#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n ARG 2 N 0.00 0.00 -1.47 0.03 0.00 -1.26 -5.01 116.66 108.96 3i1p n ARG 2 Ca 0.00 0.01 -0.45 0.00 -0.00 0.00 0.00 57.85 57.41 3i1p n ARG 2 Cb 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 32.46 31.65 3i1p n ARG 2 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i1p n HIS 3 N -2.23 1.06 -2.28 -0.14 8.25 -1.26 -0.52 115.22 118.10 3i1p n HIS 3 Ca 0.00 0.35 -0.18 0.00 -0.26 0.00 0.00 57.72 57.63 3i1p n HIS 3 Cb 0.00 -2.46 -0.02 0.00 1.12 0.00 0.00 29.99 28.63 3i1p n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i1p n ARG 4 N 8.41 -1.78 0.00 -0.41 5.12 -1.26 -4.98 116.66 121.77 3i1p n ARG 4 Ca 0.53 0.92 0.00 0.00 -1.93 0.00 0.00 57.85 57.37 3i1p n ARG 4 Cb 0.18 -5.53 0.00 0.00 -1.16 0.00 0.00 32.46 25.95 3i1p n ARG 4 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3i1p n LYS 5 N -2.85 2.02 -3.06 5.56 4.81 0.32 -5.09 118.16 119.86 3i1p n LYS 5 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 3i1p n LYS 5 Cb 0.66 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.71 3i1p n LYS 5 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3i1p n SER 6 N 0.00 0.00 0.00 3.14 2.88 -1.26 -5.13 113.62 113.25 3i1p n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i1p n SER 6 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i1p n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i1p n GLY 7 N -0.01 1.85 0.00 0.46 0.00 -1.26 -4.78 105.19 101.46 3i1p n GLY 7 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3i1p n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1p n ARG 8 N 12.98 0.00 0.10 1.61 0.63 -1.26 -5.03 116.66 125.69 3i1p n ARG 8 Ca 0.00 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.12 3i1p n ARG 8 Cb 0.00 0.00 0.76 0.00 0.45 0.00 0.00 32.46 33.67 3i1p n ARG 8 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 3i1p h GLN 9 N 0.00 0.00 0.00 -0.14 4.15 -1.96 -3.48 115.11 113.69 3i1p h GLN 9 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3i1p h GLN 9 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3i1p h GLN 9 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 178.18 3i1p n LEU 10 N -3.95 0.00 -3.13 -2.39 7.99 -1.26 -3.86 117.00 110.40 3i1p n LEU 10 Ca 0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 56.01 55.70 3i1p n LEU 10 Cb 0.51 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.84 3i1p n LEU 10 CO 0.30 -0.14 1.07 0.59 -1.51 0.00 0.00 177.39 177.70 3i1p n ASN 11 N -3.90 6.53 -0.74 -1.43 4.13 -1.26 -4.94 115.26 113.65 3i1p n ASN 11 Ca 0.00 -3.74 0.00 0.00 1.68 0.00 0.00 54.58 52.52 3i1p n ASN 11 Cb 0.00 -0.93 0.00 0.00 -1.54 0.00 0.00 39.78 37.31 3i1p n ASN 11 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3i1p n ARG 12 N -0.30 0.00 0.00 3.52 3.00 -1.25 -5.16 116.66 116.47 3i1p n ARG 12 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.30 3i1p n ARG 12 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.79 3i1p n ARG 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3i1p n ASN 13 N -1.10 0.00 0.07 6.15 0.23 -1.26 -4.95 115.26 114.40 3i1p n ASN 13 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3i1p n ASN 13 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3i1p n ASN 13 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3i1p n SER 14 N 0.00 0.17 0.00 0.53 7.64 -1.26 -4.59 113.62 116.11 3i1p n SER 14 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.10 3i1p n SER 14 Cb 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3i1p n SER 14 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i1p n SER 15 N -3.07 0.00 -0.04 6.43 3.41 -1.26 -0.26 113.62 118.82 3i1p n SER 15 Ca 0.00 0.12 -0.03 0.00 -0.26 0.00 0.00 58.87 58.70 3i1p n SER 15 Cb 0.00 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 63.82 3i1p n SER 15 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3i1p h HIS 16 N 0.00 0.00 0.00 7.33 6.17 -1.95 -3.05 115.15 123.65 3i1p h HIS 16 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3i1p h HIS 16 Cb 0.05 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.98 3i1p h HIS 16 CO 0.00 0.00 0.00 0.54 0.71 0.00 0.00 177.93 179.18 3i1p n ARG 17 N -3.76 0.65 0.00 5.26 1.74 0.33 0.29 116.66 121.18 3i1p n ARG 17 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3i1p n ARG 17 Cb 0.16 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3i1p n ARG 17 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i1p n GLN 18 N 0.86 1.06 -0.02 5.56 0.00 0.64 -4.72 117.38 120.77 3i1p n GLN 18 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.00 57.06 3i1p n GLN 18 Cb 0.33 -0.69 0.06 0.00 0.00 0.00 0.00 30.24 29.94 3i1p n GLN 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3i1p n ALA 19 N -1.30 2.45 -0.08 1.69 0.00 -0.45 -4.15 120.51 118.68 3i1p n ALA 19 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 53.44 52.65 3i1p n ALA 19 Cb 0.19 -0.38 -0.11 0.00 0.00 0.00 0.00 19.45 19.14 3i1p n ALA 19 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3i1p h MET 20 N 2.18 0.00 -0.72 0.00 1.85 0.41 -3.20 114.93 115.44 3i1p h MET 20 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3i1p h MET 20 Cb 0.49 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.52 3i1p h MET 20 CO 0.00 0.90 0.00 1.19 -0.40 0.00 0.00 176.91 178.60 3i1p n PHE 21 N -4.58 0.00 -0.77 1.39 3.01 -1.26 -0.53 117.46 114.73 3i1p n PHE 21 Ca -0.15 -0.02 0.02 0.00 1.01 0.00 0.00 57.45 58.31 3i1p n PHE 21 Cb 0.49 -0.08 0.03 0.00 -0.01 0.00 0.00 39.48 39.91 3i1p n PHE 21 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3i1p n ARG 22 N 0.19 1.39 0.00 -1.08 0.63 -1.21 -3.56 116.66 113.01 3i1p n ARG 22 Ca 0.00 -1.34 0.00 0.00 -0.92 0.00 0.00 57.85 55.59 3i1p n ARG 22 Cb 0.18 -0.88 0.00 0.00 0.45 0.00 0.00 32.46 32.21 3i1p n ARG 22 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3i1p n ASN 23 N -0.46 2.52 -0.07 6.15 3.02 0.31 -4.56 115.26 122.17 3i1p n ASN 23 Ca 0.03 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.69 3i1p n ASN 23 Cb 0.46 0.39 -0.01 0.00 -0.61 0.00 0.00 39.78 40.01 3i1p n ASN 23 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3i1p n MET 24 N -0.98 0.17 0.02 3.52 1.56 -0.11 -3.65 117.12 117.65 3i1p n MET 24 Ca 0.00 -0.13 0.11 0.00 -0.27 0.00 0.00 57.70 57.41 3i1p n MET 24 Cb 0.11 -1.50 0.03 0.00 2.15 0.00 0.00 33.22 34.02 3i1p n MET 24 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3i1p n ALA 25 N -1.30 3.67 -0.51 -5.12 0.00 -1.23 -3.80 120.51 112.21 3i1p n ALA 25 Ca 0.05 -0.43 0.09 0.00 0.00 0.00 0.00 53.44 53.15 3i1p n ALA 25 Cb 0.35 -0.96 0.31 0.00 0.00 0.00 0.00 19.45 19.15 3i1p n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 26 N 1.41 2.79 0.29 0.00 0.00 -1.25 -4.17 105.19 104.28 3i1p n GLY 26 Ca 0.03 -0.77 0.03 0.00 0.00 0.00 0.00 46.02 45.30 3i1p n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i1p n SER 27 N 1.04 1.97 -0.06 1.61 7.64 -1.24 -4.61 113.62 119.97 3i1p n SER 27 Ca 0.23 -1.60 -0.13 0.00 1.01 0.00 0.00 58.87 58.38 3i1p n SER 27 Cb 0.75 -0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.84 3i1p n SER 27 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3i1p n LEU 28 N 0.21 0.99 -3.54 -3.43 0.00 -1.26 -4.00 117.00 105.96 3i1p n LEU 28 Ca 0.05 0.17 -0.39 0.00 0.00 0.00 0.00 56.01 55.84 3i1p n LEU 28 Cb 0.24 -0.40 -0.03 0.00 0.00 0.00 0.00 43.42 43.23 3i1p n LEU 28 CO 0.04 0.20 2.47 1.33 0.00 0.00 0.00 177.39 181.43 3i1p n VAL 29 N -3.63 2.69 0.00 1.96 0.24 -1.26 0.31 118.33 118.64 3i1p n VAL 29 Ca -0.24 -2.10 0.00 0.00 -2.04 0.00 0.00 64.34 59.96 3i1p n VAL 29 Cb 0.64 -2.41 0.00 0.00 -1.47 0.00 0.00 33.84 30.61 3i1p n VAL 29 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3i1p n ARG 30 N 5.87 0.00 0.00 7.34 3.00 -1.26 -4.63 116.66 126.98 3i1p n ARG 30 Ca 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 58.39 3i1p n ARG 30 Cb 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.79 3i1p n ARG 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i1p n HIS 31 N 0.00 0.00 0.00 -0.14 8.25 -0.54 -5.00 115.22 117.79 3i1p n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i1p n HIS 31 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i1p n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3i1p n GLU 32 N -0.45 0.00 -4.42 -0.41 -0.58 0.92 -4.78 120.64 110.93 3i1p n GLU 32 Ca 0.01 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.54 3i1p n GLU 32 Cb 0.06 -3.49 -0.10 0.00 -0.57 0.00 0.00 31.44 27.33 3i1p n GLU 32 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i1p s ILE 33 N -0.10 1.54 -0.16 -3.67 1.01 -1.26 -1.81 121.20 116.74 3i1p s ILE 33 Ca 0.00 -2.10 -0.14 0.00 0.00 0.00 0.00 60.65 58.41 3i1p s ILE 33 Cb 0.00 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 40.04 3i1p s ILE 33 CO 0.00 -0.28 0.42 -0.63 0.00 0.00 0.00 174.94 174.46 3i1p s ILE 34 N -3.08 -0.00 -0.15 2.92 1.01 0.24 -4.47 121.20 117.66 3i1p s ILE 34 Ca 0.30 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.97 3i1p s ILE 34 Cb 0.04 -0.60 0.02 0.00 0.01 0.00 0.00 42.46 41.93 3i1p s ILE 34 CO 0.12 0.00 -0.20 -0.54 0.00 0.00 0.00 174.94 174.32 3i1p s LYS 35 N 0.34 2.85 0.00 2.79 1.02 -1.26 -0.91 119.74 124.57 3i1p s LYS 35 Ca -0.01 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.19 3i1p s LYS 35 Cb -0.03 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 3i1p s LYS 35 CO -0.01 -0.11 0.00 -2.37 -0.92 0.00 0.00 175.35 171.94 3i1p n THR 36 N 4.35 0.00 -1.85 2.17 5.66 -1.12 -4.95 114.28 118.54 3i1p n THR 36 Ca -0.20 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.39 3i1p n THR 36 Cb 0.51 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.28 3i1p n THR 36 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3i1p s THR 37 N -2.61 2.18 0.10 1.09 2.01 -1.26 0.32 115.64 117.47 3i1p s THR 37 Ca 0.00 0.17 -0.32 0.00 0.31 0.00 0.00 61.69 61.85 3i1p s THR 37 Cb 0.00 -3.11 -0.12 0.00 0.01 0.00 0.00 72.50 69.28 3i1p s THR 37 CO 0.00 0.04 1.59 0.25 -0.69 0.00 0.00 174.62 175.81 3i1p h LEU 38 N 3.58 -1.14 -0.76 4.42 5.85 -1.60 0.80 115.31 126.47 3i1p h LEU 38 Ca -0.49 0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.47 3i1p h LEU 38 Cb 1.23 0.41 -0.09 0.00 0.37 0.00 0.00 40.66 42.57 3i1p h LEU 38 CO 0.68 -0.52 0.32 -0.65 -0.34 0.00 0.00 178.44 177.94 3i1p h PRO 39 N -0.74 0.46 -0.14 5.25 0.11 -1.92 0.17 132.00 135.19 3i1p h PRO 39 Ca -0.01 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 3i1p h PRO 39 Cb 0.70 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3i1p h PRO 39 CO -0.14 0.31 -0.47 -0.22 -0.21 0.00 0.00 178.00 177.26 3i1p h LYS 40 N 0.48 0.36 -0.04 1.05 3.64 -1.76 -2.74 116.57 117.57 3i1p h LYS 40 Ca 0.41 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 3i1p h LYS 40 Cb 0.61 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3i1p h LYS 40 CO -0.39 0.76 -0.34 0.00 -2.27 0.00 0.00 179.45 177.22 3i1p h ALA 41 N 1.21 0.09 -0.99 5.00 0.00 0.13 -2.36 119.26 122.34 3i1p h ALA 41 Ca 0.02 -0.47 0.21 0.00 0.00 0.00 0.00 54.91 54.67 3i1p h ALA 41 Cb 0.94 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 3i1p h ALA 41 CO 0.08 0.17 0.62 0.87 0.00 0.00 0.00 179.25 180.99 3i1p h LYS 42 N -0.26 0.60 -0.23 0.00 1.57 -0.69 -1.43 116.57 116.13 3i1p h LYS 42 Ca -0.03 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.52 3i1p h LYS 42 Cb 1.03 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3i1p h LYS 42 CO 0.07 0.39 -0.60 0.93 -0.57 0.00 0.00 179.45 179.67 3i1p h GLU 43 N 0.61 0.76 -0.01 3.15 4.39 -1.43 -3.13 114.58 118.93 3i1p h GLU 43 Ca 0.56 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3i1p h GLU 43 Cb 1.08 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3i1p h GLU 43 CO -0.32 1.14 0.01 1.25 -1.16 0.00 0.00 179.01 179.93 3i1p h LEU 44 N 0.57 0.00 -0.15 1.33 5.85 -0.71 -2.25 115.31 119.95 3i1p h LEU 44 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3i1p h LEU 44 Cb 1.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3i1p h LEU 44 CO 0.13 0.00 0.02 0.03 -0.34 0.00 0.00 178.44 178.27 3i1p h ARG 45 N 0.00 0.26 0.00 1.25 3.08 -1.44 0.78 114.38 118.31 3i1p h ARG 45 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3i1p h ARG 45 Cb 0.03 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i1p h ARG 45 CO -0.00 0.45 0.00 0.54 -1.07 0.00 0.00 179.97 179.89 3i1p n ARG 46 N -4.78 0.25 0.00 0.04 1.74 -0.84 -1.60 116.66 111.46 3i1p n ARG 46 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3i1p n ARG 46 Cb 0.19 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 3i1p n ARG 46 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i1p n VAL 47 N -0.58 0.00 -0.15 1.55 0.31 -1.00 -4.66 118.33 113.80 3i1p n VAL 47 Ca 0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.27 3i1p n VAL 47 Cb 0.00 -0.77 0.10 0.00 -0.91 0.00 0.00 33.84 32.26 3i1p n VAL 47 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3i1p h VAL 48 N 0.00 1.26 -0.07 2.52 2.07 -0.55 -3.14 116.25 118.34 3i1p h VAL 48 Ca 0.00 -1.11 -0.19 0.00 0.82 0.00 0.00 66.70 66.22 3i1p h VAL 48 Cb 0.65 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3i1p h VAL 48 CO 0.00 0.39 -0.69 -0.33 0.02 0.00 0.00 177.57 176.96 3i1p h GLU 49 N 0.83 0.59 0.00 1.57 5.08 -1.53 -3.10 114.58 118.02 3i1p h GLU 49 Ca 0.15 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3i1p h GLU 49 Cb 0.53 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3i1p h GLU 49 CO 0.03 1.16 0.00 -1.35 -1.00 0.00 0.00 179.01 177.85 3i1p h PRO 50 N 0.21 0.00 -0.00 2.33 0.11 -1.77 -0.14 132.00 132.74 3i1p h PRO 50 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3i1p h PRO 50 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3i1p h PRO 50 CO 0.14 0.00 -0.00 1.28 -0.21 0.00 0.00 178.00 179.20 3i1p n LEU 51 N -2.87 0.16 -0.06 2.35 4.77 -1.17 -3.50 117.00 116.68 3i1p n LEU 51 Ca -0.00 -0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 55.93 3i1p n LEU 51 Cb 0.21 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 3i1p n LEU 51 CO 0.23 0.03 -0.91 -0.38 -1.33 0.00 0.00 177.39 175.03 3i1p n ILE 52 N -0.92 0.77 0.38 -0.08 5.41 -0.08 -3.25 119.36 121.59 3i1p n ILE 52 Ca 0.22 -0.55 0.12 0.00 1.00 0.00 0.00 62.75 63.54 3i1p n ILE 52 Cb 0.16 -0.45 0.24 0.00 -0.71 0.00 0.00 39.64 38.87 3i1p n ILE 52 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3i1p h THR 53 N 0.00 0.00 0.00 1.39 2.02 -1.57 0.27 112.91 115.03 3i1p h THR 53 Ca -0.31 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.09 3i1p h THR 53 Cb 1.63 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.75 3i1p h THR 53 CO 0.02 0.00 -1.55 0.00 0.37 0.00 0.00 175.52 174.36 3i1p n LEU 54 N -2.70 0.34 -0.03 2.58 -0.00 -1.24 -3.89 117.00 112.05 3i1p n LEU 54 Ca 0.04 -0.18 0.13 0.00 -0.00 0.00 0.00 56.01 56.00 3i1p n LEU 54 Cb 0.49 0.00 0.47 0.00 -0.00 0.00 0.00 43.42 44.38 3i1p n LEU 54 CO 0.33 0.08 0.74 0.00 -0.00 0.00 0.00 177.39 178.55 3i1p n ALA 55 N -1.93 2.92 0.32 1.47 0.00 -1.08 -3.36 120.51 118.84 3i1p n ALA 55 Ca -0.01 -0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.32 3i1p n ALA 55 Cb 0.44 -1.30 0.33 0.00 0.00 0.00 0.00 19.45 18.93 3i1p n ALA 55 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i1p h LYS 56 N 0.16 0.00 0.00 0.00 3.64 -0.57 -2.96 116.57 116.84 3i1p h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i1p h LYS 56 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3i1p h LYS 56 CO 0.00 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.43 3i1p n THR 57 N -2.90 0.00 0.00 1.00 -2.24 -1.21 -4.72 114.28 104.21 3i1p n THR 57 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3i1p n THR 57 Cb 0.45 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3i1p n THR 57 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i1p n ASP 58 N 0.00 0.00 -1.28 3.42 4.64 -1.26 -4.76 116.55 117.31 3i1p n ASP 58 Ca 0.00 0.00 0.07 0.00 -1.38 0.00 0.00 54.79 53.48 3i1p n ASP 58 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.04 3i1p n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3i1p n SER 59 N 0.00 -6.91 0.17 1.67 2.88 -1.26 -3.30 113.62 106.86 3i1p n SER 59 Ca 0.00 1.43 0.11 0.00 -1.33 0.00 0.00 58.87 59.08 3i1p n SER 59 Cb 0.00 -4.18 0.60 0.00 -0.75 0.00 0.00 64.21 59.88 3i1p n SER 59 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3i1p n VAL 60 N -3.19 0.99 0.00 2.46 0.24 -1.26 -3.19 118.33 114.38 3i1p n VAL 60 Ca -0.04 0.71 0.00 0.00 -2.04 0.00 0.00 64.34 62.97 3i1p n VAL 60 Cb 0.49 -1.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.16 3i1p n VAL 60 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1p n ALA 61 N -1.79 -0.23 -2.51 2.33 0.00 -1.26 -4.33 120.51 112.71 3i1p n ALA 61 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 3i1p n ALA 61 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 3i1p n ALA 61 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3i1p s ASN 62 N -2.17 7.13 0.00 0.00 -0.87 -1.19 -2.08 114.94 115.76 3i1p s ASN 62 Ca 0.00 1.83 0.00 0.00 -1.57 0.00 0.00 52.86 53.12 3i1p s ASN 62 Cb 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 3i1p s ASN 62 CO 0.00 -0.48 0.00 -1.14 -2.57 0.00 0.00 177.10 172.91 3i1p n ARG 63 N 4.54 0.00 0.02 -0.60 3.00 -1.26 -4.49 116.66 117.87 3i1p n ARG 63 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.92 3i1p n ARG 63 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.93 3i1p n ARG 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i1p n ARG 64 N 0.00 0.10 -0.29 -0.14 1.74 -0.88 -3.74 116.66 113.45 3i1p n ARG 64 Ca 0.00 0.04 -0.02 0.00 -0.77 0.00 0.00 57.85 57.10 3i1p n ARG 64 Cb 0.00 -0.67 0.16 0.00 -1.02 0.00 0.00 32.46 30.93 3i1p n ARG 64 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i1p h LEU 65 N -0.18 1.01 -0.44 0.55 4.07 -1.81 1.33 115.31 119.84 3i1p h LEU 65 Ca -0.02 -0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.82 3i1p h LEU 65 Cb 0.31 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 3i1p h LEU 65 CO -0.01 0.78 -0.32 0.00 -1.08 0.00 0.00 178.44 177.81 3i1p h ALA 66 N 1.40 0.86 -0.05 1.53 0.00 -1.83 -3.09 119.26 118.07 3i1p h ALA 66 Ca 0.30 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3i1p h ALA 66 Cb -0.05 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3i1p h ALA 66 CO -0.06 0.40 -0.36 0.35 0.00 0.00 0.00 179.25 179.58 3i1p h PHE 67 N 0.00 0.45 -0.49 0.00 3.04 -1.27 -3.32 116.94 115.35 3i1p h PHE 67 Ca -0.00 -0.21 0.05 0.00 3.98 0.00 0.00 57.97 61.78 3i1p h PHE 67 Cb 1.07 -0.06 -0.07 0.00 2.56 0.00 0.00 35.95 39.46 3i1p h PHE 67 CO 0.00 0.98 -0.35 0.00 -2.02 0.00 0.00 178.31 176.91 3i1p h ALA 68 N 0.38 -0.42 -2.42 2.41 0.00 0.18 -3.06 119.26 116.33 3i1p h ALA 68 Ca -0.03 0.05 -0.54 0.00 0.00 0.00 0.00 54.91 54.39 3i1p h ALA 68 Cb 1.04 1.14 0.00 0.00 0.00 0.00 0.00 17.79 19.97 3i1p h ALA 68 CO 0.07 -0.65 0.74 -0.98 0.00 0.00 0.00 179.25 178.44 3i1p s ARG 69 N -4.55 4.33 -0.76 0.00 3.03 -1.18 -3.74 118.95 116.08 3i1p s ARG 69 Ca -0.08 1.91 -0.00 0.00 2.03 0.00 0.00 55.73 59.59 3i1p s ARG 69 Cb 0.06 -3.46 -0.00 0.00 -1.03 0.00 0.00 34.95 30.52 3i1p s ARG 69 CO 0.38 -0.47 0.71 2.41 -1.13 0.00 0.00 175.30 177.19 3i1p n THR 70 N 4.37 -9.79 -1.54 4.99 -1.04 -1.26 -4.80 114.28 105.21 3i1p n THR 70 Ca 0.12 -0.29 -0.35 0.00 -2.04 0.00 0.00 64.05 61.48 3i1p n THR 70 Cb 0.44 -6.72 -0.06 0.00 -1.82 0.00 0.00 70.33 62.17 3i1p n THR 70 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3i1p n ARG 71 N -1.90 0.75 -3.15 -2.82 0.63 -1.15 -4.76 116.66 104.26 3i1p n ARG 71 Ca -0.02 -0.07 0.06 0.00 -0.92 0.00 0.00 57.85 56.90 3i1p n ARG 71 Cb 0.52 -2.99 -0.02 0.00 0.45 0.00 0.00 32.46 30.42 3i1p n ARG 71 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3i1p s ASP 72 N 11.20 -0.17 0.41 6.15 3.68 -1.26 -5.03 116.67 131.65 3i1p s ASP 72 Ca 1.07 0.09 0.25 0.00 2.13 0.00 0.00 52.55 56.09 3i1p s ASP 72 Cb -0.42 1.13 0.58 0.00 -1.45 0.00 0.00 42.92 42.76 3i1p s ASP 72 CO 0.31 -0.03 1.69 0.78 0.13 0.00 0.00 175.17 178.05 3i1p h ASN 73 N 7.82 0.00 -0.28 -0.34 4.21 -1.96 -2.05 115.58 122.99 3i1p h ASN 73 Ca -0.11 0.00 0.08 0.00 1.21 0.00 0.00 56.30 57.48 3i1p h ASN 73 Cb 1.18 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.37 3i1p h ASN 73 CO -0.19 0.00 0.21 -0.08 -1.29 0.00 0.00 177.43 176.08 3i1p h GLU 74 N 0.00 0.00 0.00 0.81 4.81 -1.96 0.26 114.58 118.49 3i1p h GLU 74 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i1p h GLU 74 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3i1p h GLU 74 CO 0.00 0.00 -1.41 0.44 -0.73 0.00 0.00 179.01 177.31 3i1p n ILE 75 N -4.34 0.00 0.56 2.32 -6.64 -1.04 -2.70 119.36 107.52 3i1p n ILE 75 Ca 0.04 -0.29 0.13 0.00 -1.77 0.00 0.00 62.75 60.85 3i1p n ILE 75 Cb 0.37 0.42 0.44 0.00 -1.44 0.00 0.00 39.64 39.43 3i1p n ILE 75 CO 0.00 0.00 0.00 1.33 -1.77 0.00 0.00 176.55 176.11 3i1p n VAL 76 N -1.83 0.66 -0.04 7.28 0.24 -0.80 -1.54 118.33 122.30 3i1p n VAL 76 Ca -0.01 -0.12 -0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3i1p n VAL 76 Cb 0.36 -0.77 -0.00 0.00 -1.47 0.00 0.00 33.84 31.96 3i1p n VAL 76 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1p h ALA 77 N 2.45 0.00 -0.14 2.33 0.00 -0.59 -3.33 119.26 119.98 3i1p h ALA 77 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3i1p h ALA 77 Cb 0.62 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3i1p h ALA 77 CO 0.00 0.04 0.32 -0.22 0.00 0.00 0.00 179.25 179.39 3i1p h LYS 78 N -0.76 0.00 -6.57 0.00 1.63 -1.57 -3.31 116.57 105.99 3i1p h LYS 78 Ca 0.00 0.00 -0.46 0.00 -0.85 0.00 0.00 60.65 59.34 3i1p h LYS 78 Cb 0.04 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.69 3i1p h LYS 78 CO 0.00 0.00 -0.17 -0.51 -3.45 0.00 0.00 179.45 175.32 3i1p s LEU 79 N -6.50 3.86 0.00 5.20 1.43 -0.59 -3.16 118.68 118.92 3i1p s LEU 79 Ca -0.04 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 3i1p s LEU 79 Cb 0.12 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.16 3i1p s LEU 79 CO 0.40 -0.48 0.00 0.49 0.23 0.00 0.00 176.35 176.99 3i1p n PHE 80 N -1.89 0.00 -0.28 0.29 3.72 -1.12 -4.28 117.46 113.90 3i1p n PHE 80 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 3i1p n PHE 80 Cb 0.57 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.30 3i1p n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3i1p n ASN 81 N 1.04 3.77 0.00 4.37 4.13 -1.25 -4.24 115.26 123.07 3i1p n ASN 81 Ca 0.00 -2.77 0.00 0.00 1.68 0.00 0.00 54.58 53.49 3i1p n ASN 81 Cb 0.00 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 37.58 3i1p n ASN 81 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3i1p n GLU 82 N -0.00 0.00 0.14 3.52 2.13 -1.25 -4.96 120.64 120.22 3i1p n GLU 82 Ca 0.26 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.08 3i1p n GLU 82 Cb 1.02 0.00 0.25 0.00 0.27 0.00 0.00 31.44 32.98 3i1p n GLU 82 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3i1p h LEU 83 N 0.00 0.07 -0.18 4.31 4.07 -1.82 0.30 115.31 122.05 3i1p h LEU 83 Ca 0.00 -0.03 0.04 0.00 0.08 0.00 0.00 57.88 57.97 3i1p h LEU 83 Cb 0.00 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 3i1p h LEU 83 CO 0.00 0.54 -0.09 1.23 -1.08 0.00 0.00 178.44 179.04 3i1p h GLY 84 N 1.41 0.07 0.44 0.83 0.00 -1.73 0.30 103.07 104.39 3i1p h GLY 84 Ca -0.00 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 3i1p h GLY 84 CO 0.07 -0.11 -0.21 -2.55 0.00 0.00 0.00 176.54 173.73 3i1p h PRO 85 N -0.07 -0.57 -0.93 4.80 0.11 -1.70 -1.82 132.00 131.82 3i1p h PRO 85 Ca 0.10 0.04 0.27 0.00 0.11 0.00 0.00 66.00 66.52 3i1p h PRO 85 Cb 0.22 0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 3i1p h PRO 85 CO -0.23 -0.38 0.70 0.00 -0.21 0.00 0.00 178.00 177.88 3i1p h ARG 86 N -1.03 0.00 -0.26 1.05 3.08 -0.44 0.29 114.38 117.08 3i1p h ARG 86 Ca -0.06 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.83 3i1p h ARG 86 Cb 0.46 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.40 3i1p h ARG 86 CO 0.10 0.00 -0.35 1.19 -1.07 0.00 0.00 179.97 179.84 3i1p n PHE 87 N -4.14 0.87 -0.00 3.04 3.72 0.11 -4.61 117.46 116.45 3i1p n PHE 87 Ca 0.19 -1.68 -0.20 0.00 -0.05 0.00 0.00 57.45 55.71 3i1p n PHE 87 Cb 1.02 -0.39 -0.14 0.00 -0.94 0.00 0.00 39.48 39.04 3i1p n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i1p h ALA 88 N 1.19 0.09 -0.15 4.37 0.00 0.50 -3.34 119.26 121.91 3i1p h ALA 88 Ca 0.15 -0.92 0.04 0.00 0.00 0.00 0.00 54.91 54.18 3i1p h ALA 88 Cb 1.32 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 3i1p h ALA 88 CO 0.29 0.58 -0.12 0.66 0.00 0.00 0.00 179.25 180.67 3i1p h SER 89 N -0.49 -0.38 -2.91 0.00 4.64 -1.82 -3.44 113.55 109.16 3i1p h SER 89 Ca -0.23 0.08 -0.40 0.00 -0.47 0.00 0.00 61.79 60.77 3i1p h SER 89 Cb 1.58 0.19 0.22 0.00 -0.31 0.00 0.00 62.40 64.08 3i1p h SER 89 CO 0.05 -0.16 -0.20 -1.14 -0.87 0.00 0.00 176.83 174.51 3i1p n ARG 90 N -5.27 -3.36 -2.69 4.77 0.63 -1.26 -5.04 116.66 104.45 3i1p n ARG 90 Ca -0.03 -0.97 -0.05 0.00 -0.92 0.00 0.00 57.85 55.88 3i1p n ARG 90 Cb 0.19 -1.99 0.06 0.00 0.45 0.00 0.00 32.46 31.17 3i1p n ARG 90 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1p n ALA 91 N -5.26 -3.04 0.00 5.13 0.00 -1.26 -5.02 120.51 111.06 3i1p n ALA 91 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3i1p n ALA 91 Cb 0.56 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.28 3i1p n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 92 N 1.80 -0.37 3.54 0.00 0.00 -1.26 -5.06 105.19 103.83 3i1p n GLY 92 Ca 0.06 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3i1p n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1p s GLY 93 N 0.00 1.72 -0.09 -0.02 0.00 -1.26 -4.70 107.32 102.97 3i1p s GLY 93 Ca 0.00 -2.80 0.10 0.00 0.00 0.00 0.00 44.72 42.02 3i1p s GLY 93 CO 0.00 2.50 1.27 -1.72 0.00 0.00 0.00 173.10 175.14 3i1p n TYR 94 N 7.77 1.00 -3.70 1.90 4.01 -1.26 -4.71 117.16 122.17 3i1p n TYR 94 Ca 0.39 -0.38 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 3i1p n TYR 94 Cb 0.47 -0.22 -0.11 0.00 -0.31 0.00 0.00 39.34 39.18 3i1p n TYR 94 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3i1p s THR 95 N -1.81 -0.02 0.15 -0.72 -1.32 -1.26 -2.61 115.64 108.04 3i1p s THR 95 Ca 0.31 0.07 0.07 0.00 -1.21 0.00 0.00 61.69 60.93 3i1p s THR 95 Cb 0.21 -0.60 -0.04 0.00 -1.51 0.00 0.00 72.50 70.56 3i1p s THR 95 CO 0.13 0.03 -0.00 -0.60 -2.21 0.00 0.00 174.62 171.97 3i1p s ARG 96 N 1.10 2.43 -0.21 7.08 6.06 -0.27 -4.87 118.95 130.28 3i1p s ARG 96 Ca -0.07 -1.03 -0.02 0.00 -2.50 0.00 0.00 55.73 52.11 3i1p s ARG 96 Cb -0.07 -2.41 -0.20 0.00 0.06 0.00 0.00 34.95 32.33 3i1p s ARG 96 CO -0.09 0.48 -0.00 0.44 -2.50 0.00 0.00 175.30 173.62 3i1p n ILE 97 N 0.10 1.60 -3.73 4.11 -5.35 -1.26 -2.47 119.36 112.35 3i1p n ILE 97 Ca -0.10 -0.58 -0.27 0.00 -0.27 0.00 0.00 62.75 61.52 3i1p n ILE 97 Cb 0.54 -1.57 0.01 0.00 -1.74 0.00 0.00 39.64 36.88 3i1p n ILE 97 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3i1p n LEU 98 N -3.40 -0.81 -4.72 7.28 4.32 -1.25 -2.51 117.00 115.89 3i1p n LEU 98 Ca -0.41 -0.88 -0.41 0.00 -0.02 0.00 0.00 56.01 54.29 3i1p n LEU 98 Cb 1.00 -1.23 -0.04 0.00 -1.62 0.00 0.00 43.42 41.54 3i1p n LEU 98 CO 0.31 0.47 0.70 -1.59 -1.22 0.00 0.00 177.39 176.06 3i1p s LYS 99 N -5.46 4.62 0.00 3.23 -2.85 -1.26 -2.27 119.74 115.75 3i1p s LYS 99 Ca 0.17 1.48 0.00 0.00 -1.00 0.00 0.00 55.97 56.62 3i1p s LYS 99 Cb -0.09 -3.40 0.00 0.00 -2.06 0.00 0.00 37.83 32.28 3i1p s LYS 99 CO 0.72 0.07 0.00 0.00 0.10 0.00 0.00 175.35 176.24 3i1p n GLY 101 N 2.55 3.82 2.41 0.00 0.00 -1.03 -4.91 105.19 108.02 3i1p n GLY 101 Ca 0.00 -1.53 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 3i1p n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1p n PHE 102 N -1.10 -3.44 -3.03 1.61 3.72 -1.25 -4.63 117.46 109.33 3i1p n PHE 102 Ca 0.00 1.83 -0.37 0.00 -0.05 0.00 0.00 57.45 58.86 3i1p n PHE 102 Cb 0.00 -3.47 -0.06 0.00 -0.94 0.00 0.00 39.48 35.01 3i1p n PHE 102 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3i1p s ARG 103 N -0.96 4.40 0.00 -1.08 3.52 -0.86 -4.87 118.95 119.10 3i1p s ARG 103 Ca -0.14 1.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.47 3i1p s ARG 103 Cb 0.01 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 3i1p s ARG 103 CO 0.63 0.46 0.00 0.00 -0.81 0.00 0.00 175.30 175.58 3i1p n ALA 104 N 1.06 0.00 -1.00 6.12 0.00 -1.26 -3.89 120.51 121.54 3i1p n ALA 104 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i1p n ALA 104 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3i1p n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 105 N 0.00 -0.19 3.76 0.00 0.00 -1.26 -4.38 105.19 103.12 3i1p n GLY 105 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i1p n GLY 105 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i1p s ASP 106 N -2.92 6.71 -1.28 1.61 1.47 -1.26 -4.89 116.67 116.12 3i1p s ASP 106 Ca 0.00 2.68 -0.15 0.00 1.18 0.00 0.00 52.55 56.26 3i1p s ASP 106 Cb 0.00 -2.64 -0.03 0.00 -0.34 0.00 0.00 42.92 39.92 3i1p s ASP 106 CO 0.00 -0.62 2.21 -3.20 0.68 0.00 0.00 175.17 174.24 3i1p n ASN 107 N 1.53 4.01 -4.32 2.11 4.05 -1.25 -3.70 115.26 117.68 3i1p n ASN 107 Ca 0.03 -2.75 -0.33 0.00 0.45 0.00 0.00 54.58 51.97 3i1p n ASN 107 Cb 0.41 -1.49 -0.14 0.00 1.23 0.00 0.00 39.78 39.79 3i1p n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i1p s ALA 108 N 3.58 2.63 -0.21 5.20 0.00 -1.26 -4.83 121.76 126.87 3i1p s ALA 108 Ca 0.51 -1.00 -0.35 0.00 0.00 0.00 0.00 51.96 51.13 3i1p s ALA 108 Cb 0.14 -1.32 -0.12 0.00 0.00 0.00 0.00 23.12 21.82 3i1p s ALA 108 CO -0.03 0.02 1.97 -0.35 0.00 0.00 0.00 175.76 177.36 3i1p n PRO 109 N 3.96 1.68 -3.49 0.00 -0.04 -1.26 -2.03 135.00 133.81 3i1p n PRO 109 Ca -0.18 0.57 -0.20 0.00 -0.04 0.00 0.00 63.50 63.65 3i1p n PRO 109 Cb 0.52 -2.54 -0.02 0.00 -0.04 0.00 0.00 33.50 31.42 3i1p n PRO 109 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3i1p s MET 110 N 4.74 2.76 0.00 0.54 -1.94 -1.26 -1.82 119.30 122.32 3i1p s MET 110 Ca 0.99 -1.30 0.00 0.00 -1.71 0.00 0.00 55.69 53.67 3i1p s MET 110 Cb -0.78 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 33.48 3i1p s MET 110 CO 0.53 -0.08 0.00 0.00 -0.01 0.00 0.00 175.02 175.45 3i1p n ALA 111 N -1.59 0.00 -3.08 3.03 0.00 0.15 -2.47 120.51 116.55 3i1p n ALA 111 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 3i1p n ALA 111 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 3i1p n ALA 111 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i1p n TYR 112 N 0.00 -1.79 -2.50 0.00 4.01 -0.96 -2.80 117.16 113.12 3i1p n TYR 112 Ca 0.00 -2.71 -0.43 0.00 -0.16 0.00 0.00 57.90 54.60 3i1p n TYR 112 Cb 0.00 0.56 -0.02 0.00 -0.31 0.00 0.00 39.34 39.57 3i1p n TYR 112 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 3i1p s ILE 113 N -0.06 4.39 -0.02 -0.72 2.07 -0.09 -3.94 121.20 122.82 3i1p s ILE 113 Ca 0.33 1.69 -0.10 0.00 -1.41 0.00 0.00 60.65 61.16 3i1p s ILE 113 Cb 0.11 -4.09 0.01 0.00 0.13 0.00 0.00 42.46 38.63 3i1p s ILE 113 CO -0.15 -0.06 0.20 -0.70 -1.91 0.00 0.00 174.94 172.32 3i1p s GLU 114 N 2.67 0.51 0.28 3.50 -6.30 -1.03 0.81 118.70 119.13 3i1p s GLU 114 Ca 0.53 -0.23 -0.30 0.00 -2.50 0.00 0.00 54.97 52.47 3i1p s GLU 114 Cb -0.22 0.22 -0.11 0.00 0.00 0.00 0.00 34.13 34.02 3i1p s GLU 114 CO 0.17 -0.12 1.55 -0.51 0.02 0.00 0.00 175.26 176.37 3i1p s LEU 115 N -1.14 4.36 0.32 2.70 1.43 -0.75 -1.11 118.68 124.48 3i1p s LEU 115 Ca -0.12 2.87 0.04 0.00 -1.03 0.00 0.00 54.13 55.90 3i1p s LEU 115 Cb -0.06 -3.63 0.66 0.00 0.03 0.00 0.00 46.19 43.19 3i1p s LEU 115 CO 0.02 -0.85 1.87 0.58 0.23 0.00 0.00 176.35 178.20 3i1p h VAL 116 N 3.42 0.92 -0.31 -1.59 2.07 -1.78 -1.83 116.25 117.14 3i1p h VAL 116 Ca -0.47 -0.30 -0.19 0.00 0.82 0.00 0.00 66.70 66.57 3i1p h VAL 116 Cb 1.22 -0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 3i1p h VAL 116 CO 0.79 0.16 0.24 -0.90 0.02 0.00 0.00 177.57 177.88 3i1p n ASP 117 N -4.57 4.75 -1.58 0.57 3.85 -1.26 -4.39 116.55 113.92 3i1p n ASP 117 Ca 0.17 -2.68 -0.10 0.00 -0.71 0.00 0.00 54.79 51.47 3i1p n ASP 117 Cb 0.37 -0.86 0.05 0.00 -1.35 0.00 0.00 41.12 39.32 3i1p n ASP 117 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 3i1p n ARG 118 N 0.40 1.50 -0.67 0.11 0.63 -0.69 -4.73 116.66 113.21 3i1p n ARG 118 Ca 0.19 -1.09 -0.18 0.00 -0.92 0.00 0.00 57.85 55.85 3i1p n ARG 118 Cb 0.70 -1.43 -0.03 0.00 0.45 0.00 0.00 32.46 32.15 3i1p n ARG 118 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3i1p n SER 119 N 0.24 4.33 0.00 6.15 3.41 -1.26 -5.11 113.62 121.38 3i1p n SER 119 Ca 0.21 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 3i1p n SER 119 Cb 0.76 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3i1p n SER 119 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09