#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n LYS 3 N 0.00 0.00 0.03 -0.67 4.01 -1.26 -1.85 118.16 118.42 3i1p n LYS 3 Ca 0.00 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.60 3i1p n LYS 3 Cb 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.42 3i1p n LYS 3 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 3i1p h LYS 4 N 0.00 0.72 0.00 1.97 1.63 -2.06 -1.98 116.57 116.85 3i1p h LYS 4 Ca 0.00 -0.73 0.00 0.00 -0.85 0.00 0.00 60.65 59.07 3i1p h LYS 4 Cb 0.00 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3i1p h LYS 4 CO 0.00 1.31 0.00 0.43 -3.45 0.00 0.00 179.45 177.74 3i1p n SER 5 N -3.89 0.00 -0.10 4.20 7.64 -0.77 -1.97 113.62 118.73 3i1p n SER 5 Ca -0.10 0.01 -0.15 0.00 1.01 0.00 0.00 58.87 59.64 3i1p n SER 5 Cb 0.85 -0.21 -0.09 0.00 -1.01 0.00 0.00 64.21 63.75 3i1p n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1p n ALA 6 N -1.21 1.56 -1.00 -0.43 0.00 -1.14 -4.35 120.51 113.95 3i1p n ALA 6 Ca 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.63 3i1p n ALA 6 Cb 0.07 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3i1p n ALA 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1p n ARG 7 N -3.17 0.00 -0.07 0.00 0.63 -0.76 -3.88 116.66 109.41 3i1p n ARG 7 Ca -0.37 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.55 3i1p n ARG 7 Cb 0.88 -0.87 -0.02 0.00 0.45 0.00 0.00 32.46 32.90 3i1p n ARG 7 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3i1p n ILE 8 N -0.38 -0.12 -0.16 5.15 -0.00 -1.11 0.02 119.36 122.77 3i1p n ILE 8 Ca 0.00 0.49 0.13 0.00 -0.00 0.00 0.00 62.75 63.37 3i1p n ILE 8 Cb 0.00 -0.62 0.47 0.00 -0.00 0.00 0.00 39.64 39.49 3i1p n ILE 8 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 3i1p h ARG 9 N 0.00 0.48 -0.45 0.38 0.11 -1.84 0.19 114.38 113.25 3i1p h ARG 9 Ca 0.03 -0.03 0.09 0.00 0.10 0.00 0.00 59.98 60.16 3i1p h ARG 9 Cb 0.07 -0.11 -0.07 0.00 1.11 0.00 0.00 29.97 30.97 3i1p h ARG 9 CO -0.16 0.32 -0.01 0.00 0.10 0.00 0.00 179.97 180.22 3i1p h ARG 10 N 0.50 0.10 0.00 0.08 3.08 -0.52 -1.83 114.38 115.80 3i1p h ARG 10 Ca 0.35 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3i1p h ARG 10 Cb 0.66 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3i1p h ARG 10 CO -0.12 0.07 -0.29 0.00 -1.07 0.00 0.00 179.97 178.56 3i1p h ALA 11 N 1.40 0.84 0.00 0.04 0.00 -0.86 -3.19 119.26 117.49 3i1p h ALA 11 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i1p h ALA 11 Cb 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i1p h ALA 11 CO -0.38 0.00 -0.01 1.15 0.00 0.00 0.00 179.25 180.01 3i1p h THR 12 N 0.00 0.05 0.00 0.00 2.02 0.11 0.39 112.91 115.47 3i1p h THR 12 Ca 0.00 -0.17 -0.19 0.00 0.77 0.00 0.00 66.41 66.82 3i1p h THR 12 Cb 0.90 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3i1p h THR 12 CO 0.00 0.01 -0.90 -0.09 0.37 0.00 0.00 175.52 174.91 3i1p h ARG 13 N 0.00 0.00 0.10 6.66 2.43 -1.51 -3.16 114.38 118.91 3i1p h ARG 13 Ca -0.00 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.89 3i1p h ARG 13 Cb 0.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3i1p h ARG 13 CO 0.00 0.90 -1.45 0.00 -1.51 0.00 0.00 179.97 177.91 3i1p h ALA 14 N 1.10 0.21 -0.56 2.80 0.00 -0.87 -2.42 119.26 119.52 3i1p h ALA 14 Ca -0.01 -1.13 -0.01 0.00 0.00 0.00 0.00 54.91 53.76 3i1p h ALA 14 Cb 1.67 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 19.96 3i1p h ALA 14 CO 0.12 0.86 0.30 0.00 0.00 0.00 0.00 179.25 180.53 3i1p h ARG 15 N -0.33 0.79 0.00 0.00 3.08 -0.56 0.70 114.38 118.05 3i1p h ARG 15 Ca -0.32 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.49 3i1p h ARG 15 Cb 1.74 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.62 3i1p h ARG 15 CO 0.04 0.61 -0.68 -0.09 -1.07 0.00 0.00 179.97 178.78 3i1p h ARG 16 N 0.75 0.00 -0.27 0.04 9.65 -1.70 0.16 114.38 123.02 3i1p h ARG 16 Ca 0.20 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.95 3i1p h ARG 16 Cb 0.06 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 3i1p h ARG 16 CO -0.03 0.68 -0.36 -0.22 2.80 0.00 0.00 179.97 182.84 3i1p h LYS 17 N 0.00 0.61 0.00 0.20 3.11 -1.13 -1.79 116.57 117.56 3i1p h LYS 17 Ca -0.01 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.54 3i1p h LYS 17 Cb 1.26 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 3i1p h LYS 17 CO 0.09 0.88 0.00 1.28 -2.81 0.00 0.00 179.45 178.88 3i1p n LEU 18 N -4.05 0.00 -0.01 5.20 4.77 0.24 -2.04 117.00 121.10 3i1p n LEU 18 Ca -0.01 0.31 0.02 0.00 -0.03 0.00 0.00 56.01 56.29 3i1p n LEU 18 Cb 0.49 -0.31 -0.13 0.00 -2.33 0.00 0.00 43.42 41.15 3i1p n LEU 18 CO 0.45 -0.09 -0.67 1.67 -1.33 0.00 0.00 177.39 177.42 3i1p n GLN 19 N -1.31 0.65 0.00 3.23 -0.06 0.46 -1.29 117.38 119.06 3i1p n GLN 19 Ca 0.10 0.01 0.14 0.00 -2.00 0.00 0.00 57.00 55.25 3i1p n GLN 19 Cb 0.18 -1.63 0.64 0.00 -4.06 0.00 0.00 30.24 25.36 3i1p n GLN 19 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 3i1p n GLU 20 N -2.63 0.09 0.00 3.69 2.13 -0.74 -4.44 120.64 118.74 3i1p n GLU 20 Ca -0.14 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.69 3i1p n GLU 20 Cb 0.82 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.03 3i1p n GLU 20 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i1p n LEU 21 N -1.46 0.00 0.00 4.31 4.77 -0.98 -5.09 117.00 118.55 3i1p n LEU 21 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3i1p n LEU 21 Cb 0.31 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3i1p n LEU 21 CO 0.26 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3i1p n GLY 22 N 2.87 0.37 7.00 -0.72 0.00 -0.41 -5.08 105.19 109.21 3i1p n GLY 22 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3i1p n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1p n ALA 23 N -1.00 0.00 -2.48 4.61 0.00 -1.26 -4.80 120.51 115.58 3i1p n ALA 23 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3i1p n ALA 23 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 3i1p n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i1p s THR 24 N 0.00 1.77 -0.06 0.00 -4.23 -1.26 -3.21 115.64 108.65 3i1p s THR 24 Ca 0.00 -1.36 -0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3i1p s THR 24 Cb 0.00 -1.56 -0.03 0.00 1.34 0.00 0.00 72.50 72.25 3i1p s THR 24 CO 0.00 0.13 -0.02 -0.13 -0.54 0.00 0.00 174.62 174.07 3i1p s ARG 25 N -1.47 2.88 -1.04 3.99 0.52 -1.25 -2.31 118.95 120.27 3i1p s ARG 25 Ca 0.08 -0.49 -0.13 0.00 -0.52 0.00 0.00 55.73 54.67 3i1p s ARG 25 Cb -0.09 -2.71 0.22 0.00 0.52 0.00 0.00 34.95 32.88 3i1p s ARG 25 CO 0.03 0.68 1.11 -1.17 0.02 0.00 0.00 175.30 175.97 3i1p s LEU 26 N -1.01 5.93 -0.61 2.53 2.96 -1.18 -3.44 118.68 123.86 3i1p s LEU 26 Ca 0.14 -2.99 -0.26 0.00 -0.22 0.00 0.00 54.13 50.80 3i1p s LEU 26 Cb -0.11 -2.29 -0.10 0.00 0.50 0.00 0.00 46.19 44.19 3i1p s LEU 26 CO 0.04 -0.59 2.44 0.52 -1.32 0.00 0.00 176.35 177.44 3i1p n VAL 27 N 3.91 -0.06 -2.87 1.68 0.31 -1.10 -3.95 118.33 116.24 3i1p n VAL 27 Ca 0.25 -0.67 -0.44 0.00 -0.01 0.00 0.00 64.34 63.47 3i1p n VAL 27 Cb 0.43 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 3i1p n VAL 27 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3i1p n VAL 28 N 8.07 4.28 -2.43 2.52 3.14 -1.21 -3.20 118.33 129.50 3i1p n VAL 28 Ca 0.42 -4.71 -0.42 0.00 -2.96 0.00 0.00 64.34 56.68 3i1p n VAL 28 Cb 0.47 -2.45 -0.02 0.00 -1.06 0.00 0.00 33.84 30.77 3i1p n VAL 28 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 3i1p s HIS 29 N 1.29 2.40 0.56 1.45 2.46 -1.22 -4.76 115.29 117.47 3i1p s HIS 29 Ca 0.42 0.53 -0.15 0.00 0.47 0.00 0.00 55.06 56.32 3i1p s HIS 29 Cb -0.01 -4.40 -0.06 0.00 -0.13 0.00 0.00 32.58 27.98 3i1p s HIS 29 CO 0.00 -1.85 1.02 0.50 -2.47 0.00 0.00 174.74 171.94 3i1p s ARG 30 N 5.21 3.66 -0.19 2.88 3.52 -1.26 -0.96 118.95 131.81 3i1p s ARG 30 Ca 0.52 1.01 -0.27 0.00 -0.13 0.00 0.00 55.73 56.86 3i1p s ARG 30 Cb -0.10 -2.09 0.08 0.00 -1.56 0.00 0.00 34.95 31.27 3i1p s ARG 30 CO 0.27 -0.52 0.75 -0.08 -0.81 0.00 0.00 175.30 174.92 3i1p s THR 31 N -2.65 0.00 0.53 4.11 -1.32 -1.01 -4.94 115.64 110.34 3i1p s THR 31 Ca 0.60 0.00 0.37 0.00 -1.21 0.00 0.00 61.69 61.45 3i1p s THR 31 Cb -0.12 -1.00 0.56 0.00 -1.51 0.00 0.00 72.50 70.43 3i1p s THR 31 CO 0.37 0.00 1.76 -0.65 -2.21 0.00 0.00 174.62 173.89 3i1p h PRO 32 N 4.12 0.04 0.00 7.08 0.11 -1.99 -2.31 132.00 139.05 3i1p h PRO 32 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3i1p h PRO 32 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3i1p h PRO 32 CO 0.18 0.03 -0.74 -2.13 -0.21 0.00 0.00 178.00 175.13 3i1p n ARG 33 N -4.21 2.81 -1.94 1.05 0.63 -1.26 -4.83 116.66 108.92 3i1p n ARG 33 Ca 0.29 -0.03 -0.01 0.00 -0.92 0.00 0.00 57.85 57.19 3i1p n ARG 33 Cb 1.33 -0.94 -0.00 0.00 0.45 0.00 0.00 32.46 33.30 3i1p n ARG 33 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3i1p n HIS 34 N -1.40 -0.15 -3.67 -0.14 8.25 -0.87 -3.76 115.22 113.47 3i1p n HIS 34 Ca 0.00 -0.08 -0.14 0.00 -0.26 0.00 0.00 57.72 57.24 3i1p n HIS 34 Cb 0.12 0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.16 3i1p n HIS 34 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3i1p s ILE 35 N -2.16 0.00 0.38 1.59 -1.09 -1.06 -2.42 121.20 116.45 3i1p s ILE 35 Ca 0.01 -0.04 0.04 0.00 -2.23 0.00 0.00 60.65 58.43 3i1p s ILE 35 Cb 0.00 -0.78 -0.04 0.00 -1.58 0.00 0.00 42.46 40.06 3i1p s ILE 35 CO 0.01 -0.02 0.09 -0.31 -1.23 0.00 0.00 174.94 173.48 3i1p s TYR 36 N 0.01 1.86 -0.29 3.97 2.02 -0.13 -3.47 117.35 121.31 3i1p s TYR 36 Ca -0.02 -1.13 -0.21 0.00 -0.37 0.00 0.00 57.07 55.34 3i1p s TYR 36 Cb -0.04 -1.24 0.18 0.00 -0.40 0.00 0.00 41.96 40.46 3i1p s TYR 36 CO 0.02 -0.14 1.25 0.00 -1.57 0.00 0.00 175.55 175.11 3i1p s ALA 37 N -3.23 -2.32 0.08 3.71 0.00 -1.15 -3.39 121.76 115.46 3i1p s ALA 37 Ca 0.27 1.88 -0.18 0.00 0.00 0.00 0.00 51.96 53.93 3i1p s ALA 37 Cb 0.05 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 21.43 3i1p s ALA 37 CO 0.14 -0.22 0.44 1.14 0.00 0.00 0.00 175.76 177.26 3i1p s GLN 38 N 0.56 1.02 -0.21 0.00 -2.07 -1.19 -1.81 119.66 115.95 3i1p s GLN 38 Ca -0.00 -0.48 -0.07 0.00 -1.82 0.00 0.00 55.36 52.99 3i1p s GLN 38 Cb -0.04 0.46 -0.03 0.00 -1.09 0.00 0.00 33.01 32.30 3i1p s GLN 38 CO -0.12 -0.38 0.05 0.08 -1.32 0.00 0.00 175.29 173.59 3i1p s VAL 39 N -3.07 4.40 -0.32 3.63 1.01 0.29 -2.71 120.40 123.64 3i1p s VAL 39 Ca -0.02 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3i1p s VAL 39 Cb 0.00 -3.01 0.10 0.00 0.00 0.00 0.00 36.38 33.47 3i1p s VAL 39 CO -0.07 0.41 0.07 -0.63 0.00 0.00 0.00 175.10 174.89 3i1p s ILE 40 N 0.94 1.41 0.59 2.22 1.01 -1.22 -2.45 121.20 123.69 3i1p s ILE 40 Ca 0.03 -1.73 -0.18 0.00 0.00 0.00 0.00 60.65 58.77 3i1p s ILE 40 Cb -0.14 -2.04 -0.08 0.00 0.01 0.00 0.00 42.46 40.21 3i1p s ILE 40 CO 0.03 -0.62 0.53 0.00 0.00 0.00 0.00 174.94 174.88 3i1p n ALA 41 N 4.63 -1.16 -0.36 9.38 0.00 -1.23 -3.76 120.51 128.01 3i1p n ALA 41 Ca -0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.23 3i1p n ALA 41 Cb 0.42 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 3i1p n ALA 41 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i1p n PRO 42 N -0.14 0.00 0.00 0.00 -0.02 -1.20 -2.76 135.00 130.88 3i1p n PRO 42 Ca 0.11 -0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 3i1p n PRO 42 Cb 0.48 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3i1p n PRO 42 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3i1p n ASN 43 N 5.90 0.00 0.00 2.55 6.94 -1.26 -5.03 115.26 124.35 3i1p n ASN 43 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 3i1p n ASN 43 Cb 0.18 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 3i1p n ASN 43 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i1p n GLY 44 N -0.09 2.70 0.00 4.83 0.00 -1.11 -4.87 105.19 106.64 3i1p n GLY 44 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3i1p n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i1p n SER 45 N 0.58 0.00 -4.67 1.61 2.88 -1.26 -4.83 113.62 107.92 3i1p n SER 45 Ca 0.00 0.08 -0.46 0.00 -1.33 0.00 0.00 58.87 57.15 3i1p n SER 45 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3i1p n SER 45 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i1p n GLU 46 N -0.46 2.22 -3.42 -1.46 2.13 -1.26 -4.93 120.64 113.45 3i1p n GLU 46 Ca 0.00 0.81 -0.44 0.00 0.66 0.00 0.00 57.16 58.18 3i1p n GLU 46 Cb 0.00 -2.61 -0.04 0.00 0.27 0.00 0.00 31.44 29.06 3i1p n GLU 46 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i1p s VAL 47 N 2.11 5.23 0.01 6.31 1.01 -1.26 -3.51 120.40 130.30 3i1p s VAL 47 Ca 0.84 -2.73 -0.03 0.00 0.00 0.00 0.00 61.98 60.06 3i1p s VAL 47 Cb -0.67 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.46 3i1p s VAL 47 CO 0.42 -1.02 1.05 -0.07 0.00 0.00 0.00 175.10 175.49 3i1p h LEU 48 N 7.44 -0.18 -9.06 3.92 3.38 -1.84 -3.44 115.31 115.53 3i1p h LEU 48 Ca 0.09 0.02 -0.47 0.00 0.09 0.00 0.00 57.88 57.62 3i1p h LEU 48 Cb 1.00 0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.68 3i1p h LEU 48 CO 0.77 -0.04 -0.68 -0.69 0.09 0.00 0.00 178.44 177.89 3i1p s VAL 49 N -3.25 1.57 -0.30 1.22 1.01 -1.24 -5.01 120.40 114.40 3i1p s VAL 49 Ca -0.01 -2.13 -0.16 0.00 0.00 0.00 0.00 61.98 59.68 3i1p s VAL 49 Cb 0.01 -2.37 0.17 0.00 0.00 0.00 0.00 36.38 34.19 3i1p s VAL 49 CO 0.06 -0.35 1.09 0.00 0.00 0.00 0.00 175.10 175.89 3i1p s ALA 50 N -3.06 -2.74 -0.03 5.51 0.00 -1.26 0.11 121.76 120.28 3i1p s ALA 50 Ca 0.28 2.02 0.04 0.00 0.00 0.00 0.00 51.96 54.29 3i1p s ALA 50 Cb 0.03 -2.03 -0.00 0.00 0.00 0.00 0.00 23.12 21.12 3i1p s ALA 50 CO 0.11 -0.74 -0.14 0.00 0.00 0.00 0.00 175.76 174.99 3i1p s ALA 51 N 1.93 1.22 0.00 0.00 0.00 -0.75 -4.99 121.76 119.17 3i1p s ALA 51 Ca -0.04 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3i1p s ALA 51 Cb -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3i1p s ALA 51 CO -0.16 0.23 0.00 0.43 0.00 0.00 0.00 175.76 176.27 3i1p n SER 52 N 3.10 0.00 -0.03 0.00 7.64 -1.26 -2.92 113.62 120.16 3i1p n SER 52 Ca -0.17 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.67 3i1p n SER 52 Cb 0.54 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 3i1p n SER 52 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3i1p n THR 53 N 0.00 0.29 0.29 0.44 -2.24 -1.23 -4.58 114.28 107.25 3i1p n THR 53 Ca 0.00 -0.10 0.18 0.00 -2.27 0.00 0.00 64.05 61.86 3i1p n THR 53 Cb 0.00 -0.91 0.92 0.00 -2.10 0.00 0.00 70.33 68.25 3i1p n THR 53 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3i1p h VAL 54 N -0.05 0.15 -3.84 2.28 3.04 -1.96 -3.38 116.25 112.49 3i1p h VAL 54 Ca -0.12 0.00 -0.55 0.00 -1.01 0.00 0.00 66.70 65.02 3i1p h VAL 54 Cb 1.16 0.80 0.18 0.00 -2.01 0.00 0.00 31.29 31.41 3i1p h VAL 54 CO -0.03 0.00 0.16 -0.62 -1.01 0.00 0.00 177.57 176.07 3i1p n GLU 55 N -3.23 0.53 0.16 4.17 1.02 -1.26 -4.92 120.64 117.12 3i1p n GLU 55 Ca -0.01 0.24 0.03 0.00 -0.02 0.00 0.00 57.16 57.40 3i1p n GLU 55 Cb 0.30 -2.27 0.23 0.00 -0.02 0.00 0.00 31.44 29.68 3i1p n GLU 55 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3i1p h LYS 56 N -0.24 0.00 -1.01 3.49 3.11 -1.96 -3.21 116.57 116.74 3i1p h LYS 56 Ca -0.48 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 3i1p h LYS 56 Cb 1.33 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.56 3i1p h LYS 56 CO 0.47 0.49 0.00 0.00 -2.81 0.00 0.00 179.45 177.61 3i1p n ALA 57 N -2.33 2.45 0.00 5.00 0.00 -1.26 -3.22 120.51 121.16 3i1p n ALA 57 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1p n ALA 57 Cb 0.59 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3i1p n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1p n ILE 58 N 0.33 0.00 0.19 0.00 -0.00 -1.21 -4.88 119.36 113.79 3i1p n ILE 58 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 62.75 62.93 3i1p n ILE 58 Cb 0.39 0.00 0.82 0.00 -0.00 0.00 0.00 39.64 40.85 3i1p n ILE 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i1p h ALA 59 N 0.00 1.84 0.66 -1.39 0.00 -1.61 -2.48 119.26 116.28 3i1p h ALA 59 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3i1p h ALA 59 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3i1p h ALA 59 CO 0.00 -0.38 -0.50 0.93 0.00 0.00 0.00 179.25 179.31 3i1p h GLU 60 N 0.00 -1.07 -1.02 0.00 4.39 -1.90 -3.03 114.58 111.96 3i1p h GLU 60 Ca 0.11 0.07 -0.66 0.00 0.34 0.00 0.00 59.36 59.22 3i1p h GLU 60 Cb 0.63 0.24 -0.31 0.00 -0.10 0.00 0.00 28.75 29.21 3i1p h GLU 60 CO -0.00 -0.71 0.61 0.94 -1.16 0.00 0.00 179.01 178.69 3i1p n GLN 61 N -5.53 2.84 -4.03 2.33 7.27 -1.03 -4.91 117.38 114.33 3i1p n GLN 61 Ca -0.13 -3.45 -0.33 0.00 0.07 0.00 0.00 57.00 53.15 3i1p n GLN 61 Cb 0.48 -2.29 -0.15 0.00 2.41 0.00 0.00 30.24 30.69 3i1p n GLN 61 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3i1p s LEU 62 N -3.80 3.08 -0.15 1.69 1.98 -0.96 -5.00 118.68 115.51 3i1p s LEU 62 Ca 0.62 -1.01 -0.28 0.00 -2.89 0.00 0.00 54.13 50.57 3i1p s LEU 62 Cb 0.49 -1.59 -0.25 0.00 0.66 0.00 0.00 46.19 45.50 3i1p s LEU 62 CO -0.03 -0.13 0.68 0.50 -1.89 0.00 0.00 176.35 175.49 3i1p h LYS 63 N 7.92 0.00 -2.87 1.98 3.11 -1.90 -3.46 116.57 121.34 3i1p h LYS 63 Ca -0.31 -0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.28 3i1p h LYS 63 Cb 1.09 0.00 -0.34 0.00 -1.00 0.00 0.00 32.23 31.98 3i1p h LYS 63 CO 0.55 1.00 -0.57 -0.47 -2.81 0.00 0.00 179.45 177.15 3i1p s TYR 64 N -2.24 -0.34 -2.00 1.91 5.04 -1.26 -5.03 117.35 113.42 3i1p s TYR 64 Ca -0.21 0.78 0.01 0.00 -2.44 0.00 0.00 57.07 55.22 3i1p s TYR 64 Cb -0.02 -0.14 0.09 0.00 0.35 0.00 0.00 41.96 42.24 3i1p s TYR 64 CO 0.67 -0.37 0.40 0.25 -1.34 0.00 0.00 175.55 175.17 3i1p n THR 65 N 5.34 0.00 -3.51 4.34 -2.24 -1.25 -3.89 114.28 113.07 3i1p n THR 65 Ca -0.06 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 3i1p n THR 65 Cb 0.50 -0.74 -0.12 0.00 -2.10 0.00 0.00 70.33 67.87 3i1p n THR 65 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i1p s GLY 66 N -1.96 1.09 0.21 3.38 0.00 -1.25 -2.56 107.32 106.23 3i1p s GLY 66 Ca 0.02 -2.12 -0.23 0.00 0.00 0.00 0.00 44.72 42.39 3i1p s GLY 66 CO 0.02 1.98 0.86 0.21 0.00 0.00 0.00 173.10 176.17 3i1p s ASN 67 N 0.75 -0.21 0.24 1.64 2.47 -1.25 -4.98 114.94 113.61 3i1p s ASN 67 Ca 0.20 -0.49 -0.09 0.00 0.42 0.00 0.00 52.86 52.90 3i1p s ASN 67 Cb -0.19 0.59 0.38 0.00 -1.45 0.00 0.00 41.25 40.58 3i1p s ASN 67 CO -0.02 -1.09 1.40 1.17 -3.72 0.00 0.00 177.10 174.84 3i1p n LYS 68 N -0.47 -0.10 0.15 0.43 3.00 -1.26 -1.10 118.16 118.81 3i1p n LYS 68 Ca -0.05 1.40 -0.06 0.00 -0.00 0.00 0.00 58.31 59.60 3i1p n LYS 68 Cb 0.60 -2.09 -0.03 0.00 0.00 0.00 0.00 35.03 33.51 3i1p n LYS 68 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3i1p h ASP 69 N 0.00 -0.33 -0.80 3.14 5.19 -1.96 -3.28 116.42 118.39 3i1p h ASP 69 Ca 0.41 0.01 0.09 0.00 -0.62 0.00 0.00 57.03 56.92 3i1p h ASP 69 Cb 0.64 0.08 -0.11 0.00 0.18 0.00 0.00 39.33 40.13 3i1p h ASP 69 CO -0.92 -0.20 -0.42 0.00 -3.12 0.00 0.00 179.24 174.57 3i1p n ALA 70 N -2.24 -0.38 -1.02 3.45 0.00 -0.77 0.27 120.51 119.82 3i1p n ALA 70 Ca -0.05 0.72 -0.19 0.00 0.00 0.00 0.00 53.44 53.91 3i1p n ALA 70 Cb 0.15 -0.19 -0.11 0.00 0.00 0.00 0.00 19.45 19.30 3i1p n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 71 N -3.46 6.35 0.00 0.00 0.00 -0.26 -1.47 120.51 121.67 3i1p n ALA 71 Ca 0.04 -2.21 0.00 0.00 0.00 0.00 0.00 53.44 51.26 3i1p n ALA 71 Cb 0.24 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.05 3i1p n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 72 N 2.92 0.00 -0.08 0.00 0.00 0.16 -0.98 120.51 122.53 3i1p n ALA 72 Ca 0.51 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.83 3i1p n ALA 72 Cb 0.64 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.04 3i1p n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h ALA 73 N 0.00 0.33 -0.06 0.00 0.00 0.42 -1.29 119.26 118.66 3i1p h ALA 73 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3i1p h ALA 73 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3i1p h ALA 73 CO 0.00 0.13 0.14 0.28 0.00 0.00 0.00 179.25 179.80 3i1p h VAL 74 N 0.20 0.19 -0.18 0.00 2.07 -1.45 0.44 116.25 117.52 3i1p h VAL 74 Ca 0.06 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.39 3i1p h VAL 74 Cb 0.54 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3i1p h VAL 74 CO 0.03 0.00 -0.64 1.23 0.02 0.00 0.00 177.57 178.20 3i1p h GLY 75 N 0.00 0.72 1.77 2.17 0.00 -1.41 0.27 103.07 106.59 3i1p h GLY 75 Ca 0.03 -0.91 -0.06 0.00 0.00 0.00 0.00 47.33 46.38 3i1p h GLY 75 CO -0.00 0.82 -0.15 1.70 0.00 0.00 0.00 176.54 178.91 3i1p h LYS 76 N 0.48 0.29 0.15 4.80 1.63 -0.45 -1.95 116.57 121.52 3i1p h LYS 76 Ca -0.01 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 3i1p h LYS 76 Cb 1.23 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3i1p h LYS 76 CO 0.13 0.44 -0.07 0.00 -3.45 0.00 0.00 179.45 176.49 3i1p h ALA 77 N 1.58 -0.23 -0.90 5.00 0.00 -1.17 -2.91 119.26 120.63 3i1p h ALA 77 Ca 0.05 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.05 3i1p h ALA 77 Cb 0.43 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3i1p h ALA 77 CO 0.03 -0.22 0.58 0.28 0.00 0.00 0.00 179.25 179.92 3i1p h VAL 78 N -0.91 0.87 0.21 0.00 2.07 -1.04 0.54 116.25 118.00 3i1p h VAL 78 Ca -0.02 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3i1p h VAL 78 Cb 0.16 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3i1p h VAL 78 CO 0.03 0.14 -0.16 0.00 0.02 0.00 0.00 177.57 177.60 3i1p h ALA 79 N 1.59 -0.36 -0.28 1.67 0.00 -1.47 0.11 119.26 120.52 3i1p h ALA 79 Ca 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3i1p h ALA 79 Cb 0.64 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3i1p h ALA 79 CO -0.21 -0.72 0.10 0.93 0.00 0.00 0.00 179.25 179.35 3i1p h GLU 80 N -0.38 0.42 -0.60 0.00 4.39 -1.12 -1.33 114.58 115.97 3i1p h GLU 80 Ca -0.01 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 3i1p h GLU 80 Cb 0.34 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3i1p h GLU 80 CO -0.01 0.47 0.16 0.00 -1.16 0.00 0.00 179.01 178.47 3i1p h ARG 81 N 0.29 0.94 0.00 2.33 3.08 -0.85 0.59 114.38 120.76 3i1p h ARG 81 Ca 0.09 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3i1p h ARG 81 Cb 0.21 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3i1p h ARG 81 CO -0.01 0.86 0.00 0.00 -1.07 0.00 0.00 179.97 179.75 3i1p h ALA 82 N 1.04 1.00 0.00 0.04 0.00 -0.72 -1.12 119.26 119.50 3i1p h ALA 82 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i1p h ALA 82 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i1p h ALA 82 CO -0.00 0.00 -1.21 -0.11 0.00 0.00 0.00 179.25 177.93 3i1p n LEU 83 N -2.39 0.67 0.26 0.00 7.94 -0.21 -2.06 117.00 121.21 3i1p n LEU 83 Ca 0.02 0.26 -0.11 0.00 -1.11 0.00 0.00 56.01 55.07 3i1p n LEU 83 Cb 0.25 -0.05 -0.05 0.00 0.53 0.00 0.00 43.42 44.10 3i1p n LEU 83 CO 0.22 -0.15 0.42 -0.08 -1.11 0.00 0.00 177.39 176.69 3i1p h GLU 84 N 0.00 -0.66 0.00 1.96 4.22 0.14 -3.16 114.58 117.08 3i1p h GLU 84 Ca 0.00 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.49 3i1p h GLU 84 Cb 1.00 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3i1p h GLU 84 CO 0.00 -0.44 0.00 1.63 -2.18 0.00 0.00 179.01 178.02 3i1p n LYS 85 N -4.19 0.22 -0.11 1.92 4.76 -1.21 -4.90 118.16 114.65 3i1p n LYS 85 Ca -0.09 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 3i1p n LYS 85 Cb 0.27 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 3i1p n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1p n GLY 86 N 0.93 0.84 2.90 0.72 0.00 -1.19 -4.98 105.19 104.41 3i1p n GLY 86 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3i1p n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1p n ILE 87 N -2.08 2.20 -3.90 -0.61 2.08 -0.87 -4.90 119.36 111.28 3i1p n ILE 87 Ca 0.00 -1.70 -0.33 0.00 0.56 0.00 0.00 62.75 61.28 3i1p n ILE 87 Cb 0.00 -2.30 -0.05 0.00 -0.75 0.00 0.00 39.64 36.55 3i1p n ILE 87 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3i1p s LYS 88 N 4.30 3.45 0.01 0.38 -2.85 -1.24 -4.73 119.74 119.07 3i1p s LYS 88 Ca 0.51 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.16 3i1p s LYS 88 Cb 0.13 -3.09 0.00 0.00 -2.06 0.00 0.00 37.83 32.81 3i1p s LYS 88 CO 0.05 0.66 0.00 -3.47 0.10 0.00 0.00 175.35 172.69 3i1p n ASP 89 N 0.86 -3.08 0.00 0.03 -0.08 -1.25 -4.98 116.55 108.05 3i1p n ASP 89 Ca -0.10 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 3i1p n ASP 89 Cb 0.52 -1.61 0.00 0.00 2.34 0.00 0.00 41.12 42.37 3i1p n ASP 89 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3i1p n VAL 90 N 0.27 0.00 -4.14 5.18 0.24 -1.26 -4.89 118.33 113.73 3i1p n VAL 90 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 3i1p n VAL 90 Cb 0.00 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.24 3i1p n VAL 90 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3i1p s SER 91 N 2.00 0.87 -0.36 -1.34 0.01 -0.98 -4.90 113.70 109.00 3i1p s SER 91 Ca 0.00 -0.35 -0.12 0.00 1.31 0.00 0.00 55.95 56.79 3i1p s SER 91 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.21 3i1p s SER 91 CO 0.00 -0.06 0.22 0.12 0.41 0.00 0.00 173.24 173.93 3i1p s PHE 92 N -0.80 3.22 -0.59 2.43 5.36 -1.26 -3.13 117.98 123.21 3i1p s PHE 92 Ca -0.04 -0.57 -0.20 0.00 -0.96 0.00 0.00 56.93 55.17 3i1p s PHE 92 Cb -0.07 -2.46 0.09 0.00 -0.34 0.00 0.00 43.02 40.24 3i1p s PHE 92 CO 0.00 -0.50 0.76 0.34 -1.46 0.00 0.00 175.22 174.36 3i1p s ASP 93 N 1.64 6.19 0.39 6.13 2.15 -1.25 -4.88 116.67 127.04 3i1p s ASP 93 Ca 0.04 -1.20 0.28 0.00 0.43 0.00 0.00 52.55 52.10 3i1p s ASP 93 Cb -0.18 -2.33 1.34 0.00 -0.30 0.00 0.00 42.92 41.45 3i1p s ASP 93 CO 0.08 -1.16 1.84 0.08 -0.17 0.00 0.00 175.17 175.85 3i1p h ARG 94 N 9.25 0.00 -2.66 4.34 0.11 -1.86 -3.21 114.38 120.35 3i1p h ARG 94 Ca -0.29 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.66 3i1p h ARG 94 Cb 1.08 0.00 0.05 0.00 1.11 0.00 0.00 29.97 32.21 3i1p h ARG 94 CO 1.10 0.00 -0.23 0.43 0.10 0.00 0.00 179.97 181.37 3i1p n SER 95 N -2.51 -3.40 0.00 0.08 7.64 -1.26 -3.21 113.62 110.97 3i1p n SER 95 Ca -0.00 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.70 3i1p n SER 95 Cb 0.15 -2.02 0.00 0.00 -1.01 0.00 0.00 64.21 61.32 3i1p n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1p n GLY 96 N -1.01 2.07 3.75 0.23 0.00 -1.26 -4.75 105.19 104.22 3i1p n GLY 96 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3i1p n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1p s PHE 97 N 0.00 2.85 0.47 1.61 0.08 -1.20 -4.82 117.98 116.98 3i1p s PHE 97 Ca 0.00 0.91 -0.23 0.00 0.12 0.00 0.00 56.93 57.73 3i1p s PHE 97 Cb 0.00 -3.96 -0.09 0.00 -0.57 0.00 0.00 43.02 38.39 3i1p s PHE 97 CO 0.00 -3.17 0.95 0.94 -0.10 0.00 0.00 175.22 173.84 3i1p n GLN 98 N 2.12 1.18 -1.61 0.44 -0.06 -1.26 -4.79 117.38 113.41 3i1p n GLN 98 Ca 0.07 0.43 -0.33 0.00 -2.00 0.00 0.00 57.00 55.17 3i1p n GLN 98 Cb 0.39 -2.03 -0.04 0.00 -4.06 0.00 0.00 30.24 24.49 3i1p n GLN 98 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 3i1p n TYR 99 N -0.84 1.96 0.00 3.69 4.19 -1.26 -4.40 117.16 120.50 3i1p n TYR 99 Ca 0.10 -2.46 0.00 0.00 3.31 0.00 0.00 57.90 58.85 3i1p n TYR 99 Cb 0.41 -1.80 0.00 0.00 0.49 0.00 0.00 39.34 38.45 3i1p n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 3i1p n HIS 100 N 1.92 0.00 0.00 2.98 -0.00 -1.26 -4.46 115.22 114.39 3i1p n HIS 100 Ca 0.59 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.77 3i1p n HIS 100 Cb 0.41 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.28 3i1p n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i1p n GLY 101 N 2.04 2.80 0.49 1.57 0.00 -1.26 -4.72 105.19 106.11 3i1p n GLY 101 Ca 0.00 -0.25 0.33 0.00 0.00 0.00 0.00 46.02 46.10 3i1p n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i1p h ARG 102 N 0.00 0.14 0.01 1.61 3.08 -1.92 0.31 114.38 117.61 3i1p h ARG 102 Ca 0.00 -0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.79 3i1p h ARG 102 Cb 0.00 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.04 3i1p h ARG 102 CO 0.00 0.09 -0.99 0.28 -1.07 0.00 0.00 179.97 178.29 3i1p h VAL 103 N 0.15 1.30 0.00 2.04 2.07 -1.84 -0.69 116.25 119.27 3i1p h VAL 103 Ca 0.65 -2.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 3i1p h VAL 103 Cb 2.20 2.43 -0.00 0.00 -1.52 0.00 0.00 31.29 34.40 3i1p h VAL 103 CO -0.18 0.68 -0.02 -0.61 0.02 0.00 0.00 177.57 177.47 3i1p h GLN 104 N 0.31 0.00 0.00 1.57 4.15 -0.63 -1.03 115.11 119.47 3i1p h GLN 104 Ca -0.13 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.09 3i1p h GLN 104 Cb 1.65 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.31 3i1p h GLN 104 CO 0.19 0.02 -1.32 0.00 -1.93 0.00 0.00 178.83 175.79 3i1p n ALA 105 N -2.18 0.79 -0.30 3.38 0.00 -0.79 -4.03 120.51 117.38 3i1p n ALA 105 Ca -0.03 -0.62 0.21 0.00 0.00 0.00 0.00 53.44 53.00 3i1p n ALA 105 Cb 0.11 -0.24 0.49 0.00 0.00 0.00 0.00 19.45 19.81 3i1p n ALA 105 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i1p h LEU 106 N -1.00 0.46 0.00 0.00 5.85 0.54 0.24 115.31 121.41 3i1p h LEU 106 Ca -0.31 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3i1p h LEU 106 Cb 1.16 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3i1p h LEU 106 CO -0.19 0.13 0.00 0.00 -0.34 0.00 0.00 178.44 178.04 3i1p n ALA 107 N -2.48 -0.15 0.31 1.25 0.00 -0.41 -2.97 120.51 116.06 3i1p n ALA 107 Ca 0.23 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.82 3i1p n ALA 107 Cb 0.80 0.00 0.77 0.00 0.00 0.00 0.00 19.45 21.02 3i1p n ALA 107 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3i1p h ASP 108 N 0.00 0.00 0.00 0.00 -0.00 -1.66 0.25 116.42 115.01 3i1p h ASP 108 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3i1p h ASP 108 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3i1p h ASP 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 3i1p n ALA 109 N -1.85 2.98 -1.91 4.15 0.00 0.84 -2.16 120.51 122.56 3i1p n ALA 109 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i1p n ALA 109 Cb 0.35 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3i1p n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 110 N 1.44 1.13 0.00 0.00 0.00 0.87 -3.47 120.51 120.48 3i1p n ALA 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1p n ALA 110 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 3i1p n ALA 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1p n ARG 111 N 0.00 3.59 0.21 0.00 0.63 -0.92 -2.66 116.66 117.51 3i1p n ARG 111 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 3i1p n ARG 111 Cb 0.47 -0.98 -0.05 0.00 0.45 0.00 0.00 32.46 32.35 3i1p n ARG 111 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3i1p h GLU 112 N 0.00 -0.57 -0.47 -0.14 4.11 -1.83 -3.32 114.58 112.36 3i1p h GLU 112 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.47 3i1p h GLU 112 Cb 0.97 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3i1p h GLU 112 CO 0.00 -0.36 0.00 0.00 0.07 0.00 0.00 179.01 178.72 3i1p n ALA 113 N -2.72 3.37 -3.25 1.06 0.00 -1.26 -4.98 120.51 112.72 3i1p n ALA 113 Ca -0.08 -1.97 0.00 0.00 0.00 0.00 0.00 53.44 51.39 3i1p n ALA 113 Cb 0.24 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3i1p n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 114 N 0.30 4.28 2.89 0.00 0.00 -1.25 -4.72 105.19 106.70 3i1p n GLY 114 Ca 0.24 -1.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 3i1p n GLY 114 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i1p n LEU 115 N 0.00 0.00 -4.36 0.99 -0.00 -1.09 -4.44 117.00 108.10 3i1p n LEU 115 Ca 0.00 -0.88 -0.45 0.00 -0.00 0.00 0.00 56.01 54.68 3i1p n LEU 115 Cb 0.00 -0.87 -0.05 0.00 -0.00 0.00 0.00 43.42 42.50 3i1p n LEU 115 CO 0.00 -2.36 0.35 -1.10 -0.00 0.00 0.00 177.39 174.28 3i1p s GLN 116 N -4.97 3.03 0.00 1.47 1.11 -1.26 -3.83 119.66 115.21 3i1p s GLN 116 Ca 0.60 -1.38 0.16 0.00 0.01 0.00 0.00 55.36 54.75 3i1p s GLN 116 Cb -0.08 -4.27 0.13 0.00 -1.01 0.00 0.00 33.01 27.78 3i1p s GLN 116 CO 0.48 -1.49 1.01 1.97 0.01 0.00 0.00 175.29 177.28