 1.00 1.94 -0.04 -0.03 5.36 -0.14 -0.32 117.98 125.75 1gif s PHE 4 Ca -0.09 -0.89 0.06 0.00 -0.96 0.00 0.00 56.93 55.05 1gif s PHE 4 Cb -0.15 -1.40 -0.01 0.00 -0.34 0.00 0.00 43.02 41.12 1gif s PHE 4 CO 0.00 -0.46 -0.23 0.42 -1.46 0.00 0.00 175.22 173.49 1gif s ILE 5 N 0.94 1.88 -0.12 3.12 -1.09 -0.44 -1.28 121.20 124.22 1gif s ILE 5 Ca -0.08 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.36 1gif s ILE 5 Cb -0.15 -1.58 0.02 0.00 -1.58 0.00 0.00 42.46 39.17 1gif s ILE 5 CO -0.01 0.53 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.40 1gif s VAL 6 N -0.33 1.46 -0.13 2.92 1.01 -0.33 -1.69 120.40 123.32 1gif s VAL 6 Ca 0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1gif s VAL 6 Cb -0.11 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1gif s VAL 6 CO 0.01 0.44 -0.08 0.20 0.00 0.00 0.00 175.10 175.67 1gif s ASN 7 N 1.24 4.50 0.08 3.32 0.01 0.26 -0.01 114.94 124.34 1gif s ASN 7 Ca -0.01 -0.17 -0.15 0.00 -0.71 0.00 0.00 52.86 51.82 1gif s ASN 7 Cb -0.14 -1.58 0.03 0.00 0.41 0.00 0.00 41.25 39.96 1gif s ASN 7 CO -0.05 0.21 0.35 0.28 -1.51 0.00 0.00 177.10 176.38 1gif s THR 8 N 0.10 0.08 -2.12 1.60 -1.32 0.09 -1.18 115.64 112.89 1gif s THR 8 Ca -0.03 -0.65 0.29 0.00 -1.21 0.00 0.00 61.69 60.09 1gif s THR 8 Cb -0.14 -1.07 0.56 0.00 -1.51 0.00 0.00 72.50 70.35 1gif s THR 8 CO 0.03 -0.36 1.84 -0.46 -2.21 0.00 0.00 174.62 173.46 1gif n ASN 9 N 0.22 0.93 -4.77 8.08 6.94 -1.22 -1.10 115.26 124.35 1gif n ASN 9 Ca -0.17 -1.13 -0.36 0.00 -0.02 0.00 0.00 54.58 52.90 1gif n ASN 9 Cb 0.61 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 1gif n ASN 9 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1gif s VAL 10 N -2.17 3.01 0.54 3.53 1.01 -1.26 -4.20 120.40 120.86 1gif s VAL 10 Ca 0.36 0.69 -0.20 0.00 0.00 0.00 0.00 61.98 62.84 1gif s VAL 10 Cb 0.21 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 1gif s VAL 10 CO 0.40 -0.07 1.12 -2.16 0.00 0.00 0.00 175.10 174.38 1gif s PRO 11 N -3.00 3.41 0.27 2.72 0.04 -1.26 -0.58 135.00 136.60 1gif s PRO 11 Ca 0.69 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1gif s PRO 11 Cb -0.28 -2.02 0.56 0.00 0.04 0.00 0.00 34.50 32.81 1gif s PRO 11 CO 0.32 -0.80 1.78 -0.09 0.04 0.00 0.00 177.00 178.26 1gif h ARG 12 N 1.23 0.70 0.00 4.56 9.65 -1.92 0.21 114.38 128.81 1gif h ARG 12 Ca -0.50 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.34 1gif h ARG 12 Cb 1.26 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1gif h ARG 12 CO 0.57 0.46 0.00 0.00 2.80 0.00 0.00 179.97 183.80 1gif n ALA 13 N -2.39 1.19 1.03 2.80 0.00 -1.26 -0.76 120.51 121.13 1gif n ALA 13 Ca 0.18 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.87 1gif n ALA 13 Cb 0.43 -1.27 0.26 0.00 0.00 0.00 0.00 19.45 18.87 1gif n ALA 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gif n SER 14 N -2.08 2.54 -4.60 0.00 7.64 0.73 -4.80 113.62 113.04 1gif n SER 14 Ca -0.00 -1.83 -0.41 0.00 1.01 0.00 0.00 58.87 57.63 1gif n SER 14 Cb 0.07 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.15 1gif n SER 14 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1gif s VAL 15 N -1.88 4.94 0.73 0.44 1.01 0.06 -4.82 120.40 120.89 1gif s VAL 15 Ca 0.33 0.91 -0.16 0.00 0.00 0.00 0.00 61.98 63.06 1gif s VAL 15 Cb 0.20 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1gif s VAL 15 CO 0.31 -0.12 1.04 -2.65 0.00 0.00 0.00 175.10 173.68 1gif n PRO 16 N 5.86 0.50 0.18 2.72 -0.02 -1.26 -4.93 135.00 138.06 1gif n PRO 16 Ca -0.01 0.23 0.04 0.00 -2.02 0.00 0.00 63.50 61.74 1gif n PRO 16 Cb 0.49 -2.29 0.35 0.00 -0.02 0.00 0.00 33.50 32.02 1gif n PRO 16 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1gif h ASP 17 N -0.32 0.00 -0.60 2.55 3.32 -1.97 -2.73 116.42 116.68 1gif h ASP 17 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1gif h ASP 17 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1gif h ASP 17 CO 0.47 0.40 0.00 0.61 -1.72 0.00 0.00 179.24 179.00 1gif n GLY 18 N -0.06 2.26 0.23 2.75 0.00 -1.26 -4.50 105.19 104.60 1gif n GLY 18 Ca -0.01 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 1gif n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1gif h PHE 19 N 3.65 0.42 -0.62 1.61 3.57 -1.85 0.25 116.94 123.97 1gif h PHE 19 Ca 0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1gif h PHE 19 Cb 1.16 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 1gif h PHE 19 CO 0.60 0.14 0.16 -0.07 -2.23 0.00 0.00 178.31 176.91 1gif h LEU 20 N 0.43 0.93 -0.60 0.59 4.07 -1.83 -0.28 115.31 118.62 1gif h LEU 20 Ca 0.28 -0.23 -0.09 0.00 0.08 0.00 0.00 57.88 57.93 1gif h LEU 20 Cb 0.31 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1gif h LEU 20 CO -0.26 0.91 0.02 0.28 -1.08 0.00 0.00 178.44 178.31 1gif h SER 21 N 0.90 1.02 0.00 -0.43 0.02 -1.74 -0.48 113.55 112.84 1gif h SER 21 Ca 0.20 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1gif h SER 21 Cb 0.34 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1gif h SER 21 CO -0.00 1.07 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.67 1gif h GLU 22 N 0.94 -0.00 -0.97 3.45 4.81 -0.18 -0.99 114.58 121.64 1gif h GLU 22 Ca 0.17 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1gif h GLU 22 Cb 0.53 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 1gif h GLU 22 CO 0.03 0.03 0.64 -0.07 -0.73 0.00 0.00 179.01 178.90 1gif h LEU 23 N -0.04 1.10 -0.26 1.64 3.38 -0.91 -1.65 115.31 118.57 1gif h LEU 23 Ca -0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1gif h LEU 23 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1gif h LEU 23 CO 0.00 0.78 0.13 0.74 0.09 0.00 0.00 178.44 180.18 1gif h THR 24 N 1.29 1.00 -0.40 0.22 2.02 -0.62 -0.12 112.91 116.30 1gif h THR 24 Ca 0.36 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.42 1gif h THR 24 Cb -0.11 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1gif h THR 24 CO -0.09 0.05 0.13 1.56 0.37 0.00 0.00 175.52 177.54 1gif h GLN 25 N 0.27 0.62 -0.69 6.66 1.08 -0.88 -1.71 115.11 120.47 1gif h GLN 25 Ca 0.11 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1gif h GLN 25 Cb 0.03 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 1gif h GLN 25 CO -0.07 0.62 0.18 1.96 -0.95 0.00 0.00 178.83 180.57 1gif h GLN 26 N 0.50 1.10 -0.09 1.46 1.08 -1.15 -2.01 115.11 116.00 1gif h GLN 26 Ca 0.13 -0.26 -0.12 0.00 -1.45 0.00 0.00 58.65 56.95 1gif h GLN 26 Cb 0.26 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1gif h GLN 26 CO -0.00 0.97 -0.50 -0.07 -0.95 0.00 0.00 178.83 178.28 1gif h LEU 27 N 1.03 0.26 -0.87 1.46 3.38 -0.94 -0.28 115.31 119.35 1gif h LEU 27 Ca 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1gif h LEU 27 Cb 0.36 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1gif h LEU 27 CO 0.00 0.72 0.56 0.00 0.09 0.00 0.00 178.44 179.81 1gif h ALA 28 N 1.29 1.10 -0.20 1.53 0.00 -0.86 0.15 119.26 122.28 1gif h ALA 28 Ca 0.01 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1gif h ALA 28 Cb 0.95 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1gif h ALA 28 CO 0.08 0.53 -0.43 1.96 0.00 0.00 0.00 179.25 181.39 1gif h GLN 29 N 1.18 0.63 -0.40 0.00 4.20 -1.17 0.60 115.11 120.16 1gif h GLN 29 Ca 0.32 -0.42 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 1gif h GLN 29 Cb -0.11 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1gif h GLN 29 CO -0.07 1.04 -0.08 0.00 -0.67 0.00 0.00 178.83 179.06 1gif h ALA 30 N 0.59 1.12 0.00 3.87 0.00 -0.57 -3.07 119.26 121.20 1gif h ALA 30 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1gif h ALA 30 Cb 1.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1gif h ALA 30 CO 0.09 0.55 -0.91 0.25 0.00 0.00 0.00 179.25 179.24 1gif n THR 31 N -4.20 0.24 -1.07 0.00 -2.24 0.50 -4.95 114.28 102.56 1gif n THR 31 Ca 0.01 -0.26 -0.02 0.00 -2.27 0.00 0.00 64.05 61.51 1gif n THR 31 Cb 0.33 0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.63 1gif n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gif n GLY 32 N 1.35 0.57 3.70 3.38 0.00 0.18 -5.02 105.19 109.36 1gif n GLY 32 Ca 0.02 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1gif n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gif s LYS 33 N -1.73 2.61 0.47 1.61 -0.14 -1.09 -5.03 119.74 116.44 1gif s LYS 33 Ca 0.00 -0.81 -0.24 0.00 -1.36 0.00 0.00 55.97 53.56 1gif s LYS 33 Cb 0.00 -2.58 -0.07 0.00 -1.68 0.00 0.00 37.83 33.50 1gif s LYS 33 CO 0.00 0.54 1.34 -2.14 -0.76 0.00 0.00 175.35 174.33 1gif s PRO 34 N -2.33 3.61 0.51 -1.68 0.02 -1.26 -4.55 135.00 129.33 1gif s PRO 34 Ca 0.26 2.21 0.20 0.00 0.02 0.00 0.00 61.00 63.69 1gif s PRO 34 Cb -0.12 -2.53 1.30 0.00 0.02 0.00 0.00 34.50 33.16 1gif s PRO 34 CO 0.19 -0.80 2.06 -1.00 -0.33 0.00 0.00 177.00 177.12 1gif h PRO 35 N 2.13 0.05 -0.97 5.54 0.13 -1.92 -2.36 132.00 134.61 1gif h PRO 35 Ca -0.50 -0.00 0.26 0.00 -0.87 0.00 0.00 66.00 64.89 1gif h PRO 35 Cb 1.27 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 1gif h PRO 35 CO 0.60 0.03 0.67 -0.56 -0.23 0.00 0.00 178.00 178.52 1gif h GLN 36 N 0.05 0.15 -0.01 0.86 -0.00 -1.98 -0.07 115.11 114.10 1gif h GLN 36 Ca 0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.78 1gif h GLN 36 Cb 0.51 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.96 1gif h GLN 36 CO -0.01 0.10 -0.09 0.66 -0.00 0.00 0.00 178.83 179.49 1gif n TYR 37 N -4.37 0.00 -3.28 0.06 4.01 -0.89 -4.91 117.16 107.79 1gif n TYR 37 Ca 0.21 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.57 1gif n TYR 37 Cb 0.94 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.88 1gif n TYR 37 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1gif s ILE 38 N -2.16 5.16 -0.10 -0.72 1.01 -0.04 -3.29 121.20 121.07 1gif s ILE 38 Ca 0.32 1.00 0.01 0.00 0.00 0.00 0.00 60.65 61.99 1gif s ILE 38 Cb 0.20 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1gif s ILE 38 CO 0.39 0.29 -0.13 0.00 0.00 0.00 0.00 174.94 175.50 1gif s ALA 39 N 0.80 2.67 -0.03 9.38 0.00 0.12 -4.97 121.76 129.74 1gif s ALA 39 Ca 0.27 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.33 1gif s ALA 39 Cb -0.15 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.84 1gif s ALA 39 CO 0.11 0.38 -0.08 0.08 0.00 0.00 0.00 175.76 176.25 1gif s VAL 40 N -0.11 0.68 -0.09 0.00 1.01 -1.26 -0.97 120.40 119.67 1gif s VAL 40 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1gif s VAL 40 Cb -0.14 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1gif s VAL 40 CO 0.03 0.22 -0.06 -2.28 0.00 0.00 0.00 175.10 173.02 1gif s HIS 41 N 0.26 1.20 -0.13 5.22 2.46 -0.40 -4.98 115.29 118.92 1gif s HIS 41 Ca -0.04 -0.52 0.02 0.00 0.47 0.00 0.00 55.06 55.00 1gif s HIS 41 Cb -0.08 -1.04 0.00 0.00 -0.13 0.00 0.00 32.58 31.32 1gif s HIS 41 CO 0.00 -0.40 -0.21 0.08 -2.47 0.00 0.00 174.74 171.74 1gif s VAL 42 N 1.55 2.24 -0.38 0.89 1.01 -1.26 -1.18 120.40 123.26 1gif s VAL 42 Ca 0.01 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1gif s VAL 42 Cb -0.13 -1.90 0.11 0.00 0.00 0.00 0.00 36.38 34.46 1gif s VAL 42 CO -0.05 0.54 0.14 -0.69 0.00 0.00 0.00 175.10 175.04 1gif s VAL 43 N 0.65 1.82 0.68 2.92 1.01 0.99 -4.98 120.40 123.49 1gif s VAL 43 Ca -0.10 -2.33 -0.03 0.00 0.00 0.00 0.00 61.98 59.51 1gif s VAL 43 Cb -0.16 -2.32 0.14 0.00 0.00 0.00 0.00 36.38 34.04 1gif s VAL 43 CO 0.02 -0.71 0.93 -0.81 0.00 0.00 0.00 175.10 174.53 1gif n PRO 44 N 4.06 -0.27 -2.07 2.72 -0.04 -1.26 -0.73 135.00 137.41 1gif n PRO 44 Ca 0.03 -2.22 -0.20 0.00 -0.04 0.00 0.00 63.50 61.08 1gif n PRO 44 Cb 0.39 -0.71 -0.04 0.00 -0.04 0.00 0.00 33.50 33.09 1gif n PRO 44 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1gif n ASP 45 N -3.11 -5.51 -4.86 3.54 8.00 0.25 -4.83 116.55 110.04 1gif n ASP 45 Ca 0.14 0.20 -0.31 0.00 0.71 0.00 0.00 54.79 55.54 1gif n ASP 45 Cb 0.51 -4.71 0.01 0.00 -0.02 0.00 0.00 41.12 36.92 1gif n ASP 45 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1gif s GLN 46 N -4.50 3.53 -0.70 -1.24 -1.52 -0.25 -4.94 119.66 110.04 1gif s GLN 46 Ca 0.00 0.79 -0.21 0.00 -1.95 0.00 0.00 55.36 53.99 1gif s GLN 46 Cb 0.00 -2.07 0.10 0.00 -0.22 0.00 0.00 33.01 30.82 1gif s GLN 46 CO 0.00 -0.63 0.93 -1.17 -0.25 0.00 0.00 175.29 174.17 1gif s LEU 47 N -5.18 4.85 0.12 2.90 2.96 -1.26 -4.28 118.68 118.79 1gif s LEU 47 Ca 0.56 -1.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.07 1gif s LEU 47 Cb -0.11 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1gif s LEU 47 CO 0.53 -1.25 0.05 -0.04 -1.32 0.00 0.00 176.35 174.31 1gif s MET 48 N 3.31 0.87 0.01 1.98 -1.94 -1.26 -5.08 119.30 117.20 1gif s MET 48 Ca 0.21 -1.39 -0.02 0.00 -1.71 0.00 0.00 55.69 52.79 1gif s MET 48 Cb -0.16 0.24 -0.01 0.00 2.01 0.00 0.00 34.83 36.91 1gif s MET 48 CO 0.04 -0.24 0.01 0.00 -0.01 0.00 0.00 175.02 174.83 1gif s ALA 49 N -4.02 0.01 -0.04 3.03 0.00 -1.26 -4.66 121.76 114.82 1gif s ALA 49 Ca 0.20 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.77 1gif s ALA 49 Cb 0.07 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1gif s ALA 49 CO -0.01 -0.15 -0.12 0.12 0.00 0.00 0.00 175.76 175.60 1gif s PHE 50 N -1.28 1.30 -1.04 0.00 2.19 -0.09 -4.72 117.98 114.34 1gif s PHE 50 Ca -0.14 -0.39 0.00 0.00 0.33 0.00 0.00 56.93 56.73 1gif s PHE 50 Cb -0.08 -0.92 0.00 0.00 -1.31 0.00 0.00 43.02 40.70 1gif s PHE 50 CO -0.00 -0.17 0.00 0.41 1.83 0.00 0.00 175.22 177.29 1gif n GLY 51 N 3.41 0.32 1.64 13.12 0.00 -1.26 -0.35 105.19 122.07 1gif n GLY 51 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1gif n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gif n GLY 52 N -0.46 1.66 3.80 -0.02 0.00 -1.26 -5.03 105.19 103.87 1gif n GLY 52 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1gif n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gif s SER 53 N -3.04 5.50 -0.17 1.61 0.15 0.53 -5.01 113.70 113.26 1gif s SER 53 Ca 0.00 -0.16 0.16 0.00 0.70 0.00 0.00 55.95 56.64 1gif s SER 53 Cb 0.00 -1.42 0.69 0.00 -1.71 0.00 0.00 66.02 63.58 1gif s SER 53 CO 0.00 0.04 1.60 -1.20 1.20 0.00 0.00 173.24 174.89 1gif n SER 54 N -0.53 4.82 -4.70 5.45 7.64 -1.26 -0.92 113.62 124.13 1gif n SER 54 Ca -0.08 -2.76 -0.30 0.00 1.01 0.00 0.00 58.87 56.73 1gif n SER 54 Cb 0.55 -0.59 0.14 0.00 -1.01 0.00 0.00 64.21 63.31 1gif n SER 54 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1gif s GLU 55 N -2.41 1.28 0.26 1.43 0.41 -1.26 -4.85 118.70 113.56 1gif s GLU 55 Ca 0.49 1.15 -0.30 0.00 -0.41 0.00 0.00 54.97 55.89 1gif s GLU 55 Cb 0.35 -1.79 -0.14 0.00 -1.78 0.00 0.00 34.13 30.78 1gif s GLU 55 CO 0.17 -2.32 1.27 -2.30 -0.49 0.00 0.00 175.26 171.59 1gif n PRO 56 N -3.98 1.79 -3.99 0.39 -0.02 -1.26 -4.79 135.00 123.15 1gif n PRO 56 Ca 0.09 0.63 -0.11 0.00 -2.02 0.00 0.00 63.50 62.10 1gif n PRO 56 Cb 0.53 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 1gif n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gif s ALA 58 N -3.44 -1.22 -0.18 0.00 0.00 -0.69 -3.40 121.76 112.82 1gif s ALA 58 Ca 0.23 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1gif s ALA 58 Cb -0.02 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.39 1gif s ALA 58 CO 0.13 -0.24 -0.17 -0.51 0.00 0.00 0.00 175.76 174.97 1gif s LEU 59 N 0.11 2.31 0.27 0.00 1.43 -0.32 -2.11 118.68 120.37 1gif s LEU 59 Ca -0.01 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1gif s LEU 59 Cb -0.03 -1.54 -0.06 0.00 0.03 0.00 0.00 46.19 44.59 1gif s LEU 59 CO 0.01 0.01 0.02 0.00 0.23 0.00 0.00 176.35 176.63 1gif s SER 61 N -3.37 -0.34 -0.10 0.00 1.04 -0.68 -0.09 113.70 110.17 1gif s SER 61 Ca 0.32 0.42 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1gif s SER 61 Cb 0.07 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1gif s SER 61 CO 0.12 -0.37 -0.08 -0.22 0.98 0.00 0.00 173.24 173.67 1gif s LEU 62 N -0.81 1.23 -0.08 2.42 2.96 0.46 -1.32 118.68 123.54 1gif s LEU 62 Ca -0.09 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1gif s LEU 62 Cb -0.04 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 1gif s LEU 62 CO 0.04 -0.09 -0.13 -1.00 -1.32 0.00 0.00 176.35 173.84 1gif s HIS 63 N 1.47 2.76 -0.05 5.38 3.76 0.57 -0.64 115.29 128.54 1gif s HIS 63 Ca 0.00 -0.34 -0.17 0.00 -0.15 0.00 0.00 55.06 54.40 1gif s HIS 63 Cb -0.13 -1.72 0.03 0.00 1.11 0.00 0.00 32.58 31.87 1gif s HIS 63 CO -0.05 0.04 0.38 0.45 -0.85 0.00 0.00 174.74 174.70 1gif s SER 64 N -0.29 -0.30 -0.91 1.40 0.15 -0.57 -1.02 113.70 112.16 1gif s SER 64 Ca 0.02 0.33 -0.21 0.00 0.70 0.00 0.00 55.95 56.79 1gif s SER 64 Cb -0.13 0.45 0.09 0.00 -1.71 0.00 0.00 66.02 64.73 1gif s SER 64 CO 0.03 -0.40 1.20 -0.63 1.20 0.00 0.00 173.24 174.63 1gif s ILE 65 N -0.98 4.40 0.00 6.45 1.01 -1.26 0.52 121.20 131.34 1gif s ILE 65 Ca -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.47 1gif s ILE 65 Cb -0.04 -4.85 0.00 0.00 0.01 0.00 0.00 42.46 37.58 1gif s ILE 65 CO 0.04 -1.64 0.00 0.61 0.00 0.00 0.00 174.94 173.96 1gif n GLY 66 N 5.85 -0.81 2.33 6.18 0.00 -1.26 -4.94 105.19 112.55 1gif n GLY 66 Ca 0.21 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 1gif n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gif n LYS 67 N -0.78 -0.96 -5.08 1.61 4.76 -1.26 -4.89 118.16 111.56 1gif n LYS 67 Ca 0.00 0.84 -0.32 0.00 -2.87 0.00 0.00 58.31 55.96 1gif n LYS 67 Cb 0.00 -4.96 -0.15 0.00 -1.84 0.00 0.00 35.03 28.08 1gif n LYS 67 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1gif s ILE 68 N -2.55 2.53 0.00 -0.18 -1.09 -1.26 -4.83 121.20 113.82 1gif s ILE 68 Ca 0.00 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 1gif s ILE 68 Cb 0.00 -1.96 0.00 0.00 -1.58 0.00 0.00 42.46 38.92 1gif s ILE 68 CO 0.00 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 1gif n GLY 69 N 2.78 0.46 0.42 6.18 0.00 -1.26 -4.98 105.19 108.78 1gif n GLY 69 Ca -0.17 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 1gif n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1gif h GLY 70 N 0.00 -0.70 0.69 -0.02 0.00 -1.99 0.14 103.07 101.19 1gif h GLY 70 Ca 0.00 0.62 -0.06 0.00 0.00 0.00 0.00 47.33 47.89 1gif h GLY 70 CO 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 176.54 176.22 1gif h ALA 71 N 0.32 0.17 -0.84 3.60 0.00 -2.00 -2.88 119.26 117.63 1gif h ALA 71 Ca 0.13 -0.35 0.13 0.00 0.00 0.00 0.00 54.91 54.82 1gif h ALA 71 Cb 0.58 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1gif h ALA 71 CO -0.63 0.08 0.44 1.96 0.00 0.00 0.00 179.25 181.10 1gif h GLN 72 N -0.12 0.64 -0.92 0.00 7.50 -1.85 -1.12 115.11 119.25 1gif h GLN 72 Ca 0.01 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.13 1gif h GLN 72 Cb 0.74 -0.14 -0.04 0.00 0.05 0.00 0.00 27.48 28.08 1gif h GLN 72 CO 0.04 0.42 0.59 -0.91 -1.50 0.00 0.00 178.83 177.47 1gif h ASN 73 N 0.66 1.07 -0.75 1.46 2.35 -0.65 0.41 115.58 120.12 1gif h ASN 73 Ca 0.45 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.15 1gif h ASN 73 Cb 0.59 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 1gif h ASN 73 CO -0.34 0.79 0.45 0.03 -1.65 0.00 0.00 177.43 176.71 1gif h ARG 74 N 1.25 1.02 -0.28 0.81 3.08 -1.01 0.19 114.38 119.43 1gif h ARG 74 Ca 0.33 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 60.16 1gif h ARG 74 Cb -0.11 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.71 1gif h ARG 74 CO -0.07 0.73 -0.36 1.03 -1.07 0.00 0.00 179.97 180.23 1gif h SER 75 N 1.03 0.67 -0.66 7.04 0.87 -0.51 -2.51 113.55 119.48 1gif h SER 75 Ca 0.27 -0.29 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 1gif h SER 75 Cb -0.03 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 1gif h SER 75 CO -0.05 0.97 0.09 1.88 -0.53 0.00 0.00 176.83 179.19 1gif h TYR 76 N 0.54 1.17 -0.63 2.24 0.05 0.74 -2.28 116.97 118.80 1gif h TYR 76 Ca 0.05 -0.17 0.03 0.00 0.05 0.00 0.00 58.73 58.69 1gif h TYR 76 Cb 0.87 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 1gif h TYR 76 CO 0.04 0.99 0.42 0.77 -1.05 0.00 0.00 178.16 179.33 1gif h SER 77 N 1.02 0.66 -0.23 3.88 0.02 -0.36 0.64 113.55 119.17 1gif h SER 77 Ca 0.20 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 1gif h SER 77 Cb 0.46 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1gif h SER 77 CO 0.02 0.46 -0.15 0.11 -1.14 0.00 0.00 176.83 176.13 1gif h LYS 78 N 0.77 0.51 -0.34 3.45 1.57 -1.06 0.72 116.57 122.20 1gif h LYS 78 Ca 0.25 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1gif h LYS 78 Cb 0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1gif h LYS 78 CO -0.07 0.80 0.23 1.25 -0.57 0.00 0.00 179.45 181.09 1gif h LEU 79 N 0.22 0.39 -0.12 2.94 5.85 -0.83 -0.77 115.31 122.99 1gif h LEU 79 Ca 0.05 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1gif h LEU 79 Cb 0.67 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1gif h LEU 79 CO 0.04 0.29 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.31 1gif h LEU 80 N 0.46 0.26 -1.33 2.25 3.38 -0.89 -0.84 115.31 118.60 1gif h LEU 80 Ca 0.13 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1gif h LEU 80 Cb -0.05 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1gif h LEU 80 CO -0.03 0.60 0.46 0.00 0.09 0.00 0.00 178.44 179.56 1gif h GLY 82 N 0.93 0.57 0.95 0.00 0.00 -0.87 -1.02 103.07 103.63 1gif h GLY 82 Ca 0.25 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1gif h GLY 82 CO -0.06 0.28 0.17 1.41 0.00 0.00 0.00 176.54 178.35 1gif h LEU 83 N 0.45 0.55 -0.89 3.11 4.07 -0.64 -0.55 115.31 121.41 1gif h LEU 83 Ca 0.12 -0.16 -0.11 0.00 0.08 0.00 0.00 57.88 57.81 1gif h LEU 83 Cb 0.15 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 1gif h LEU 83 CO -0.01 0.56 -0.41 -0.07 -1.08 0.00 0.00 178.44 177.43 1gif h LEU 84 N 0.51 0.32 -0.21 1.67 3.38 -1.10 -0.34 115.31 119.54 1gif h LEU 84 Ca 0.14 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1gif h LEU 84 Cb 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1gif h LEU 84 CO -0.01 0.70 -0.37 0.00 0.09 0.00 0.00 178.44 178.85 1gif h ALA 85 N 1.32 0.32 -0.23 1.53 0.00 -1.00 -0.19 119.26 121.01 1gif h ALA 85 Ca 0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1gif h ALA 85 Cb 0.83 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1gif h ALA 85 CO 0.07 0.40 -0.31 1.49 0.00 0.00 0.00 179.25 180.89 1gif h GLU 86 N 0.30 0.61 0.12 0.00 4.81 -0.91 -0.55 114.58 118.96 1gif h GLU 86 Ca 0.01 -0.36 -0.32 0.00 -0.13 0.00 0.00 59.36 58.57 1gif h GLU 86 Cb 0.96 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1gif h GLU 86 CO 0.08 0.96 -1.62 0.00 -0.73 0.00 0.00 179.01 177.70 1gif h ARG 87 N 0.31 0.26 -0.07 1.92 2.47 -1.15 -3.37 114.38 114.74 1gif h ARG 87 Ca 0.02 -0.45 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 1gif h ARG 87 Cb 0.89 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1gif h ARG 87 CO 0.07 1.12 0.00 1.28 0.56 0.00 0.00 179.97 183.01 1gif n LEU 88 N -3.46 2.12 -2.48 3.04 4.77 -0.16 -4.73 117.00 116.10 1gif n LEU 88 Ca -0.19 -1.18 -0.20 0.00 -0.03 0.00 0.00 56.01 54.41 1gif n LEU 88 Cb 1.05 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 42.11 1gif n LEU 88 CO 0.50 0.43 -0.13 0.54 -1.33 0.00 0.00 177.39 177.40 1gif n ARG 89 N 0.62 -2.97 -3.46 3.23 3.00 -0.22 -4.95 116.66 111.91 1gif n ARG 89 Ca 0.08 0.89 -0.37 0.00 -0.01 0.00 0.00 57.85 58.43 1gif n ARG 89 Cb 0.31 -5.53 -0.06 0.00 0.00 0.00 0.00 32.46 27.18 1gif n ARG 89 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1gif s ILE 90 N -3.04 5.21 0.05 0.55 1.01 -0.87 -4.97 121.20 119.14 1gif s ILE 90 Ca 0.13 0.75 -0.31 0.00 0.00 0.00 0.00 60.65 61.22 1gif s ILE 90 Cb -0.06 -3.71 -0.07 0.00 0.01 0.00 0.00 42.46 38.64 1gif s ILE 90 CO 0.17 0.42 1.39 -0.55 0.00 0.00 0.00 174.94 176.36 1gif s SER 91 N 0.14 6.85 0.50 3.58 0.15 -1.26 -3.75 113.70 119.91 1gif s SER 91 Ca 0.21 2.20 0.23 0.00 0.70 0.00 0.00 55.95 59.30 1gif s SER 91 Cb -0.14 -2.57 1.27 0.00 -1.71 0.00 0.00 66.02 62.86 1gif s SER 91 CO 0.08 -0.68 1.68 1.55 1.20 0.00 0.00 173.24 177.07 1gif h PRO 92 N 7.36 0.00 -0.41 5.44 0.13 -1.96 0.20 132.00 142.76 1gif h PRO 92 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1gif h PRO 92 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1gif h PRO 92 CO 0.88 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.25 1gif n ASP 93 N -2.51 2.63 -1.22 1.44 5.75 -1.26 -3.67 116.55 117.72 1gif n ASP 93 Ca -0.02 -1.93 -0.07 0.00 -0.01 0.00 0.00 54.79 52.76 1gif n ASP 93 Cb 0.30 -0.27 0.15 0.00 -1.03 0.00 0.00 41.12 40.27 1gif n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gif n ARG 94 N 0.94 2.29 -4.08 0.11 1.74 0.72 -4.97 116.66 113.40 1gif n ARG 94 Ca 0.17 -3.54 -0.18 0.00 -0.77 0.00 0.00 57.85 53.53 1gif n ARG 94 Cb 0.44 -1.89 -0.16 0.00 -1.02 0.00 0.00 32.46 29.83 1gif n ARG 94 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gif s VAL 95 N -3.71 0.38 0.03 1.55 1.01 -1.24 -1.71 120.40 116.71 1gif s VAL 95 Ca 0.44 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.45 1gif s VAL 95 Cb 0.40 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 36.33 1gif s VAL 95 CO -0.02 0.18 -0.25 -0.31 0.00 0.00 0.00 175.10 174.69 1gif s TYR 96 N 0.77 2.20 -0.07 5.22 2.02 -0.89 -5.01 117.35 121.58 1gif s TYR 96 Ca -0.09 -0.41 -0.00 0.00 -0.37 0.00 0.00 57.07 56.20 1gif s TYR 96 Cb -0.12 -1.33 0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1gif s TYR 96 CO -0.01 0.09 -0.03 0.42 -1.57 0.00 0.00 175.55 174.46 1gif s ILE 97 N -0.77 0.56 -0.15 2.71 1.01 -1.26 -0.67 121.20 122.64 1gif s ILE 97 Ca 0.11 -0.04 -0.14 0.00 0.00 0.00 0.00 60.65 60.58 1gif s ILE 97 Cb -0.10 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 1gif s ILE 97 CO 0.02 0.27 0.31 0.20 0.00 0.00 0.00 174.94 175.74 1gif s ASN 98 N 1.59 6.48 -0.14 3.58 0.01 0.87 -4.94 114.94 122.38 1gif s ASN 98 Ca -0.00 0.56 -0.06 0.00 -0.71 0.00 0.00 52.86 52.65 1gif s ASN 98 Cb -0.13 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 1gif s ASN 98 CO -0.04 0.11 0.08 -0.31 -1.51 0.00 0.00 177.10 175.43 1gif s TYR 99 N 0.34 3.35 -0.08 2.20 2.02 -1.26 -0.40 117.35 123.51 1gif s TYR 99 Ca 0.18 0.26 -0.00 0.00 -0.37 0.00 0.00 57.07 57.14 1gif s TYR 99 Cb -0.13 -1.97 0.02 0.00 -0.40 0.00 0.00 41.96 39.48 1gif s TYR 99 CO 0.05 0.42 -0.04 0.71 -1.57 0.00 0.00 175.55 175.12 1gif s TYR 100 N -0.37 1.03 -0.35 2.71 2.02 0.18 -4.95 117.35 117.62 1gif s TYR 100 Ca 0.10 -0.41 -0.18 0.00 -0.37 0.00 0.00 57.07 56.21 1gif s TYR 100 Cb -0.12 -0.95 -0.00 0.00 -0.40 0.00 0.00 41.96 40.48 1gif s TYR 100 CO 0.02 -0.37 0.51 0.34 -1.57 0.00 0.00 175.55 174.48 1gif s ASP 101 N 1.60 6.31 0.06 2.29 2.15 -1.26 -1.50 116.67 126.33 1gif s ASP 101 Ca 0.01 -0.04 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1gif s ASP 101 Cb -0.13 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.18 1gif s ASP 101 CO -0.05 -0.48 0.19 -0.04 -0.17 0.00 0.00 175.17 174.63 1gif s MET 102 N 2.38 3.36 0.30 4.34 -1.94 0.18 -4.91 119.30 123.02 1gif s MET 102 Ca 0.18 -0.47 -0.27 0.00 -1.71 0.00 0.00 55.69 53.42 1gif s MET 102 Cb -0.15 -3.00 -0.10 0.00 2.01 0.00 0.00 34.83 33.59 1gif s MET 102 CO 0.13 0.60 0.96 1.21 -0.01 0.00 0.00 175.02 177.91 1gif s ASN 103 N -2.50 7.39 0.41 3.03 3.84 -1.26 -4.17 114.94 121.68 1gif s ASN 103 Ca 0.34 1.90 0.12 0.00 0.21 0.00 0.00 52.86 55.43 1gif s ASN 103 Cb -0.13 -2.59 0.95 0.00 -0.55 0.00 0.00 41.25 38.93 1gif s ASN 103 CO 0.27 -0.03 1.96 0.00 -2.79 0.00 0.00 177.10 176.51 1gif h ALA 104 N 3.42 1.94 0.00 1.71 0.00 -1.95 0.07 119.26 124.45 1gif h ALA 104 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1gif h ALA 104 Cb 1.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1gif h ALA 104 CO 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1gif h ALA 105 N 1.66 1.00 -0.61 0.00 0.00 -1.91 -2.59 119.26 116.81 1gif h ALA 105 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1gif h ALA 105 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1gif h ALA 105 CO -0.10 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.24 1gif n ASN 106 N -2.36 4.42 -3.98 0.00 3.02 0.01 -4.86 115.26 111.51 1gif n ASN 106 Ca 0.01 -2.36 -0.29 0.00 -0.03 0.00 0.00 54.58 51.91 1gif n ASN 106 Cb 0.21 -0.53 -0.16 0.00 -0.61 0.00 0.00 39.78 38.69 1gif n ASN 106 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1gif s VAL 107 N -1.68 1.43 0.17 2.41 1.01 -1.14 -4.92 120.40 117.67 1gif s VAL 107 Ca 0.48 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 1gif s VAL 107 Cb 0.30 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 35.20 1gif s VAL 107 CO 0.24 0.36 0.43 -0.83 0.00 0.00 0.00 175.10 175.31 1gif s GLY 108 N 1.53 2.26 -0.28 4.51 0.00 -1.26 -2.72 107.32 111.35 1gif s GLY 108 Ca 0.04 -0.46 -0.23 0.00 0.00 0.00 0.00 44.72 44.06 1gif s GLY 108 CO -0.10 -0.36 0.96 0.86 0.00 0.00 0.00 173.10 174.46 1gif s TRP 109 N -1.69 -0.57 -1.36 1.90 -0.00 -0.15 -4.98 118.94 112.08 1gif s TRP 109 Ca 0.42 1.33 -0.15 0.00 -0.00 0.00 0.00 56.10 57.70 1gif s TRP 109 Cb -0.12 0.37 0.02 0.00 -0.00 0.00 0.00 33.47 33.73 1gif s TRP 109 CO 0.23 -0.28 0.40 -1.71 -0.00 0.00 0.00 176.95 175.59 1gif n ASN 110 N 2.68 -1.78 0.00 5.86 5.15 -1.26 -1.72 115.26 124.19 1gif n ASN 110 Ca -0.14 -1.22 0.00 0.00 -0.60 0.00 0.00 54.58 52.61 1gif n ASN 110 Cb 0.56 -2.01 0.00 0.00 -0.53 0.00 0.00 39.78 37.80 1gif n ASN 110 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1gif n ASN 111 N -2.60 -0.05 0.00 1.20 3.02 -1.26 -4.93 115.26 110.63 1gif n ASN 111 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 1gif n ASN 111 Cb 0.63 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1gif n ASN 111 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1gif n SER 112 N -0.00 0.00 -4.61 6.41 2.88 -0.70 -5.19 113.62 112.41 1gif n SER 112 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1gif n SER 112 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1gif n SER 112 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1gif s THR 113 N -1.33 1.16 -0.80 2.46 -4.23 -1.26 -0.98 115.64 110.66 1gif s THR 113 Ca 0.00 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.77 1gif s THR 113 Cb 0.00 -2.33 0.21 0.00 1.34 0.00 0.00 72.50 71.72 1gif s THR 113 CO 0.00 0.00 1.69 0.49 -0.54 0.00 0.00 174.62 176.26 1gif n PHE 114 N -1.14 0.57 0.70 3.99 3.72 -0.99 -4.85 117.46 119.46 1gif n PHE 114 Ca -0.14 0.17 0.06 0.00 -0.05 0.00 0.00 57.45 57.48 1gif n PHE 114 Cb 0.67 -0.73 0.33 0.00 -0.94 0.00 0.00 39.48 38.81 1gif n PHE 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71