#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n LYS 2 N 0.00 3.02 -0.19 0.00 5.02 -1.26 -5.18 118.16 119.58 3i1p n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i1p n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i1p n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i1p n LYS 3 N 0.00 1.53 -3.60 1.97 5.02 -1.26 -5.15 118.16 116.68 3i1p n LYS 3 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 3i1p n LYS 3 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 3i1p n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i1p s VAL 4 N 0.72 0.00 -0.04 -0.18 0.11 -1.26 -5.07 120.40 114.68 3i1p s VAL 4 Ca 0.00 -0.14 0.06 0.00 -2.93 0.00 0.00 61.98 58.98 3i1p s VAL 4 Cb 0.00 -1.33 0.10 0.00 -1.53 0.00 0.00 36.38 33.62 3i1p s VAL 4 CO 0.00 0.00 1.05 0.00 -3.33 0.00 0.00 175.10 172.82 3i1p n GLN 5 N -0.26 0.35 -3.16 1.54 6.02 -1.26 -5.03 117.38 115.57 3i1p n GLN 5 Ca -0.05 -1.49 -0.15 0.00 -0.01 0.00 0.00 57.00 55.31 3i1p n GLN 5 Cb 0.60 -0.74 0.06 0.00 1.02 0.00 0.00 30.24 31.18 3i1p n GLN 5 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i1p n ALA 6 N -0.35 -1.26 -2.02 -1.58 0.00 -1.26 -5.03 120.51 109.01 3i1p n ALA 6 Ca 0.05 0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.42 3i1p n ALA 6 Cb 0.71 -2.91 0.01 0.00 0.00 0.00 0.00 19.45 17.26 3i1p n ALA 6 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3i1p s TYR 7 N -3.25 2.82 0.67 0.00 -0.85 -1.26 -5.13 117.35 110.35 3i1p s TYR 7 Ca 0.19 -0.37 0.04 0.00 -0.52 0.00 0.00 57.07 56.41 3i1p s TYR 7 Cb -0.08 -2.40 0.12 0.00 0.38 0.00 0.00 41.96 39.97 3i1p s TYR 7 CO 0.54 -0.45 0.92 0.14 -1.52 0.00 0.00 175.55 175.18 3i1p s VAL 8 N -2.38 2.11 -0.32 -3.49 -7.23 -1.26 -5.11 120.40 102.72 3i1p s VAL 8 Ca 0.55 -0.76 -0.05 0.00 -1.81 0.00 0.00 61.98 59.90 3i1p s VAL 8 Cb -0.10 -2.35 0.19 0.00 0.56 0.00 0.00 36.38 34.68 3i1p s VAL 8 CO 0.33 0.00 0.91 -1.59 -0.31 0.00 0.00 175.10 174.44 3i1p s LYS 9 N -4.96 0.31 0.00 4.82 -2.85 -1.26 -4.89 119.74 110.91 3i1p s LYS 9 Ca 0.65 0.13 0.00 0.00 -1.00 0.00 0.00 55.97 55.75 3i1p s LYS 9 Cb -0.05 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.81 3i1p s LYS 9 CO 0.42 -0.52 0.00 1.28 0.10 0.00 0.00 175.35 176.63 3i1p n LEU 10 N 4.76 0.00 -3.30 2.77 4.77 -1.26 -5.09 117.00 119.65 3i1p n LEU 10 Ca 0.08 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.09 3i1p n LEU 10 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 3i1p n LEU 10 CO -0.11 0.00 0.61 0.00 -1.33 0.00 0.00 177.39 176.55 3i1p s GLN 11 N 2.84 0.26 0.14 3.23 -2.07 -1.26 -4.70 119.66 118.10 3i1p s GLN 11 Ca 0.00 0.59 -0.08 0.00 -1.82 0.00 0.00 55.36 54.05 3i1p s GLN 11 Cb 0.00 0.35 -0.01 0.00 -1.09 0.00 0.00 33.01 32.26 3i1p s GLN 11 CO 0.00 -0.15 0.23 0.08 -1.32 0.00 0.00 175.29 174.14 3i1p s VAL 12 N 2.57 0.09 -0.08 3.63 1.01 -1.26 -5.12 120.40 121.24 3i1p s VAL 12 Ca -0.01 -1.40 -0.37 0.00 0.00 0.00 0.00 61.98 60.20 3i1p s VAL 12 Cb -0.07 -1.75 -0.15 0.00 0.00 0.00 0.00 36.38 34.41 3i1p s VAL 12 CO -0.16 -0.40 1.62 0.00 0.00 0.00 0.00 175.10 176.16 3i1p n ALA 13 N -0.16 -0.05 0.49 5.51 0.00 -1.26 -4.68 120.51 120.35 3i1p n ALA 13 Ca -0.09 0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.81 3i1p n ALA 13 Cb 0.63 -2.24 0.24 0.00 0.00 0.00 0.00 19.45 18.08 3i1p n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 14 N 4.47 1.71 -0.04 0.00 0.00 -1.26 -2.27 120.51 123.12 3i1p n ALA 14 Ca 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.63 3i1p n ALA 14 Cb 0.20 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 3i1p n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 15 N -0.49 -0.78 3.40 0.00 0.00 -1.26 -4.77 105.19 101.28 3i1p n GLY 15 Ca 0.05 -0.35 -0.45 0.00 0.00 0.00 0.00 46.02 45.27 3i1p n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i1p s MET 16 N -2.88 4.05 -0.11 1.61 0.00 -0.96 -4.78 119.30 116.22 3i1p s MET 16 Ca -0.07 -2.76 -0.10 0.00 0.00 0.00 0.00 55.69 52.76 3i1p s MET 16 Cb 0.09 -4.78 -0.05 0.00 0.00 0.00 0.00 34.83 30.09 3i1p s MET 16 CO 0.69 -1.50 -0.22 0.00 0.00 0.00 0.00 175.02 173.99 3i1p n ALA 17 N 4.34 1.78 -0.38 4.11 0.00 -1.26 -4.67 120.51 124.42 3i1p n ALA 17 Ca 0.28 -0.58 -0.01 0.00 0.00 0.00 0.00 53.44 53.13 3i1p n ALA 17 Cb 0.42 0.18 0.04 0.00 0.00 0.00 0.00 19.45 20.09 3i1p n ALA 17 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1p n ASN 18 N -3.96 -0.65 -3.02 0.00 5.15 -1.26 -4.55 115.26 106.97 3i1p n ASN 18 Ca -0.19 1.74 0.00 0.00 -0.60 0.00 0.00 54.58 55.53 3i1p n ASN 18 Cb 0.49 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 3i1p n ASN 18 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3i1p n PRO 19 N -5.47 -1.19 -0.02 1.20 -0.02 -1.26 -4.99 135.00 123.25 3i1p n PRO 19 Ca 0.10 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.37 3i1p n PRO 19 Cb 0.40 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.74 3i1p n PRO 19 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i1p n SER 20 N -2.38 2.08 -0.33 2.55 2.88 -1.26 -4.42 113.62 112.74 3i1p n SER 20 Ca 0.00 0.21 0.09 0.00 -1.33 0.00 0.00 58.87 57.84 3i1p n SER 20 Cb 0.00 -0.84 0.25 0.00 -0.75 0.00 0.00 64.21 62.87 3i1p n SER 20 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3i1p h PRO 21 N -0.09 0.73 0.00 -1.46 0.11 -1.94 -3.38 132.00 125.97 3i1p h PRO 21 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i1p h PRO 21 Cb 1.93 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.87 3i1p h PRO 21 CO 0.03 0.48 0.00 -0.35 -0.21 0.00 0.00 178.00 177.95 3i1p n PRO 22 N -4.78 0.00 0.00 1.05 -0.04 -1.26 -4.86 135.00 125.11 3i1p n PRO 22 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3i1p n PRO 22 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 3i1p n PRO 22 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3i1p n VAL 23 N 0.00 0.00 0.00 0.52 0.24 -1.26 -4.35 118.33 113.47 3i1p n VAL 23 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i1p n VAL 23 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i1p n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1p n GLY 24 N 2.97 1.22 0.00 7.63 0.00 -1.26 -3.02 105.19 112.74 3i1p n GLY 24 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 3i1p n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i1p n PRO 25 N 0.00 0.00 -0.03 1.61 -0.02 -1.26 0.22 135.00 135.52 3i1p n PRO 25 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 3i1p n PRO 25 Cb 0.00 -1.42 -0.01 0.00 -0.02 0.00 0.00 33.50 32.05 3i1p n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1p n ALA 26 N -0.89 0.27 0.21 3.55 0.00 -1.17 -4.56 120.51 117.93 3i1p n ALA 26 Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 53.44 53.11 3i1p n ALA 26 Cb 0.00 0.01 0.22 0.00 0.00 0.00 0.00 19.45 19.68 3i1p n ALA 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3i1p n LEU 27 N -3.19 3.14 0.00 0.00 -0.00 -1.15 -4.81 117.00 110.99 3i1p n LEU 27 Ca -0.04 -1.58 0.00 0.00 -0.00 0.00 0.00 56.01 54.38 3i1p n LEU 27 Cb 0.16 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.11 3i1p n LEU 27 CO 0.06 0.52 0.00 0.61 -0.00 0.00 0.00 177.39 178.58 3i1p n GLY 28 N 0.73 -0.62 0.00 1.47 0.00 0.13 -4.56 105.19 102.35 3i1p n GLY 28 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3i1p n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1p n GLN 29 N 0.00 0.00 0.00 1.61 1.13 -1.26 -3.59 117.38 115.27 3i1p n GLN 29 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3i1p n GLN 29 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3i1p n GLN 29 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i1p n GLN 30 N 0.00 0.00 0.00 -1.09 -0.00 -1.26 -5.05 117.38 109.98 3i1p n GLN 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3i1p n GLN 30 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 3i1p n GLN 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i1p n GLY 31 N -1.00 -1.77 2.75 2.61 0.00 -1.24 -5.11 105.19 101.43 3i1p n GLY 31 Ca 0.00 0.80 -0.17 0.00 0.00 0.00 0.00 46.02 46.64 3i1p n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1p s VAL 32 N 0.00 -0.00 -0.13 1.61 1.01 -1.26 -4.56 120.40 117.07 3i1p s VAL 32 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3i1p s VAL 32 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 3i1p s VAL 32 CO 0.00 0.14 -0.14 0.20 0.00 0.00 0.00 175.10 175.30 3i1p s ASN 33 N 1.43 3.96 -0.44 3.32 0.01 -1.26 -4.91 114.94 117.05 3i1p s ASN 33 Ca -0.04 -0.34 -0.25 0.00 -0.71 0.00 0.00 52.86 51.52 3i1p s ASN 33 Cb -0.13 -1.58 0.02 0.00 0.41 0.00 0.00 41.25 39.98 3i1p s ASN 33 CO -0.03 0.17 0.89 -0.63 -1.51 0.00 0.00 177.10 175.99 3i1p s ILE 34 N 0.32 4.54 0.00 0.60 -1.09 -1.26 -4.52 121.20 119.79 3i1p s ILE 34 Ca -0.11 0.76 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 3i1p s ILE 34 Cb -0.16 -4.38 0.00 0.00 -1.58 0.00 0.00 42.46 36.34 3i1p s ILE 34 CO 0.06 -0.74 0.00 0.80 -1.23 0.00 0.00 174.94 173.83 3i1p n MET 35 N 6.98 0.00 0.00 2.79 1.56 -1.26 -4.89 117.12 122.29 3i1p n MET 35 Ca 0.05 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.58 3i1p n MET 35 Cb 0.48 0.00 0.55 0.00 2.15 0.00 0.00 33.22 36.40 3i1p n MET 35 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 3i1p n GLU 36 N 0.00 0.69 0.23 2.12 0.00 -1.26 -1.66 120.64 120.76 3i1p n GLU 36 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.30 3i1p n GLU 36 Cb 0.00 -1.42 0.41 0.00 0.00 0.00 0.00 31.44 30.43 3i1p n GLU 36 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3i1p h PHE 37 N 0.00 0.00 0.00 -1.84 3.57 -1.90 -2.43 116.94 114.34 3i1p h PHE 37 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i1p h PHE 37 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3i1p h PHE 37 CO 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 3i1p n LYS 39 N -0.00 0.00 0.00 0.00 5.02 -0.67 -4.29 118.16 118.23 3i1p n LYS 39 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 3i1p n LYS 39 Cb 0.17 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 35.62 3i1p n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1p n ALA 40 N -1.56 1.94 0.37 7.82 0.00 -1.25 -2.21 120.51 125.61 3i1p n ALA 40 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.48 3i1p n ALA 40 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 3i1p n ALA 40 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i1p n PHE 41 N -1.44 0.33 0.97 0.00 7.35 -0.91 -3.66 117.46 120.09 3i1p n PHE 41 Ca 0.06 0.09 0.13 0.00 -0.76 0.00 0.00 57.45 56.97 3i1p n PHE 41 Cb 0.21 -0.53 0.37 0.00 0.35 0.00 0.00 39.48 39.88 3i1p n PHE 41 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3i1p n ASN 42 N -2.15 0.35 0.14 -2.13 2.85 -0.94 -2.15 115.26 111.24 3i1p n ASN 42 Ca 0.00 0.03 0.05 0.00 -0.11 0.00 0.00 54.58 54.55 3i1p n ASN 42 Cb 0.48 -0.02 0.04 0.00 1.24 0.00 0.00 39.78 41.53 3i1p n ASN 42 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i1p h ALA 43 N 2.97 0.74 0.00 5.20 0.00 -1.62 -2.33 119.26 124.21 3i1p h ALA 43 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 3i1p h ALA 43 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3i1p h ALA 43 CO 0.00 0.45 -0.84 -0.22 0.00 0.00 0.00 179.25 178.64 3i1p h LYS 44 N 0.00 0.01 0.00 0.00 3.11 -1.59 -1.77 116.57 116.33 3i1p h LYS 44 Ca -0.02 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.76 3i1p h LYS 44 Cb 1.28 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.51 3i1p h LYS 44 CO 0.04 0.84 -0.22 1.15 -2.81 0.00 0.00 179.45 178.45 3i1p h THR 45 N 0.00 0.87 0.02 1.00 2.02 -1.27 -2.62 112.91 112.93 3i1p h THR 45 Ca -0.01 -0.84 -0.24 0.00 0.77 0.00 0.00 66.41 66.09 3i1p h THR 45 Cb 1.49 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 3i1p h THR 45 CO 0.11 0.22 -1.21 0.44 0.37 0.00 0.00 175.52 175.45 3i1p h ASP 46 N 0.00 0.06 -0.62 4.18 3.32 -1.15 -3.03 116.42 119.17 3i1p h ASP 46 Ca -0.00 -0.07 -0.22 0.00 0.02 0.00 0.00 57.03 56.75 3i1p h ASP 46 Cb 0.48 -0.02 -0.13 0.00 0.22 0.00 0.00 39.33 39.88 3i1p h ASP 46 CO 0.03 1.06 0.28 -1.20 -1.72 0.00 0.00 179.24 177.69 3i1p n SER 47 N -3.31 4.05 0.00 6.45 7.64 -0.69 -4.30 113.62 123.46 3i1p n SER 47 Ca -0.05 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.82 3i1p n SER 47 Cb 0.98 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 3i1p n SER 47 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3i1p n ILE 48 N -0.21 0.00 -3.67 0.44 -5.35 -1.05 -5.00 119.36 104.52 3i1p n ILE 48 Ca 0.35 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.71 3i1p n ILE 48 Cb 1.22 -0.74 -0.08 0.00 -1.74 0.00 0.00 39.64 38.30 3i1p n ILE 48 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 3i1p s GLU 49 N -2.00 0.66 -0.67 6.28 -1.05 -1.15 -5.10 118.70 115.68 3i1p s GLU 49 Ca 0.00 0.91 0.05 0.00 -0.15 0.00 0.00 54.97 55.79 3i1p s GLU 49 Cb 0.00 0.25 0.20 0.00 -0.44 0.00 0.00 34.13 34.15 3i1p s GLU 49 CO 0.00 -0.11 0.60 1.63 0.95 0.00 0.00 175.26 178.33 3i1p n LYS 50 N 3.28 2.07 0.00 -4.83 4.76 -1.26 -4.48 118.16 117.69 3i1p n LYS 50 Ca -0.16 -4.52 0.00 0.00 -2.87 0.00 0.00 58.31 50.76 3i1p n LYS 50 Cb 0.56 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 3i1p n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1p n GLY 51 N 1.52 -1.62 0.00 0.72 0.00 -1.26 -5.17 105.19 99.38 3i1p n GLY 51 Ca 0.24 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.75 3i1p n GLY 51 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i1p n LEU 52 N 0.00 0.00 -4.54 0.99 7.94 -1.26 -5.14 117.00 114.99 3i1p n LEU 52 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 3i1p n LEU 52 Cb 0.00 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.98 3i1p n LEU 52 CO 0.00 0.00 0.32 -2.65 -1.11 0.00 0.00 177.39 173.95 3i1p n PRO 53 N -1.04 0.85 -4.89 1.96 -0.02 -1.26 -4.97 135.00 125.62 3i1p n PRO 53 Ca 0.00 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.47 3i1p n PRO 53 Cb 0.00 -1.86 -0.17 0.00 -0.02 0.00 0.00 33.50 31.45 3i1p n PRO 53 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i1p s ILE 54 N -1.50 2.08 1.20 4.25 1.09 -1.26 -4.70 121.20 122.37 3i1p s ILE 54 Ca 0.68 -0.99 -0.15 0.00 -1.10 0.00 0.00 60.65 59.09 3i1p s ILE 54 Cb -0.50 -1.81 0.26 0.00 -1.06 0.00 0.00 42.46 39.34 3i1p s ILE 54 CO 0.54 0.55 0.74 -0.81 -0.10 0.00 0.00 174.94 175.87 3i1p n PRO 55 N 3.84 -2.56 -3.91 2.79 -0.04 -1.26 -4.88 135.00 128.98 3i1p n PRO 55 Ca -0.20 -0.73 -0.11 0.00 -0.04 0.00 0.00 63.50 62.43 3i1p n PRO 55 Cb 0.52 -2.02 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 3i1p n PRO 55 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i1p s VAL 56 N -2.33 0.07 0.00 0.52 0.11 -1.26 -4.90 120.40 112.61 3i1p s VAL 56 Ca 0.65 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 3i1p s VAL 56 Cb -0.21 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 3i1p s VAL 56 CO 0.65 -0.30 0.00 0.52 -3.33 0.00 0.00 175.10 172.64 3i1p n VAL 57 N 2.03 0.00 0.00 2.04 0.31 -1.26 -4.59 118.33 116.86 3i1p n VAL 57 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3i1p n VAL 57 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 3i1p n VAL 57 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i1p n ILE 58 N 0.00 0.00 -3.72 2.52 5.41 -1.26 -4.90 119.36 117.42 3i1p n ILE 58 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 3i1p n ILE 58 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 3i1p n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3i1p s THR 59 N 0.00 -0.12 0.11 1.39 2.01 -1.26 -4.82 115.64 112.95 3i1p s THR 59 Ca 0.00 0.24 -0.31 0.00 0.31 0.00 0.00 61.69 61.93 3i1p s THR 59 Cb 0.00 -0.26 -0.10 0.00 0.01 0.00 0.00 72.50 72.15 3i1p s THR 59 CO 0.00 0.10 1.74 -0.69 -0.69 0.00 0.00 174.62 175.07 3i1p s VAL 60 N 1.55 2.71 0.00 3.82 1.01 -1.26 -4.16 120.40 124.07 3i1p s VAL 60 Ca -0.05 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3i1p s VAL 60 Cb -0.12 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3i1p s VAL 60 CO -0.06 0.00 0.00 -1.22 0.00 0.00 0.00 175.10 173.82 3i1p n TYR 61 N 5.43 0.00 0.00 5.22 4.01 -1.20 -5.07 117.16 125.55 3i1p n TYR 61 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 3i1p n TYR 61 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 3i1p n TYR 61 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i1p n ALA 62 N -3.00 0.00 -4.00 -0.72 0.00 -1.26 -4.94 120.51 106.59 3i1p n ALA 62 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3i1p n ALA 62 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3i1p n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i1p s ASP 63 N -1.26 4.74 -0.54 0.00 1.01 -1.26 -4.82 116.67 114.55 3i1p s ASP 63 Ca 0.00 -1.92 -0.04 0.00 0.71 0.00 0.00 52.55 51.30 3i1p s ASP 63 Cb 0.00 -1.63 0.00 0.00 1.01 0.00 0.00 42.92 42.30 3i1p s ASP 63 CO 0.00 -0.34 0.56 0.54 0.21 0.00 0.00 175.17 176.13 3i1p n ARG 64 N 4.34 -1.35 -3.43 8.23 1.74 -1.26 -5.07 116.66 119.87 3i1p n ARG 64 Ca -0.02 1.48 0.01 0.00 -0.77 0.00 0.00 57.85 58.56 3i1p n ARG 64 Cb 0.42 -5.02 -0.04 0.00 -1.02 0.00 0.00 32.46 26.80 3i1p n ARG 64 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i1p s SER 65 N -2.69 -0.75 -0.07 0.55 0.15 -1.26 -5.10 113.70 104.52 3i1p s SER 65 Ca 0.06 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.66 3i1p s SER 65 Cb -0.02 1.82 0.02 0.00 -1.71 0.00 0.00 66.02 66.14 3i1p s SER 65 CO 0.63 -0.14 -0.06 -0.36 1.20 0.00 0.00 173.24 174.51 3i1p s PHE 66 N 2.62 1.04 -0.12 3.44 0.40 -1.26 -3.21 117.98 120.89 3i1p s PHE 66 Ca -0.02 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 55.86 3i1p s PHE 66 Cb -0.08 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 3i1p s PHE 66 CO -0.18 -0.32 0.11 0.99 0.70 0.00 0.00 175.22 176.52 3i1p s THR 67 N 1.31 5.24 0.52 0.64 2.01 -1.26 -4.80 115.64 119.30 3i1p s THR 67 Ca -0.04 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.12 3i1p s THR 67 Cb -0.14 -3.28 0.05 0.00 0.01 0.00 0.00 72.50 69.15 3i1p s THR 67 CO -0.03 0.60 0.44 0.49 -0.69 0.00 0.00 174.62 175.43 3i1p n PHE 68 N 2.13 -0.85 -2.74 4.92 3.72 -1.26 -4.04 117.46 119.35 3i1p n PHE 68 Ca -0.19 -2.18 -0.06 0.00 -0.05 0.00 0.00 57.45 54.97 3i1p n PHE 68 Cb 0.54 -0.44 0.04 0.00 -0.94 0.00 0.00 39.48 38.69 3i1p n PHE 68 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3i1p n VAL 69 N -1.78 0.00 -2.21 -4.37 3.14 -1.26 -5.03 118.33 106.82 3i1p n VAL 69 Ca 0.00 -1.19 -0.42 0.00 -2.96 0.00 0.00 64.34 59.77 3i1p n VAL 69 Cb 0.59 1.27 -0.03 0.00 -1.06 0.00 0.00 33.84 34.61 3i1p n VAL 69 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3i1p s THR 70 N 0.69 3.45 0.00 1.55 2.01 -1.26 -4.99 115.64 117.09 3i1p s THR 70 Ca 0.30 1.02 0.00 0.00 0.31 0.00 0.00 61.69 63.32 3i1p s THR 70 Cb 0.16 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 69.02 3i1p s THR 70 CO -0.17 0.07 0.00 2.29 -0.69 0.00 0.00 174.62 176.12 3i1p n LYS 71 N 4.15 0.20 -4.59 4.92 2.85 -1.26 -5.09 118.16 119.35 3i1p n LYS 71 Ca 0.11 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.04 3i1p n LYS 71 Cb 0.43 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.65 3i1p n LYS 71 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 3i1p s THR 72 N 4.03 2.49 0.81 0.58 -1.32 -1.26 -4.85 115.64 116.13 3i1p s THR 72 Ca 0.00 -0.83 -0.14 0.00 -1.21 0.00 0.00 61.69 59.51 3i1p s THR 72 Cb 0.00 -2.03 0.05 0.00 -1.51 0.00 0.00 72.50 69.00 3i1p s THR 72 CO 0.00 0.53 0.90 -0.81 -2.21 0.00 0.00 174.62 173.02 3i1p n PRO 73 N 4.04 0.12 -1.66 7.08 -0.04 -1.26 -4.84 135.00 138.44 3i1p n PRO 73 Ca -0.19 0.11 -0.49 0.00 -0.04 0.00 0.00 63.50 62.89 3i1p n PRO 73 Cb 0.52 -2.18 -0.05 0.00 -0.04 0.00 0.00 33.50 31.74 3i1p n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3i1p n PRO 74 N -2.38 1.88 -0.02 0.54 -0.02 -1.26 -4.86 135.00 128.88 3i1p n PRO 74 Ca 0.11 0.68 0.12 0.00 -2.02 0.00 0.00 63.50 62.40 3i1p n PRO 74 Cb 0.51 -2.44 0.59 0.00 -0.02 0.00 0.00 33.50 32.15 3i1p n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1p n ALA 75 N 4.19 2.60 0.02 3.55 0.00 -1.26 -3.15 120.51 126.45 3i1p n ALA 75 Ca 0.19 -0.33 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 3i1p n ALA 75 Cb 0.26 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 3i1p n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h ALA 76 N 4.00 0.68 -0.53 0.00 0.00 -1.89 -3.33 119.26 118.19 3i1p h ALA 76 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 3i1p h ALA 76 Cb 0.26 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3i1p h ALA 76 CO 0.00 1.25 0.00 1.33 0.00 0.00 0.00 179.25 181.83 3i1p n VAL 77 N -3.04 0.69 0.02 0.00 0.24 -1.19 -4.31 118.33 110.75 3i1p n VAL 77 Ca -0.11 -0.82 -0.16 0.00 -2.04 0.00 0.00 64.34 61.21 3i1p n VAL 77 Cb 0.94 0.72 -0.14 0.00 -1.47 0.00 0.00 33.84 33.89 3i1p n VAL 77 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3i1p h LEU 78 N 4.23 0.29 -0.78 1.34 3.38 -1.66 -3.34 115.31 118.76 3i1p h LEU 78 Ca 0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3i1p h LEU 78 Cb 0.95 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3i1p h LEU 78 CO 0.00 1.48 0.00 0.18 0.09 0.00 0.00 178.44 180.19 3i1p n LEU 79 N -3.35 0.52 -0.07 1.67 4.77 -1.26 -3.01 117.00 116.27 3i1p n LEU 79 Ca -0.22 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3i1p n LEU 79 Cb 1.05 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 3i1p n LEU 79 CO 0.46 0.13 0.44 0.29 -1.33 0.00 0.00 177.39 177.38 3i1p n LYS 80 N 0.02 0.95 -1.16 3.23 5.02 -1.25 -3.04 118.16 121.93 3i1p n LYS 80 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 3i1p n LYS 80 Cb 0.13 -1.07 -0.02 0.00 -0.02 0.00 0.00 35.03 34.05 3i1p n LYS 80 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3i1p n LYS 81 N -0.42 0.00 -0.30 1.97 2.85 -1.17 -4.10 118.16 116.99 3i1p n LYS 81 Ca 0.00 -1.38 0.08 0.00 -1.05 0.00 0.00 58.31 55.95 3i1p n LYS 81 Cb 0.03 0.19 0.23 0.00 -0.65 0.00 0.00 35.03 34.84 3i1p n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1p n ALA 82 N 0.22 2.41 0.00 0.58 0.00 -1.17 -4.77 120.51 117.79 3i1p n ALA 82 Ca -0.10 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 51.99 3i1p n ALA 82 Cb 0.89 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3i1p n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 83 N 0.76 0.00 0.00 0.00 0.00 -1.26 -4.44 120.51 115.57 3i1p n ALA 83 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3i1p n ALA 83 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3i1p n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 84 N -1.48 -0.12 3.75 0.00 0.00 -1.26 -5.12 105.19 100.96 3i1p n GLY 84 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i1p n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i1p s ILE 85 N 0.00 2.17 -1.51 -0.61 -4.36 -1.26 -4.88 121.20 110.75 3i1p s ILE 85 Ca 0.00 0.14 -0.12 0.00 -0.26 0.00 0.00 60.65 60.41 3i1p s ILE 85 Cb 0.00 -3.09 0.00 0.00 1.25 0.00 0.00 42.46 40.62 3i1p s ILE 85 CO 0.00 0.02 2.47 1.17 0.24 0.00 0.00 174.94 178.85 3i1p n LYS 86 N 2.20 3.18 0.00 0.37 4.81 -1.26 -4.57 118.16 122.89 3i1p n LYS 86 Ca 0.08 -2.50 0.00 0.00 -0.87 0.00 0.00 58.31 55.02 3i1p n LYS 86 Cb 0.38 -3.11 0.00 0.00 0.02 0.00 0.00 35.03 32.32 3i1p n LYS 86 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3i1p n SER 87 N 5.13 -0.03 -4.63 3.14 7.64 -1.26 -4.94 113.62 118.68 3i1p n SER 87 Ca 0.61 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 60.13 3i1p n SER 87 Cb 0.33 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.62 3i1p n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1p n GLY 88 N 0.00 -0.27 0.01 0.23 0.00 -1.26 -4.92 105.19 98.99 3i1p n GLY 88 Ca 0.00 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.84 3i1p n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1p n SER 89 N -1.67 0.69 0.00 1.61 3.41 -1.26 -4.98 113.62 111.42 3i1p n SER 89 Ca 0.14 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 3i1p n SER 89 Cb 0.49 0.77 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 3i1p n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1p n GLY 90 N 1.45 1.46 3.63 5.00 0.00 -1.26 -4.90 105.19 110.57 3i1p n GLY 90 Ca 0.03 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3i1p n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1p s LYS 91 N 0.00 3.99 -1.17 1.61 1.02 -1.26 -4.95 119.74 118.98 3i1p s LYS 91 Ca 0.00 1.04 -0.22 0.00 0.02 0.00 0.00 55.97 56.81 3i1p s LYS 91 Cb 0.00 -3.78 -0.05 0.00 -0.52 0.00 0.00 37.83 33.48 3i1p s LYS 91 CO 0.00 -1.00 1.88 -2.14 -0.92 0.00 0.00 175.35 173.17 3i1p s PRO 92 N 3.85 2.82 0.00 -1.68 0.02 -1.26 -3.93 135.00 134.83 3i1p s PRO 92 Ca 0.48 -1.24 0.00 0.00 0.02 0.00 0.00 61.00 60.26 3i1p s PRO 92 Cb -0.12 -5.29 0.00 0.00 0.02 0.00 0.00 34.50 29.11 3i1p s PRO 92 CO 0.19 -3.54 0.00 -1.71 -0.33 0.00 0.00 177.00 171.61 3i1p n ASN 93 N 13.04 -2.58 -0.08 2.53 4.05 -1.26 -4.89 115.26 126.08 3i1p n ASN 93 Ca 0.45 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 55.46 3i1p n ASN 93 Cb 0.47 -0.62 0.22 0.00 1.23 0.00 0.00 39.78 41.09 3i1p n ASN 93 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 3i1p h LYS 94 N 1.30 0.70 0.00 1.20 1.57 -1.96 -3.44 116.57 115.95 3i1p h LYS 94 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3i1p h LYS 94 Cb 0.06 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3i1p h LYS 94 CO 0.00 0.68 0.00 -3.47 -0.57 0.00 0.00 179.45 176.09 3i1p n ASP 95 N -4.26 0.63 -1.05 0.86 2.03 -1.26 -5.04 116.55 108.45 3i1p n ASP 95 Ca 0.03 -0.04 0.02 0.00 0.52 0.00 0.00 54.79 55.31 3i1p n ASP 95 Cb 0.25 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 40.79 3i1p n ASP 95 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3i1p n LYS 96 N -0.03 1.44 -0.34 -0.67 3.00 -1.26 -4.86 118.16 115.44 3i1p n LYS 96 Ca 0.00 -3.11 0.20 0.00 -0.00 0.00 0.00 58.31 55.41 3i1p n LYS 96 Cb 0.00 -1.31 0.45 0.00 0.00 0.00 0.00 35.03 34.16 3i1p n LYS 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i1p h VAL 97 N 2.70 0.52 -2.23 3.15 2.07 -1.96 -3.42 116.25 117.09 3i1p h VAL 97 Ca -0.02 -0.17 -0.58 0.00 0.82 0.00 0.00 66.70 66.75 3i1p h VAL 97 Cb 1.28 -0.01 0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3i1p h VAL 97 CO 0.11 0.09 1.05 0.61 0.02 0.00 0.00 177.57 179.45 3i1p n GLY 98 N -1.39 1.48 2.64 2.17 0.00 -1.12 -4.97 105.19 104.00 3i1p n GLY 98 Ca 0.26 0.78 -0.23 0.00 0.00 0.00 0.00 46.02 46.83 3i1p n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1p s LYS 99 N 3.09 0.41 -0.09 1.61 -0.14 -1.26 -4.50 119.74 118.85 3i1p s LYS 99 Ca 0.87 -0.66 0.04 0.00 -1.36 0.00 0.00 55.97 54.85 3i1p s LYS 99 Cb -0.61 -0.94 -0.01 0.00 -1.68 0.00 0.00 37.83 34.59 3i1p s LYS 99 CO 0.44 -1.10 -0.22 0.42 -0.76 0.00 0.00 175.35 174.13 3i1p s ILE 100 N 1.81 2.32 0.30 2.17 -1.09 -1.26 -4.01 121.20 121.43 3i1p s ILE 100 Ca 0.13 -0.95 -0.29 0.00 -2.23 0.00 0.00 60.65 57.31 3i1p s ILE 100 Cb -0.17 -1.89 -0.10 0.00 -1.58 0.00 0.00 42.46 38.72 3i1p s ILE 100 CO -0.20 0.56 1.28 -0.94 -1.23 0.00 0.00 174.94 174.41 3i1p s SER 101 N 0.10 6.87 0.26 3.58 1.04 -1.26 -4.78 113.70 119.52 3i1p s SER 101 Ca -0.10 2.57 0.19 0.00 0.48 0.00 0.00 55.95 59.09 3i1p s SER 101 Cb -0.16 -2.64 0.99 0.00 0.10 0.00 0.00 66.02 64.31 3i1p s SER 101 CO 0.06 -0.47 1.58 -1.14 0.98 0.00 0.00 173.24 174.25 3i1p n ARG 102 N 1.27 0.13 0.25 4.02 3.00 -1.26 0.64 116.66 124.71 3i1p n ARG 102 Ca 0.01 0.58 0.15 0.00 -0.00 0.00 0.00 57.85 58.59 3i1p n ARG 102 Cb 0.42 -1.88 0.50 0.00 0.00 0.00 0.00 32.46 31.50 3i1p n ARG 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1p h ALA 103 N 2.05 1.00 -0.15 5.13 0.00 -1.93 -2.84 119.26 122.52 3i1p h ALA 103 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i1p h ALA 103 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i1p h ALA 103 CO 0.00 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.33 3i1p n GLN 104 N -3.12 1.73 -0.01 0.00 6.02 0.21 -1.33 117.38 120.88 3i1p n GLN 104 Ca 0.02 -1.73 0.13 0.00 -0.01 0.00 0.00 57.00 55.41 3i1p n GLN 104 Cb 0.39 -1.35 0.36 0.00 1.02 0.00 0.00 30.24 30.66 3i1p n GLN 104 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3i1p n LEU 105 N 0.99 2.11 0.00 1.08 0.00 -0.96 -3.79 117.00 116.44 3i1p n LEU 105 Ca 0.12 -0.73 0.00 0.00 0.00 0.00 0.00 56.01 55.40 3i1p n LEU 105 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 43.42 43.85 3i1p n LEU 105 CO 0.11 0.36 -0.21 1.67 0.00 0.00 0.00 177.39 179.32 3i1p n GLN 106 N 0.65 3.09 0.33 1.96 -0.06 -1.16 -4.40 117.38 117.79 3i1p n GLN 106 Ca 0.17 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 55.01 3i1p n GLN 106 Cb 0.45 -0.65 -0.08 0.00 -4.06 0.00 0.00 30.24 25.89 3i1p n GLN 106 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3i1p h GLU 107 N 0.00 -0.82 -0.62 3.69 4.57 -1.30 -2.59 114.58 117.51 3i1p h GLU 107 Ca 0.00 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3i1p h GLU 107 Cb 0.00 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3i1p h GLU 107 CO 0.00 -0.51 0.00 0.44 -1.18 0.00 0.00 179.01 177.76 3i1p n ILE 108 N -5.40 1.08 -2.00 2.32 -5.35 -1.25 -3.65 119.36 105.11 3i1p n ILE 108 Ca -0.12 -0.65 -0.14 0.00 -0.27 0.00 0.00 62.75 61.56 3i1p n ILE 108 Cb 0.36 -0.12 0.07 0.00 -1.74 0.00 0.00 39.64 38.21 3i1p n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1p n ALA 109 N 0.46 4.43 -0.48 -1.28 0.00 -1.00 -4.39 120.51 118.25 3i1p n ALA 109 Ca 0.14 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 50.03 3i1p n ALA 109 Cb 0.58 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3i1p n ALA 109 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i1p n GLN 110 N -0.76 0.00 -0.07 0.00 7.27 -1.04 -4.50 117.38 118.27 3i1p n GLN 110 Ca 0.34 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.28 3i1p n GLN 110 Cb 0.90 -0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.49 3i1p n GLN 110 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 3i1p n THR 111 N 0.00 0.76 -1.33 1.69 -1.04 -1.26 -4.70 114.28 108.40 3i1p n THR 111 Ca 0.00 -0.22 -0.39 0.00 -2.04 0.00 0.00 64.05 61.40 3i1p n THR 111 Cb 0.00 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 66.97 3i1p n THR 111 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i1p n LYS 112 N -3.45 2.43 -2.60 -2.82 5.02 -1.26 -4.16 118.16 111.33 3i1p n LYS 112 Ca -0.26 -2.12 -0.04 0.00 -2.02 0.00 0.00 58.31 53.86 3i1p n LYS 112 Cb 0.71 -2.97 0.10 0.00 -0.02 0.00 0.00 35.03 32.85 3i1p n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1p n ALA 113 N 5.87 1.27 0.00 7.82 0.00 -1.26 -4.83 120.51 129.37 3i1p n ALA 113 Ca 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3i1p n ALA 113 Cb 0.33 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3i1p n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 114 N -0.91 0.72 1.09 0.00 0.00 -1.26 -4.89 120.51 115.26 3i1p n ALA 114 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.45 3i1p n ALA 114 Cb 0.82 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.59 3i1p n ALA 114 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i1p n ASP 115 N -1.62 0.63 -1.09 0.00 5.75 -1.26 -4.89 116.55 114.07 3i1p n ASP 115 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.36 3i1p n ASP 115 Cb 0.00 0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 3i1p n ASP 115 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3i1p n MET 116 N -1.22 3.02 -3.66 0.11 2.81 -1.26 -5.07 117.12 111.85 3i1p n MET 116 Ca 0.08 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.69 3i1p n MET 116 Cb 0.34 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.74 3i1p n MET 116 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3i1p s THR 117 N 1.62 1.68 0.00 2.03 2.01 -1.26 -4.91 115.64 116.80 3i1p s THR 117 Ca 0.00 -3.50 0.00 0.00 0.31 0.00 0.00 61.69 58.50 3i1p s THR 117 Cb 0.00 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.39 3i1p s THR 117 CO 0.00 -1.11 0.00 0.61 -0.69 0.00 0.00 174.62 173.43 3i1p n GLY 118 N 2.39 0.00 5.52 4.40 0.00 -1.26 -4.95 105.19 111.29 3i1p n GLY 118 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3i1p n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1p n ALA 119 N -2.42 0.00 -1.47 4.61 0.00 -1.26 -4.10 120.51 115.88 3i1p n ALA 119 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3i1p n ALA 119 Cb 0.49 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.07 3i1p n ALA 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i1p s ASP 120 N -4.00 3.59 0.00 0.00 1.01 -1.26 -4.90 116.67 111.11 3i1p s ASP 120 Ca 0.00 1.10 0.00 0.00 0.71 0.00 0.00 52.55 54.36 3i1p s ASP 120 Cb 0.00 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 42.20 3i1p s ASP 120 CO 0.00 -2.52 0.68 -0.38 0.21 0.00 0.00 175.17 173.17 3i1p n ILE 121 N -3.76 0.39 -0.03 0.77 5.41 -1.26 -3.00 119.36 117.87 3i1p n ILE 121 Ca 0.06 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.79 3i1p n ILE 121 Cb 0.58 -0.69 -0.04 0.00 -0.71 0.00 0.00 39.64 38.78 3i1p n ILE 121 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3i1p n GLU 122 N 0.21 2.94 -0.51 0.38 4.71 -1.26 -4.02 120.64 123.10 3i1p n GLU 122 Ca 0.00 -0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.23 3i1p n GLU 122 Cb 0.34 -1.14 0.30 0.00 -1.01 0.00 0.00 31.44 29.93 3i1p n GLU 122 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i1p n ALA 123 N -2.23 2.97 0.03 0.62 0.00 -1.16 -3.94 120.51 116.79 3i1p n ALA 123 Ca -0.09 -1.30 -0.01 0.00 0.00 0.00 0.00 53.44 52.03 3i1p n ALA 123 Cb 0.68 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.10 3i1p n ALA 123 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i1p n MET 124 N 0.93 0.07 0.33 0.00 2.81 -1.24 -4.28 117.12 115.75 3i1p n MET 124 Ca 0.22 0.03 -0.13 0.00 -1.81 0.00 0.00 57.70 56.00 3i1p n MET 124 Cb 0.75 -0.62 -0.06 0.00 -0.71 0.00 0.00 33.22 32.58 3i1p n MET 124 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3i1p h THR 125 N -0.13 0.00 -0.57 2.03 1.35 -1.76 -3.18 112.91 110.65 3i1p h THR 125 Ca -0.01 -0.16 0.16 0.00 -0.55 0.00 0.00 66.41 65.86 3i1p h THR 125 Cb 0.21 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.60 3i1p h THR 125 CO -0.00 0.00 0.44 0.03 -0.25 0.00 0.00 175.52 175.74 3i1p h ARG 126 N -1.02 0.00 -0.93 4.72 3.08 -1.83 0.32 114.38 118.71 3i1p h ARG 126 Ca -0.09 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.15 3i1p h ARG 126 Cb 0.66 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.63 3i1p h ARG 126 CO 0.14 0.00 0.60 0.77 -1.07 0.00 0.00 179.97 180.42 3i1p h SER 127 N 0.00 0.55 1.34 7.04 0.02 -1.79 -0.39 113.55 120.31 3i1p h SER 127 Ca 0.27 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.22 3i1p h SER 127 Cb 1.15 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 3i1p h SER 127 CO -0.00 0.22 -0.68 0.40 -1.14 0.00 0.00 176.83 175.63 3i1p h ILE 128 N 0.55 0.28 -0.02 3.27 1.08 -0.47 -3.08 117.51 119.12 3i1p h ILE 128 Ca 0.50 -1.45 -0.09 0.00 -0.39 0.00 0.00 64.86 63.43 3i1p h ILE 128 Cb 1.03 1.94 -0.01 0.00 -3.07 0.00 0.00 36.82 36.71 3i1p h ILE 128 CO -0.23 0.16 -0.41 -0.33 -0.69 0.00 0.00 178.15 176.64 3i1p h GLU 129 N 0.00 0.04 -0.00 2.37 5.08 -0.98 -2.42 114.58 118.68 3i1p h GLU 129 Ca -0.03 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 3i1p h GLU 129 Cb 1.19 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3i1p h GLU 129 CO 0.02 0.45 -0.76 0.78 -1.00 0.00 0.00 179.01 178.50 3i1p h GLY 130 N 1.25 0.03 0.92 -3.84 0.00 -1.36 -2.37 103.07 97.69 3i1p h GLY 130 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3i1p h GLY 130 CO 0.06 0.04 0.00 -1.30 0.00 0.00 0.00 176.54 175.34 3i1p n THR 131 N -3.65 0.00 -0.13 4.70 -2.24 -0.98 -3.48 114.28 108.50 3i1p n THR 131 Ca -0.01 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.51 3i1p n THR 131 Cb 0.74 -0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 68.36 3i1p n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1p n ALA 132 N -0.96 1.17 0.76 6.98 0.00 -0.93 -4.37 120.51 123.16 3i1p n ALA 132 Ca 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3i1p n ALA 132 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3i1p n ALA 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1p n ARG 133 N -4.06 0.76 -0.01 0.00 1.74 -1.00 -1.28 116.66 112.81 3i1p n ARG 133 Ca -0.49 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.58 3i1p n ARG 133 Cb 0.89 -1.33 -0.00 0.00 -1.02 0.00 0.00 32.46 31.00 3i1p n ARG 133 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3i1p n SER 134 N 0.23 0.17 0.28 0.55 7.64 -1.25 -4.38 113.62 116.86 3i1p n SER 134 Ca 0.00 0.23 0.13 0.00 1.01 0.00 0.00 58.87 60.25 3i1p n SER 134 Cb 0.23 -0.53 0.82 0.00 -1.01 0.00 0.00 64.21 63.72 3i1p n SER 134 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1p h MET 135 N -0.09 0.00 0.00 1.43 -0.00 -1.83 -3.41 114.93 111.03 3i1p h MET 135 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3i1p h MET 135 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 3i1p h MET 135 CO 0.00 0.05 0.00 0.41 -0.00 0.00 0.00 176.91 177.37 3i1p n GLY 136 N -1.11 0.53 0.00 -3.00 0.00 -1.17 -4.03 105.19 96.41 3i1p n GLY 136 Ca -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3i1p n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1p n LEU 137 N 0.00 0.00 0.00 0.99 4.77 -0.40 -2.79 117.00 119.57 3i1p n LEU 137 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i1p n LEU 137 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i1p n LEU 137 CO 0.00 -0.16 0.00 1.33 -1.33 0.00 0.00 177.39 177.23 3i1p n VAL 138 N -0.32 0.00 -3.95 4.08 0.24 -1.26 -4.57 118.33 112.55 3i1p n VAL 138 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 3i1p n VAL 138 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3i1p n VAL 138 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3i1p n VAL 139 N 0.00 0.00 0.00 3.34 0.24 -1.26 -4.89 118.33 115.76 3i1p n VAL 139 Ca 0.00 -1.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 3i1p n VAL 139 Cb 0.00 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 3i1p n VAL 139 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i1p n GLU 140 N -0.36 0.00 0.00 7.34 4.07 -1.26 -4.94 120.64 125.50 3i1p n GLU 140 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 3i1p n GLU 140 Cb 0.35 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.73 3i1p n GLU 140 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82