#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n GLU 2 N 0.00 0.36 -3.83 2.12 1.02 -1.26 -3.23 120.64 115.82 3i1p n GLU 2 Ca 0.00 -2.43 -0.30 0.00 -0.02 0.00 0.00 57.16 54.41 3i1p n GLU 2 Cb 0.00 1.88 -0.13 0.00 -0.02 0.00 0.00 31.44 33.17 3i1p n GLU 2 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3i1p s LEU 3 N 0.00 3.61 0.25 -4.62 2.96 -1.26 -4.75 118.68 114.86 3i1p s LEU 3 Ca 0.27 -2.94 -0.31 0.00 -0.22 0.00 0.00 54.13 50.93 3i1p s LEU 3 Cb 0.01 -1.35 -0.12 0.00 0.50 0.00 0.00 46.19 45.23 3i1p s LEU 3 CO 0.19 -0.23 1.61 0.52 -1.32 0.00 0.00 176.35 177.12 3i1p n VAL 4 N 3.17 0.61 -0.64 1.68 0.31 -1.26 -2.58 118.33 119.63 3i1p n VAL 4 Ca 0.09 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3i1p n VAL 4 Cb 0.34 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 3i1p n VAL 4 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i1p n LEU 5 N 2.81 0.00 0.00 7.52 4.77 -1.26 -4.47 117.00 126.38 3i1p n LEU 5 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3i1p n LEU 5 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3i1p n LEU 5 CO 0.64 -0.42 0.48 1.17 -1.33 0.00 0.00 177.39 177.93 3i1p n LYS 6 N -0.75 0.00 0.00 3.23 4.81 -0.56 -4.63 118.16 120.25 3i1p n LYS 6 Ca 0.00 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 3i1p n LYS 6 Cb 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.59 3i1p n LYS 6 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3i1p n ASP 7 N -2.60 0.00 0.23 3.14 5.68 -1.26 -4.87 116.55 116.87 3i1p n ASP 7 Ca 0.00 -1.00 0.14 0.00 -0.50 0.00 0.00 54.79 53.43 3i1p n ASP 7 Cb 0.00 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.35 3i1p n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i1p h ALA 8 N 0.00 1.00 0.00 2.12 0.00 -1.98 -3.46 119.26 116.93 3i1p h ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1p h ALA 8 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3i1p h ALA 8 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 179.25 180.19 3i1p n GLN 9 N -3.04 -0.46 0.22 0.00 -0.06 -1.26 -4.78 117.38 107.99 3i1p n GLN 9 Ca 0.03 0.12 0.15 0.00 -2.00 0.00 0.00 57.00 55.29 3i1p n GLN 9 Cb 0.44 -4.36 0.80 0.00 -4.06 0.00 0.00 30.24 23.05 3i1p n GLN 9 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 3i1p h SER 10 N 0.00 0.00 -0.90 1.69 0.02 -1.94 -3.45 113.55 108.97 3i1p h SER 10 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3i1p h SER 10 Cb 0.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 3i1p h SER 10 CO 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 176.83 175.67 3i1p n ALA 11 N -1.88 -0.17 -0.27 3.77 0.00 -1.26 -4.90 120.51 115.80 3i1p n ALA 11 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1p n ALA 11 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3i1p n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1p n LEU 12 N 0.00 0.00 -1.86 0.00 7.94 -1.07 -4.76 117.00 117.26 3i1p n LEU 12 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i1p n LEU 12 Cb 0.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.98 3i1p n LEU 12 CO 0.00 0.00 -0.44 0.41 -1.11 0.00 0.00 177.39 176.25 3i1p n THR 13 N 0.00-10.30 -4.59 1.96 -1.04 -1.26 -4.83 114.28 94.22 3i1p n THR 13 Ca 0.00 2.93 -0.23 0.00 -2.04 0.00 0.00 64.05 64.71 3i1p n THR 13 Cb 0.00 -4.61 -0.16 0.00 -1.82 0.00 0.00 70.33 63.74 3i1p n THR 13 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i1p s VAL 14 N -0.95 1.07 0.27 12.58 -7.23 -1.20 -4.80 120.40 120.14 3i1p s VAL 14 Ca 0.00 -0.52 -0.31 0.00 -1.81 0.00 0.00 61.98 59.35 3i1p s VAL 14 Cb 0.00 -0.93 -0.13 0.00 0.56 0.00 0.00 36.38 35.88 3i1p s VAL 14 CO 0.00 0.32 1.50 -1.54 -0.31 0.00 0.00 175.10 175.07 3i1p n SER 15 N 3.23 3.29 0.01 4.85 3.41 -1.26 -4.61 113.62 122.54 3i1p n SER 15 Ca -0.18 1.14 0.01 0.00 -0.26 0.00 0.00 58.87 59.58 3i1p n SER 15 Cb 0.54 -1.51 0.06 0.00 -0.26 0.00 0.00 64.21 63.04 3i1p n SER 15 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i1p n GLU 16 N 2.08 0.01 0.01 4.33 4.07 -1.26 -1.85 120.64 128.03 3i1p n GLU 16 Ca 0.10 0.50 -0.01 0.00 -0.06 0.00 0.00 57.16 57.70 3i1p n GLU 16 Cb 0.34 -1.54 -0.00 0.00 -0.06 0.00 0.00 31.44 30.18 3i1p n GLU 16 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 3i1p h THR 17 N 0.00 0.00 -0.14 6.31 1.35 -1.88 -3.36 112.91 115.19 3i1p h THR 17 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3i1p h THR 17 Cb 0.01 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.43 3i1p h THR 17 CO 0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 3i1p n THR 18 N -2.79 0.33 -3.29 6.82 -2.24 -1.17 -4.51 114.28 107.42 3i1p n THR 18 Ca -0.01 -0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 3i1p n THR 18 Cb 0.02 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.10 3i1p n THR 18 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3i1p s PHE 19 N -1.65 -1.07 0.00 4.78 0.08 -0.77 -4.79 117.98 114.56 3i1p s PHE 19 Ca 0.10 0.60 0.00 0.00 0.12 0.00 0.00 56.93 57.75 3i1p s PHE 19 Cb 0.06 -0.03 0.00 0.00 -0.57 0.00 0.00 43.02 42.48 3i1p s PHE 19 CO 0.06 -0.92 0.00 0.41 -0.10 0.00 0.00 175.22 174.66 3i1p n GLY 20 N 5.37 0.61 3.49 4.36 0.00 -1.26 -4.06 105.19 113.69 3i1p n GLY 20 Ca -0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 3i1p n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1p s ARG 21 N -0.21 1.55 0.76 1.61 1.70 -1.26 -4.84 118.95 118.26 3i1p s ARG 21 Ca 0.00 -1.43 -0.13 0.00 -0.47 0.00 0.00 55.73 53.70 3i1p s ARG 21 Cb 0.00 0.42 0.19 0.00 -0.57 0.00 0.00 34.95 35.00 3i1p s ARG 21 CO 0.00 -0.62 0.58 -0.25 -1.08 0.00 0.00 175.30 173.93 3i1p n ASP 22 N -0.56 -2.22 -3.94 -2.89 8.00 -1.26 -4.77 116.55 108.92 3i1p n ASP 22 Ca -0.00 -0.75 -0.30 0.00 0.71 0.00 0.00 54.79 54.45 3i1p n ASP 22 Cb 0.63 -0.58 -0.13 0.00 -0.02 0.00 0.00 41.12 41.02 3i1p n ASP 22 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3i1p s PHE 23 N -1.96 3.42 -1.01 1.24 5.36 -1.26 -4.78 117.98 118.98 3i1p s PHE 23 Ca 0.40 -3.24 -0.25 0.00 -0.96 0.00 0.00 56.93 52.89 3i1p s PHE 23 Cb -0.05 -2.80 -0.11 0.00 -0.34 0.00 0.00 43.02 39.72 3i1p s PHE 23 CO 0.32 -0.65 2.05 -0.80 -1.46 0.00 0.00 175.22 174.68 3i1p s ASN 24 N -0.82 4.58 0.25 6.13 0.01 -1.26 -4.79 114.94 119.03 3i1p s ASN 24 Ca 0.21 -0.92 -0.02 0.00 -0.71 0.00 0.00 52.86 51.42 3i1p s ASN 24 Cb -0.14 -2.57 0.48 0.00 0.41 0.00 0.00 41.25 39.42 3i1p s ASN 24 CO -0.09 -3.42 1.77 -0.08 -1.51 0.00 0.00 177.10 173.77 3i1p h GLU 25 N 11.09 0.61 -0.36 -0.60 4.81 -1.98 0.50 114.58 128.65 3i1p h GLU 25 Ca 0.10 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 3i1p h GLU 25 Cb 0.98 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 3i1p h GLU 25 CO 1.14 0.41 -0.43 0.00 -0.73 0.00 0.00 179.01 179.40 3i1p h ALA 26 N 1.53 0.55 -0.42 2.92 0.00 -1.98 -0.37 119.26 121.49 3i1p h ALA 26 Ca 0.43 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3i1p h ALA 26 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3i1p h ALA 26 CO -0.34 0.68 -0.30 1.25 0.00 0.00 0.00 179.25 180.54 3i1p h LEU 27 N 0.74 1.00 -0.49 0.00 5.85 -1.75 -0.35 115.31 120.31 3i1p h LEU 27 Ca 0.05 -0.44 -0.16 0.00 0.84 0.00 0.00 57.88 58.17 3i1p h LEU 27 Cb 1.03 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3i1p h LEU 27 CO 0.10 1.22 -0.75 -0.37 -0.34 0.00 0.00 178.44 178.30 3i1p h VAL 28 N 0.78 1.50 -0.02 1.05 -1.51 -0.92 -3.00 116.25 114.14 3i1p h VAL 28 Ca 0.08 -2.48 -0.14 0.00 -1.23 0.00 0.00 66.70 62.93 3i1p h VAL 28 Cb 0.89 2.34 -0.02 0.00 -2.13 0.00 0.00 31.29 32.38 3i1p h VAL 28 CO 0.08 0.71 -0.65 -0.74 -1.23 0.00 0.00 177.57 175.74 3i1p h HIS 29 N 0.04 0.13 0.00 5.19 -0.00 -0.94 -3.09 115.15 116.48 3i1p h HIS 29 Ca -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 3i1p h HIS 29 Cb 1.32 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 3i1p h HIS 29 CO 0.01 0.72 0.00 0.94 -0.00 0.00 0.00 177.93 179.60 3i1p n GLN 30 N -3.79 0.09 -0.01 5.26 7.27 -0.15 -2.39 117.38 123.65 3i1p n GLN 30 Ca -0.02 0.29 0.02 0.00 0.07 0.00 0.00 57.00 57.36 3i1p n GLN 30 Cb 0.65 -1.66 0.02 0.00 2.41 0.00 0.00 30.24 31.66 3i1p n GLN 30 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 3i1p n VAL 31 N -1.83 0.13 -0.03 1.69 0.24 -1.18 -4.23 118.33 113.12 3i1p n VAL 31 Ca 0.03 -0.56 -0.02 0.00 -2.04 0.00 0.00 64.34 61.75 3i1p n VAL 31 Cb 0.23 1.02 -0.05 0.00 -1.47 0.00 0.00 33.84 33.56 3i1p n VAL 31 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3i1p n VAL 32 N 0.21 0.39 0.10 3.34 0.24 -1.03 -3.47 118.33 118.11 3i1p n VAL 32 Ca 0.03 -0.27 0.08 0.00 -2.04 0.00 0.00 64.34 62.14 3i1p n VAL 32 Cb 0.14 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 3i1p n VAL 32 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3i1p h VAL 33 N 0.00 0.19 0.00 3.34 2.07 -1.74 -2.68 116.25 117.43 3i1p h VAL 33 Ca -0.15 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 65.98 3i1p h VAL 33 Cb 1.24 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3i1p h VAL 33 CO 0.01 0.11 -0.23 0.00 0.02 0.00 0.00 177.57 177.47 3i1p h ALA 34 N 1.82 0.92 -0.13 1.67 0.00 -1.78 -2.98 119.26 118.78 3i1p h ALA 34 Ca -0.04 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 3i1p h ALA 34 Cb 1.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.94 3i1p h ALA 34 CO 0.02 0.29 -0.55 -0.92 0.00 0.00 0.00 179.25 178.09 3i1p h TYR 35 N 0.00 0.81 -0.22 0.00 5.03 -1.58 -2.87 116.97 118.15 3i1p h TYR 35 Ca -0.00 -0.35 0.06 0.00 2.58 0.00 0.00 58.73 61.02 3i1p h TYR 35 Cb 0.94 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 3i1p h TYR 35 CO 0.00 1.14 0.33 0.00 -1.32 0.00 0.00 178.16 178.30 3i1p h ALA 36 N 0.51 1.76 -2.28 1.82 0.00 -1.33 -3.35 119.26 116.40 3i1p h ALA 36 Ca -0.03 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.41 3i1p h ALA 36 Cb 1.19 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3i1p h ALA 36 CO 0.12 -0.44 0.37 0.00 0.00 0.00 0.00 179.25 179.29 3i1p s ALA 37 N -4.46 3.03 0.00 0.00 0.00 -1.08 -1.40 121.76 117.85 3i1p s ALA 37 Ca -0.04 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3i1p s ALA 37 Cb 0.13 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 20.05 3i1p s ALA 37 CO 0.47 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.59 3i1p n GLY 38 N -0.16 2.18 0.16 0.00 0.00 -1.26 -4.42 105.19 101.69 3i1p n GLY 38 Ca 0.06 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.83 3i1p n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1p h ALA 39 N 0.00 1.00 -1.85 4.61 0.00 -1.68 -3.38 119.26 117.95 3i1p h ALA 39 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 3i1p h ALA 39 Cb 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.60 3i1p h ALA 39 CO 0.00 0.00 0.23 0.50 0.00 0.00 0.00 179.25 179.98 3i1p s ARG 40 N -3.32 3.08 0.00 0.00 6.06 -0.50 -5.01 118.95 119.27 3i1p s ARG 40 Ca 0.06 -1.23 0.00 0.00 -2.50 0.00 0.00 55.73 52.05 3i1p s ARG 40 Cb 0.10 -4.28 0.00 0.00 0.06 0.00 0.00 34.95 30.83 3i1p s ARG 40 CO 0.49 -1.61 0.00 0.94 -2.50 0.00 0.00 175.30 172.62 3i1p n GLN 41 N 6.63 0.00 0.00 5.12 7.27 -1.26 -4.40 117.38 130.74 3i1p n GLN 41 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 3i1p n GLN 41 Cb 0.43 -0.09 0.00 0.00 2.41 0.00 0.00 30.24 33.00 3i1p n GLN 41 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i1p n GLY 42 N 0.62 -0.21 3.46 1.69 0.00 -1.25 -4.31 105.19 105.18 3i1p n GLY 42 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3i1p n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1p n THR 43 N 0.00 -7.31 -3.31 2.61 -2.24 -1.25 -4.78 114.28 98.00 3i1p n THR 43 Ca 0.00 -0.78 -0.36 0.00 -2.27 0.00 0.00 64.05 60.64 3i1p n THR 43 Cb 0.00 -5.27 -0.06 0.00 -2.10 0.00 0.00 70.33 62.91 3i1p n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i1p s ARG 44 N -4.83 4.03 0.00 -0.78 1.81 -1.26 -4.92 118.95 113.00 3i1p s ARG 44 Ca 0.31 0.56 0.00 0.00 -1.72 0.00 0.00 55.73 54.88 3i1p s ARG 44 Cb -0.09 -2.93 0.00 0.00 -0.45 0.00 0.00 34.95 31.48 3i1p s ARG 44 CO 0.81 0.47 0.00 0.00 -0.68 0.00 0.00 175.30 175.90 3i1p n ALA 45 N 0.82 0.00 0.00 2.13 0.00 -1.26 -3.39 120.51 118.81 3i1p n ALA 45 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3i1p n ALA 45 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3i1p n ALA 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i1p n GLN 46 N 0.00 0.00 -3.83 0.00 1.13 -1.26 -4.42 117.38 109.00 3i1p n GLN 46 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 3i1p n GLN 46 Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.24 3i1p n GLN 46 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3i1p s LYS 47 N -3.53 0.31 0.51 -1.09 1.02 -1.26 -4.91 119.74 110.79 3i1p s LYS 47 Ca 0.00 0.04 -0.06 0.00 0.02 0.00 0.00 55.97 55.97 3i1p s LYS 47 Cb 0.00 0.14 0.11 0.00 -0.52 0.00 0.00 37.83 37.56 3i1p s LYS 47 CO 0.00 -0.06 0.69 0.25 -0.92 0.00 0.00 175.35 175.32 3i1p n THR 48 N 2.46 0.00 1.10 2.17 -2.24 -1.26 -3.09 114.28 113.41 3i1p n THR 48 Ca -0.16 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 3i1p n THR 48 Cb 0.58 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 3i1p n THR 48 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3i1p n ARG 49 N -2.42 0.84 -0.03 -0.78 1.85 -1.26 -2.25 116.66 112.60 3i1p n ARG 49 Ca 0.09 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.90 3i1p n ARG 49 Cb 0.33 -1.29 -0.03 0.00 -1.05 0.00 0.00 32.46 30.41 3i1p n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1p n ALA 50 N -0.10 1.85 0.15 2.89 0.00 -1.26 -4.64 120.51 119.40 3i1p n ALA 50 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 53.44 53.14 3i1p n ALA 50 Cb 0.14 0.30 0.18 0.00 0.00 0.00 0.00 19.45 20.08 3i1p n ALA 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i1p h GLU 51 N 0.00 0.00 -6.76 0.00 4.39 -1.82 -3.44 114.58 106.94 3i1p h GLU 51 Ca -0.16 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.99 3i1p h GLU 51 Cb 1.26 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 30.00 3i1p h GLU 51 CO -0.02 0.56 0.77 0.28 -1.16 0.00 0.00 179.01 179.45 3i1p n VAL 52 N -3.58 1.22 -4.74 3.13 0.31 -0.96 -4.95 118.33 108.76 3i1p n VAL 52 Ca -0.00 -0.30 -0.33 0.00 -0.01 0.00 0.00 64.34 63.70 3i1p n VAL 52 Cb 0.63 -1.82 -0.08 0.00 -0.91 0.00 0.00 33.84 31.66 3i1p n VAL 52 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3i1p s THR 53 N -0.25 1.23 0.00 2.52 -1.32 -1.26 -4.84 115.64 111.72 3i1p s THR 53 Ca 0.63 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.12 3i1p s THR 53 Cb -0.53 -2.22 0.00 0.00 -1.51 0.00 0.00 72.50 68.24 3i1p s THR 53 CO 0.52 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.54 3i1p n GLY 54 N -1.25 2.98 0.00 6.08 0.00 -1.26 -5.05 105.19 106.69 3i1p n GLY 54 Ca -0.18 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3i1p n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1p n SER 55 N 0.00 0.00 -0.65 1.61 3.41 -1.26 -5.01 113.62 111.72 3i1p n SER 55 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 3i1p n SER 55 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3i1p n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1p n GLY 56 N 0.00 0.00 3.71 5.00 0.00 -1.26 -5.12 105.19 107.52 3i1p n GLY 56 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i1p n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1p s LYS 57 N 0.00 4.36 -0.36 1.61 -0.14 -1.26 -5.00 119.74 118.95 3i1p s LYS 57 Ca 0.00 1.89 -0.02 0.00 -1.36 0.00 0.00 55.97 56.48 3i1p s LYS 57 Cb 0.00 -3.39 0.08 0.00 -1.68 0.00 0.00 37.83 32.84 3i1p s LYS 57 CO 0.00 -0.40 0.10 0.15 -0.76 0.00 0.00 175.35 174.44 3i1p s LYS 58 N 1.50 2.14 0.34 1.68 3.01 -1.26 -3.67 119.74 123.48 3i1p s LYS 58 Ca 0.61 -1.58 -0.28 0.00 -1.01 0.00 0.00 55.97 53.71 3i1p s LYS 58 Cb -0.31 -3.38 -0.09 0.00 -1.01 0.00 0.00 37.83 33.04 3i1p s LYS 58 CO 0.28 -0.86 1.19 -2.14 0.51 0.00 0.00 175.35 174.33 3i1p s PRO 59 N 1.17 4.35 0.00 -1.68 0.02 -1.25 -4.95 135.00 132.66 3i1p s PRO 59 Ca 0.03 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.01 3i1p s PRO 59 Cb -0.21 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3i1p s PRO 59 CO -0.03 -0.10 0.00 0.91 -0.33 0.00 0.00 177.00 177.45 3i1p n TRP 60 N 0.69 0.00 -0.32 6.54 7.02 -1.26 -4.48 117.44 125.62 3i1p n TRP 60 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 3i1p n TRP 60 Cb 0.44 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.33 3i1p n TRP 60 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 3i1p n ARG 61 N 0.00 0.00 0.00 -0.99 0.00 -1.26 -4.96 116.66 109.45 3i1p n ARG 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i1p n ARG 61 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 32.46 29.92 3i1p n ARG 61 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3i1p n GLN 62 N -2.00 0.00 -1.55 -0.14 7.27 -1.26 -4.11 117.38 115.59 3i1p n GLN 62 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.80 3i1p n GLN 62 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 3i1p n GLN 62 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3i1p n LYS 63 N 0.21 0.80 0.00 3.69 4.76 -1.26 -2.48 118.16 123.88 3i1p n LYS 63 Ca 0.00 -0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.09 3i1p n LYS 63 Cb 0.00 -3.46 0.00 0.00 -1.84 0.00 0.00 35.03 29.73 3i1p n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1p n GLY 64 N 6.34 -0.71 3.80 0.72 0.00 -1.26 -5.15 105.19 108.93 3i1p n GLY 64 Ca 0.42 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 3i1p n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i1p s THR 65 N -0.20 2.39 0.00 2.61 -1.32 -1.04 -5.07 115.64 113.02 3i1p s THR 65 Ca 0.00 -1.55 -0.24 0.00 -1.21 0.00 0.00 61.69 58.69 3i1p s THR 65 Cb 0.00 -2.94 -0.14 0.00 -1.51 0.00 0.00 72.50 67.91 3i1p s THR 65 CO 0.00 0.00 1.04 1.23 -2.21 0.00 0.00 174.62 174.68 3i1p h GLY 66 N 1.23 -0.80 -3.75 6.08 0.00 -1.97 -3.46 103.07 100.40 3i1p h GLY 66 Ca -0.42 0.30 -0.60 0.00 0.00 0.00 0.00 47.33 46.61 3i1p h GLY 66 CO 0.65 -0.29 -0.52 -0.96 0.00 0.00 0.00 176.54 175.42 3i1p n ARG 67 N -5.30 0.46 -2.97 4.80 1.85 -1.26 -4.92 116.66 109.32 3i1p n ARG 67 Ca -0.10 0.17 -0.43 0.00 -1.00 0.00 0.00 57.85 56.48 3i1p n ARG 67 Cb 0.32 -1.48 -0.05 0.00 -1.05 0.00 0.00 32.46 30.21 3i1p n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1p s ALA 68 N -1.61 3.25 0.00 2.89 0.00 -1.26 -4.90 121.76 120.13 3i1p s ALA 68 Ca 0.64 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3i1p s ALA 68 Cb -0.55 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 18.96 3i1p s ALA 68 CO 0.58 -2.34 0.00 0.54 0.00 0.00 0.00 175.76 174.55 3i1p n ARG 69 N 6.98 0.00 -2.26 0.00 3.00 -1.26 -4.75 116.66 118.36 3i1p n ARG 69 Ca -0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.75 3i1p n ARG 69 Cb 0.46 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.95 3i1p n ARG 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3i1p n SER 70 N 0.84 -3.01 -0.11 0.55 2.88 -1.26 -4.47 113.62 109.03 3i1p n SER 70 Ca 0.00 -0.24 -0.08 0.00 -1.33 0.00 0.00 58.87 57.22 3i1p n SER 70 Cb 0.00 -2.15 -0.02 0.00 -0.75 0.00 0.00 64.21 61.29 3i1p n SER 70 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3i1p h GLY 71 N -0.49 -0.29 -4.24 0.46 0.00 -1.86 -3.33 103.07 93.32 3i1p h GLY 71 Ca -0.21 0.43 -0.14 0.00 0.00 0.00 0.00 47.33 47.41 3i1p h GLY 71 CO 0.16 -0.21 -0.56 -0.45 0.00 0.00 0.00 176.54 175.48 3i1p s SER 72 N -5.06 0.19 0.00 0.19 0.15 -1.26 -4.50 113.70 103.41 3i1p s SER 72 Ca -0.15 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 55.98 3i1p s SER 72 Cb 0.13 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 3i1p s SER 72 CO 0.67 -0.46 0.63 0.00 1.20 0.00 0.00 173.24 175.28 3i1p n ILE 73 N 0.96 0.00 -0.30 6.45 0.13 -1.24 -3.51 119.36 121.84 3i1p n ILE 73 Ca -0.20 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.45 3i1p n ILE 73 Cb 0.58 -0.18 0.00 0.00 -0.84 0.00 0.00 39.64 39.19 3i1p n ILE 73 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 3i1p n LYS 74 N -0.45 0.91 -1.26 9.51 5.02 -1.26 -4.92 118.16 125.72 3i1p n LYS 74 Ca 0.00 -0.18 -0.35 0.00 -2.02 0.00 0.00 58.31 55.76 3i1p n LYS 74 Cb 0.01 -0.60 0.10 0.00 -0.02 0.00 0.00 35.03 34.52 3i1p n LYS 74 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i1p n SER 75 N -0.18 0.38 0.32 4.39 3.41 -1.23 -4.13 113.62 116.58 3i1p n SER 75 Ca 0.00 0.63 0.21 0.00 -0.26 0.00 0.00 58.87 59.45 3i1p n SER 75 Cb 0.08 -1.41 1.06 0.00 -0.26 0.00 0.00 64.21 63.68 3i1p n SER 75 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3i1p h PRO 76 N -0.48 0.00 0.00 4.33 0.11 -1.86 0.15 132.00 134.25 3i1p h PRO 76 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i1p h PRO 76 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3i1p h PRO 76 CO 0.46 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.36 3i1p n ILE 77 N -3.09 0.03 -3.80 4.15 2.08 -1.26 -4.82 119.36 112.65 3i1p n ILE 77 Ca -0.02 0.01 -0.21 0.00 0.56 0.00 0.00 62.75 63.09 3i1p n ILE 77 Cb 0.14 -0.54 -0.02 0.00 -0.75 0.00 0.00 39.64 38.47 3i1p n ILE 77 CO 0.00 0.00 0.00 0.86 0.56 0.00 0.00 176.55 177.97 3i1p s TRP 78 N -2.19 3.37 0.00 1.39 -0.11 0.52 -5.12 118.94 116.81 3i1p s TRP 78 Ca 0.39 -0.04 0.00 0.00 1.22 0.00 0.00 56.10 57.67 3i1p s TRP 78 Cb 0.20 -1.70 0.00 0.00 -1.50 0.00 0.00 33.47 30.47 3i1p s TRP 78 CO 0.37 0.30 0.00 -2.13 -4.62 0.00 0.00 176.95 170.87 3i1p n ARG 79 N -1.50 3.31 -0.55 5.86 0.63 -1.26 -4.74 116.66 118.41 3i1p n ARG 79 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 3i1p n ARG 79 Cb 0.57 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.48 3i1p n ARG 79 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3i1p n SER 80 N 0.00 0.00 -1.27 6.15 7.64 -1.26 -4.52 113.62 120.36 3i1p n SER 80 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 3i1p n SER 80 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 3i1p n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1p n GLY 81 N 0.39 -2.33 0.00 0.23 0.00 -1.26 -4.83 105.19 97.39 3i1p n GLY 81 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3i1p n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1p n GLY 82 N -3.95 0.37 3.71 -0.02 0.00 -1.26 -4.73 105.19 99.31 3i1p n GLY 82 Ca -0.05 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3i1p n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1p s VAL 83 N 0.00 3.75 0.02 1.61 1.01 -1.18 -3.65 120.40 121.96 3i1p s VAL 83 Ca 0.00 1.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.98 3i1p s VAL 83 Cb 0.00 -3.80 -0.18 0.00 0.00 0.00 0.00 36.38 32.40 3i1p s VAL 83 CO 0.00 0.09 1.41 0.74 0.00 0.00 0.00 175.10 177.34 3i1p h THR 84 N 4.46 1.18 -0.51 3.92 2.02 -1.93 -3.35 112.91 118.69 3i1p h THR 84 Ca -0.41 -0.72 -0.37 0.00 0.77 0.00 0.00 66.41 65.67 3i1p h THR 84 Cb 1.21 1.66 -0.35 0.00 -1.74 0.00 0.00 68.15 68.93 3i1p h THR 84 CO 0.84 0.18 -0.83 0.49 0.37 0.00 0.00 175.52 176.57 3i1p n PHE 85 N -4.96 1.83 -0.59 3.16 3.72 -1.26 -4.88 117.46 114.48 3i1p n PHE 85 Ca -0.08 -1.98 -0.26 0.00 -0.05 0.00 0.00 57.45 55.08 3i1p n PHE 85 Cb 0.18 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 38.39 3i1p n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i1p n ALA 86 N -0.69 -0.17 -2.45 4.37 0.00 -1.26 -4.85 120.51 115.46 3i1p n ALA 86 Ca 0.31 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.46 3i1p n ALA 86 Cb 0.90 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 3i1p n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p s ALA 87 N 1.94 3.22 1.02 0.00 0.00 -1.26 -4.85 121.76 121.83 3i1p s ALA 87 Ca 0.46 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.81 3i1p s ALA 87 Cb -0.61 -3.29 0.21 0.00 0.00 0.00 0.00 23.12 19.44 3i1p s ALA 87 CO 0.29 -0.10 1.18 0.54 0.00 0.00 0.00 175.76 177.67 3i1p n ARG 88 N 3.24 -1.33 -1.53 0.00 5.12 -1.26 -4.45 116.66 116.45 3i1p n ARG 88 Ca 0.03 -1.82 -0.46 0.00 -1.93 0.00 0.00 57.85 53.67 3i1p n ARG 88 Cb 0.50 -1.25 -0.02 0.00 -1.16 0.00 0.00 32.46 30.52 3i1p n ARG 88 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3i1p n PRO 89 N -3.62 0.91 -5.19 5.56 -0.02 -1.22 -4.34 135.00 127.09 3i1p n PRO 89 Ca 0.15 0.32 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 3i1p n PRO 89 Cb 0.52 -1.60 -0.16 0.00 -0.02 0.00 0.00 33.50 32.24 3i1p n PRO 89 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3i1p s GLN 90 N -1.21 2.01 -0.14 -0.52 2.00 -1.26 -4.84 119.66 115.70 3i1p s GLN 90 Ca 0.63 -0.98 0.02 0.00 -2.00 0.00 0.00 55.36 53.03 3i1p s GLN 90 Cb -0.80 -2.01 0.01 0.00 0.80 0.00 0.00 33.01 31.02 3i1p s GLN 90 CO 0.58 0.54 -0.20 0.34 -0.50 0.00 0.00 175.29 176.05 3i1p s ASP 91 N -0.78 2.98 0.00 6.67 2.15 -1.26 -3.88 116.67 122.55 3i1p s ASP 91 Ca 0.10 -0.57 0.08 0.00 0.43 0.00 0.00 52.55 52.59 3i1p s ASP 91 Cb -0.10 -1.38 0.13 0.00 -0.30 0.00 0.00 42.92 41.28 3i1p s ASP 91 CO -0.00 0.06 0.94 1.41 -0.17 0.00 0.00 175.17 177.41 3i1p n HIS 92 N 4.15 0.15 -1.68 -5.34 8.25 -1.26 -5.01 115.22 114.48 3i1p n HIS 92 Ca -0.20 -0.22 -0.47 0.00 -0.26 0.00 0.00 57.72 56.58 3i1p n HIS 92 Cb 0.51 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 3i1p n HIS 92 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i1p n SER 93 N 0.35 3.65 -4.84 0.41 7.64 -1.26 -4.60 113.62 114.97 3i1p n SER 93 Ca 0.06 0.95 -0.32 0.00 1.01 0.00 0.00 58.87 60.58 3i1p n SER 93 Cb 0.28 -1.41 -0.04 0.00 -1.01 0.00 0.00 64.21 62.02 3i1p n SER 93 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3i1p s GLN 94 N 4.15 3.97 0.32 1.43 -1.52 -1.26 -4.97 119.66 121.78 3i1p s GLN 94 Ca 0.92 0.90 0.02 0.00 -1.95 0.00 0.00 55.36 55.25 3i1p s GLN 94 Cb -0.62 -2.19 0.59 0.00 -0.22 0.00 0.00 33.01 30.57 3i1p s GLN 94 CO 0.49 -0.18 1.93 -0.22 -0.25 0.00 0.00 175.29 177.05 3i1p h LYS 95 N 1.17 0.93 -5.45 2.91 3.64 -1.93 -3.48 116.57 114.35 3i1p h LYS 95 Ca -0.47 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 3i1p h LYS 95 Cb 1.18 -0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 32.72 3i1p h LYS 95 CO 0.62 0.61 -1.02 0.28 -2.27 0.00 0.00 179.45 177.67 3i1p n VAL 96 N -4.48 -8.53 -2.19 2.00 0.31 -1.26 -4.82 118.33 99.36 3i1p n VAL 96 Ca 0.13 1.73 -0.43 0.00 -0.01 0.00 0.00 64.34 65.76 3i1p n VAL 96 Cb 0.20 -5.11 -0.02 0.00 -0.91 0.00 0.00 33.84 28.00 3i1p n VAL 96 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3i1p s ASN 97 N -0.52 6.25 -0.82 4.52 3.84 -1.26 -4.89 114.94 122.06 3i1p s ASN 97 Ca -0.17 1.22 -0.26 0.00 0.21 0.00 0.00 52.86 53.87 3i1p s ASN 97 Cb 0.01 -2.53 -0.21 0.00 -0.55 0.00 0.00 41.25 37.96 3i1p s ASN 97 CO 0.50 -1.43 1.92 1.17 -2.79 0.00 0.00 177.10 176.47 3i1p n LYS 98 N 8.00 0.75 0.00 0.43 4.81 -1.26 0.14 118.16 131.02 3i1p n LYS 98 Ca 0.19 -1.79 0.00 0.00 -0.87 0.00 0.00 58.31 55.84 3i1p n LYS 98 Cb 0.47 -3.39 0.00 0.00 0.02 0.00 0.00 35.03 32.13 3i1p n LYS 98 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3i1p n LYS 99 N 7.95 0.00 0.02 1.64 4.81 -1.26 -4.87 118.16 126.45 3i1p n LYS 99 Ca 0.45 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 58.02 3i1p n LYS 99 Cb 0.45 0.00 0.38 0.00 0.02 0.00 0.00 35.03 35.87 3i1p n LYS 99 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3i1p n MET 100 N 0.00 0.08 0.10 1.64 2.81 0.12 -1.62 117.12 120.25 3i1p n MET 100 Ca 0.00 0.04 -0.18 0.00 -1.81 0.00 0.00 57.70 55.75 3i1p n MET 100 Cb 0.00 -1.57 -0.14 0.00 -0.71 0.00 0.00 33.22 30.80 3i1p n MET 100 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 3i1p h TYR 101 N 0.00 0.59 0.14 2.03 3.20 -1.72 -3.13 116.97 118.07 3i1p h TYR 101 Ca 0.00 -0.43 -0.01 0.00 3.14 0.00 0.00 58.73 61.43 3i1p h TYR 101 Cb 0.57 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3i1p h TYR 101 CO 0.00 1.37 -0.07 0.00 -1.64 0.00 0.00 178.16 177.82 3i1p h ARG 102 N 0.09 -0.18 0.00 1.82 3.08 -1.84 -1.33 114.38 116.03 3i1p h ARG 102 Ca -0.19 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3i1p h ARG 102 Cb 2.03 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.12 3i1p h ARG 102 CO 0.21 0.16 0.17 0.78 -1.07 0.00 0.00 179.97 180.22 3i1p h GLY 103 N -0.98 0.00 0.23 0.04 0.00 -1.48 -0.04 103.07 100.84 3i1p h GLY 103 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.94 3i1p h GLY 103 CO 0.03 0.00 -2.14 0.00 0.00 0.00 0.00 176.54 174.43 3i1p n ALA 104 N -1.70 1.11 0.04 3.60 0.00 -1.18 -4.11 120.51 118.26 3i1p n ALA 104 Ca -0.01 -0.83 0.21 0.00 0.00 0.00 0.00 53.44 52.81 3i1p n ALA 104 Cb 0.20 -0.35 0.74 0.00 0.00 0.00 0.00 19.45 20.04 3i1p n ALA 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i1p h LEU 105 N -0.26 0.00 -0.06 0.00 7.12 0.19 -0.81 115.31 121.50 3i1p h LEU 105 Ca -0.51 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.41 3i1p h LEU 105 Cb 1.83 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.96 3i1p h LEU 105 CO -0.09 0.00 -0.33 0.11 -0.13 0.00 0.00 178.44 178.00 3i1p h LYS 106 N 0.00 0.32 -0.36 1.25 1.57 -1.59 -2.96 116.57 114.80 3i1p h LYS 106 Ca 0.23 -0.27 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 3i1p h LYS 106 Cb 1.11 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 3i1p h LYS 106 CO -0.00 0.92 -0.25 0.77 -0.57 0.00 0.00 179.45 180.32 3i1p h SER 107 N -0.19 0.75 0.67 0.86 0.02 -1.33 1.07 113.55 115.41 3i1p h SER 107 Ca -0.03 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3i1p h SER 107 Cb 0.99 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3i1p h SER 107 CO 0.07 0.97 0.00 0.00 -1.14 0.00 0.00 176.83 176.73 3i1p n ILE 108 N -4.10 0.85 -0.10 3.27 0.00 -0.75 -2.01 119.36 116.53 3i1p n ILE 108 Ca -0.00 0.20 -0.13 0.00 0.00 0.00 0.00 62.75 62.82 3i1p n ILE 108 Cb 0.45 -1.02 -0.09 0.00 0.00 0.00 0.00 39.64 38.97 3i1p n ILE 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3i1p n LEU 109 N -1.86 2.82 0.14 9.51 7.94 -0.55 -3.76 117.00 131.25 3i1p n LEU 109 Ca 0.03 -0.10 -0.13 0.00 -1.11 0.00 0.00 56.01 54.70 3i1p n LEU 109 Cb 0.22 -0.63 -0.08 0.00 0.53 0.00 0.00 43.42 43.46 3i1p n LEU 109 CO 0.18 0.81 0.60 0.28 -1.11 0.00 0.00 177.39 178.14 3i1p h SER 110 N 0.00 -0.31 -0.07 1.96 0.02 0.12 -0.61 113.55 114.65 3i1p h SER 110 Ca -0.44 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.36 3i1p h SER 110 Cb 1.70 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 64.31 3i1p h SER 110 CO -0.06 0.02 0.08 -0.08 -1.14 0.00 0.00 176.83 175.64 3i1p h GLU 111 N -0.66 0.00 0.00 3.45 4.22 -1.63 0.64 114.58 120.60 3i1p h GLU 111 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 3i1p h GLU 111 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3i1p h GLU 111 CO 0.06 0.00 0.00 1.25 -2.18 0.00 0.00 179.01 178.14 3i1p h LEU 112 N 0.00 0.00 0.00 1.64 7.12 -1.43 -2.46 115.31 120.18 3i1p h LEU 112 Ca 0.04 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.92 3i1p h LEU 112 Cb 0.19 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 3i1p h LEU 112 CO -0.00 0.00 -1.90 0.55 -0.13 0.00 0.00 178.44 176.96 3i1p n VAL 113 N -2.72 0.48 0.07 1.05 3.14 0.18 -2.01 118.33 118.52 3i1p n VAL 113 Ca 0.02 -0.51 -0.13 0.00 -2.96 0.00 0.00 64.34 60.76 3i1p n VAL 113 Cb 0.31 -0.20 -0.08 0.00 -1.06 0.00 0.00 33.84 32.81 3i1p n VAL 113 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 3i1p h ARG 114 N 0.00 -0.15 -1.94 1.45 3.08 -0.19 -2.78 114.38 113.85 3i1p h ARG 114 Ca -0.19 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 3i1p h ARG 114 Cb 1.30 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 3i1p h ARG 114 CO 0.01 0.12 0.04 1.04 -1.07 0.00 0.00 179.97 180.10 3i1p n GLN 115 N -5.04 1.17 -1.42 0.04 1.13 -0.95 -4.81 117.38 107.50 3i1p n GLN 115 Ca -0.08 -0.28 0.00 0.00 -1.94 0.00 0.00 57.00 54.70 3i1p n GLN 115 Cb 0.18 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.39 3i1p n GLN 115 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3i1p n ASP 116 N 1.40 -0.45 -0.18 1.08 5.68 -1.05 -4.64 116.55 118.39 3i1p n ASP 116 Ca 0.07 0.22 0.09 0.00 -0.50 0.00 0.00 54.79 54.67 3i1p n ASP 116 Cb 0.53 -0.52 0.44 0.00 -1.14 0.00 0.00 41.12 40.44 3i1p n ASP 116 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3i1p n ARG 117 N -1.27 1.24 -3.87 0.11 3.00 -1.01 -4.61 116.66 110.25 3i1p n ARG 117 Ca 0.00 -0.36 -0.35 0.00 -0.00 0.00 0.00 57.85 57.14 3i1p n ARG 117 Cb 0.22 -1.30 -0.13 0.00 0.00 0.00 0.00 32.46 31.26 3i1p n ARG 117 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3i1p s LEU 118 N -1.51 4.15 -0.58 6.15 2.96 -0.85 -3.48 118.68 125.52 3i1p s LEU 118 Ca 0.27 -1.37 -0.11 0.00 -0.22 0.00 0.00 54.13 52.70 3i1p s LEU 118 Cb 0.13 -1.75 0.15 0.00 0.50 0.00 0.00 46.19 45.22 3i1p s LEU 118 CO 0.21 -0.31 0.49 0.27 -1.32 0.00 0.00 176.35 175.69 3i1p s ILE 119 N 1.25 4.74 0.19 6.68 -4.36 -1.25 -4.98 121.20 123.47 3i1p s ILE 119 Ca -0.03 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 58.08 3i1p s ILE 119 Cb -0.20 -4.05 -0.08 0.00 1.25 0.00 0.00 42.46 39.39 3i1p s ILE 119 CO -0.01 -0.87 0.95 0.54 0.24 0.00 0.00 174.94 175.80 3i1p s VAL 120 N 1.01 4.23 -0.09 8.37 0.11 -1.26 -4.56 120.40 128.21 3i1p s VAL 120 Ca 0.09 2.07 -0.03 0.00 -2.93 0.00 0.00 61.98 61.17 3i1p s VAL 120 Cb -0.23 -4.32 0.04 0.00 -1.53 0.00 0.00 36.38 30.34 3i1p s VAL 120 CO -0.02 0.42 0.08 0.68 -3.33 0.00 0.00 175.10 172.93 3i1p s VAL 121 N -0.69 -0.12 -0.50 2.04 -7.23 -1.24 -1.49 120.40 111.16 3i1p s VAL 121 Ca 0.44 0.22 -0.26 0.00 -1.81 0.00 0.00 61.98 60.56 3i1p s VAL 121 Cb -0.25 -0.31 -0.08 0.00 0.56 0.00 0.00 36.38 36.30 3i1p s VAL 121 CO 0.31 0.02 2.42 1.21 -0.31 0.00 0.00 175.10 178.75 3i1p n GLU 122 N 5.30 1.03 -2.14 4.82 2.13 -1.26 -0.90 120.64 129.61 3i1p n GLU 122 Ca -0.04 0.02 -0.01 0.00 0.66 0.00 0.00 57.16 57.78 3i1p n GLU 122 Cb 0.50 -3.35 -0.01 0.00 0.27 0.00 0.00 31.44 28.84 3i1p n GLU 122 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3i1p n LYS 123 N 8.97 -2.22 -3.39 5.31 4.81 -1.26 -4.90 118.16 125.48 3i1p n LYS 123 Ca 0.38 1.94 -0.16 0.00 -0.87 0.00 0.00 58.31 59.60 3i1p n LYS 123 Cb 0.52 -3.36 -0.09 0.00 0.02 0.00 0.00 35.03 32.12 3i1p n LYS 123 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3i1p s PHE 124 N -0.67 -0.53 0.00 5.64 2.19 -1.26 -5.00 117.98 118.35 3i1p s PHE 124 Ca -0.07 -0.09 0.00 0.00 0.33 0.00 0.00 56.93 57.10 3i1p s PHE 124 Cb 0.00 -0.42 0.00 0.00 -1.31 0.00 0.00 43.02 41.30 3i1p s PHE 124 CO 0.44 -0.92 0.00 0.43 1.83 0.00 0.00 175.22 177.00 3i1p n SER 125 N 5.32 0.00 -3.69 6.13 7.64 -1.26 -4.89 113.62 122.87 3i1p n SER 125 Ca -0.02 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.87 3i1p n SER 125 Cb 0.47 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.68 3i1p n SER 125 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i1p s VAL 126 N 3.62 0.00 0.00 0.44 0.11 -1.26 -5.15 120.40 118.16 3i1p s VAL 126 Ca 0.00 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 3i1p s VAL 126 Cb 0.00 -2.89 0.00 0.00 -1.53 0.00 0.00 36.38 31.96 3i1p s VAL 126 CO 0.00 0.00 0.00 -1.84 -3.33 0.00 0.00 175.10 169.93 3i1p n GLU 127 N -0.83 0.00 -2.97 1.54 0.00 -1.26 -4.74 120.64 112.38 3i1p n GLU 127 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.97 3i1p n GLU 127 Cb 0.59 0.00 0.07 0.00 0.00 0.00 0.00 31.44 32.10 3i1p n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1p s ALA 128 N -3.50 4.58 -0.66 -1.84 0.00 -1.26 -3.94 121.76 115.14 3i1p s ALA 128 Ca 0.00 -2.11 -0.36 0.00 0.00 0.00 0.00 51.96 49.49 3i1p s ALA 128 Cb 0.00 -1.53 -0.18 0.00 0.00 0.00 0.00 23.12 21.42 3i1p s ALA 128 CO 0.00 -0.98 2.38 -2.30 0.00 0.00 0.00 175.76 174.87 3i1p n PRO 129 N -2.35 0.30 -3.40 0.00 -0.02 -1.10 -4.74 135.00 123.70 3i1p n PRO 129 Ca 0.16 0.05 -0.19 0.00 -2.02 0.00 0.00 63.50 61.50 3i1p n PRO 129 Cb 0.62 -1.86 -0.09 0.00 -0.02 0.00 0.00 33.50 32.14 3i1p n PRO 129 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3i1p s LYS 130 N 7.37 0.45 -0.44 -0.52 -0.14 -1.26 -4.94 119.74 120.26 3i1p s LYS 130 Ca 1.22 -0.55 0.02 0.00 -1.36 0.00 0.00 55.97 55.30 3i1p s LYS 130 Cb -1.17 -0.78 0.55 0.00 -1.68 0.00 0.00 37.83 34.76 3i1p s LYS 130 CO 0.53 -1.11 1.86 0.25 -0.76 0.00 0.00 175.35 176.12 3i1p n THR 131 N 4.78 3.07 0.00 2.17 -2.24 -1.26 -2.40 114.28 118.40 3i1p n THR 131 Ca 0.04 -1.91 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 3i1p n THR 131 Cb 0.45 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 3i1p n THR 131 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i1p n LYS 132 N -0.89 0.92 -0.07 -0.78 4.81 -1.26 -4.71 118.16 116.18 3i1p n LYS 132 Ca 0.54 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.93 3i1p n LYS 132 Cb 1.34 -0.13 -0.02 0.00 0.02 0.00 0.00 35.03 36.25 3i1p n LYS 132 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3i1p h LEU 133 N 0.00 0.00 -1.48 3.14 6.46 -1.95 -3.05 115.31 118.43 3i1p h LEU 133 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3i1p h LEU 133 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3i1p h LEU 133 CO 0.00 0.74 0.00 0.25 -0.62 0.00 0.00 178.44 178.81 3i1p h LEU 134 N -1.00 0.00 0.01 2.25 5.85 -1.83 0.57 115.31 121.16 3i1p h LEU 134 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3i1p h LEU 134 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3i1p h LEU 134 CO -0.00 0.00 -0.00 0.00 -0.34 0.00 0.00 178.44 178.09 3i1p h ALA 135 N 2.06 -0.01 -0.08 1.25 0.00 -1.71 -2.84 119.26 117.93 3i1p h ALA 135 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3i1p h ALA 135 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3i1p h ALA 135 CO 0.00 -0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.27 3i1p n GLN 136 N -4.67 1.53 -0.08 0.00 1.13 -1.11 -2.78 117.38 111.40 3i1p n GLN 136 Ca -0.08 -0.44 -0.07 0.00 -1.94 0.00 0.00 57.00 54.47 3i1p n GLN 136 Cb 0.35 -1.57 -0.15 0.00 0.11 0.00 0.00 30.24 28.98 3i1p n GLN 136 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3i1p n LYS 137 N 0.07 0.87 0.10 -1.09 3.00 0.17 -4.28 118.16 117.00 3i1p n LYS 137 Ca 0.04 -0.03 -0.15 0.00 -0.00 0.00 0.00 58.31 58.17 3i1p n LYS 137 Cb 0.36 -1.49 -0.12 0.00 0.00 0.00 0.00 35.03 33.78 3i1p n LYS 137 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3i1p h LEU 138 N 0.00 0.43 -0.27 3.14 3.38 -1.32 -3.03 115.31 117.63 3i1p h LEU 138 Ca -0.46 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.08 3i1p h LEU 138 Cb 2.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.64 3i1p h LEU 138 CO 0.02 1.32 0.00 2.29 0.09 0.00 0.00 178.44 182.17 3i1p n LYS 139 N -3.56 0.06 0.04 1.13 2.85 -1.24 -0.60 118.16 116.84 3i1p n LYS 139 Ca -0.08 0.36 -0.13 0.00 -1.05 0.00 0.00 58.31 57.41 3i1p n LYS 139 Cb 0.99 -1.62 -0.09 0.00 -0.65 0.00 0.00 35.03 33.66 3i1p n LYS 139 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3i1p h ASP 140 N 0.00 -0.08 0.86 -5.58 3.45 -1.71 -2.13 116.42 111.23 3i1p h ASP 140 Ca 0.00 -0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.20 3i1p h ASP 140 Cb 0.22 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3i1p h ASP 140 CO 0.00 0.22 0.00 0.23 -1.57 0.00 0.00 179.24 178.12 3i1p n MET 141 N -5.00 0.15 -2.59 3.56 2.81 -0.66 -4.92 117.12 110.49 3i1p n MET 141 Ca -0.08 0.31 -0.03 0.00 -1.81 0.00 0.00 57.70 56.09 3i1p n MET 141 Cb 0.18 -1.75 0.01 0.00 -0.71 0.00 0.00 33.22 30.95 3i1p n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i1p n ALA 142 N -1.70 -0.15 -2.74 3.04 0.00 0.23 -5.06 120.51 114.12 3i1p n ALA 142 Ca 0.03 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 3i1p n ALA 142 Cb 0.27 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 3i1p n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i1p s LEU 143 N -1.68 3.66 0.00 0.00 1.02 -0.89 -4.94 118.68 115.84 3i1p s LEU 143 Ca 0.07 -0.09 0.03 0.00 0.02 0.00 0.00 54.13 54.15 3i1p s LEU 143 Cb -0.03 -2.35 -0.01 0.00 0.02 0.00 0.00 46.19 43.81 3i1p s LEU 143 CO 0.08 0.16 0.11 -1.84 0.02 0.00 0.00 176.35 174.89 3i1p n GLU 144 N 0.40 0.62 -3.85 1.70 0.28 -1.26 -4.36 120.64 114.16 3i1p n GLU 144 Ca -0.09 -3.56 -0.30 0.00 -0.16 0.00 0.00 57.16 53.05 3i1p n GLU 144 Cb 0.52 1.70 0.01 0.00 1.43 0.00 0.00 31.44 35.10 3i1p n GLU 144 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3i1p n ASP 145 N -1.47 -2.95 -4.78 -1.84 8.00 -1.26 -4.03 116.55 108.22 3i1p n ASP 145 Ca -0.09 -0.86 -0.39 0.00 0.71 0.00 0.00 54.79 54.16 3i1p n ASP 145 Cb 0.63 -1.10 -0.06 0.00 -0.02 0.00 0.00 41.12 40.57 3i1p n ASP 145 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i1p s VAL 146 N -3.68 4.88 -0.13 2.53 1.01 0.50 -1.94 120.40 123.57 3i1p s VAL 146 Ca 0.27 1.19 -0.10 0.00 0.00 0.00 0.00 61.98 63.33 3i1p s VAL 146 Cb -0.15 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 3i1p s VAL 146 CO 0.67 0.47 -0.19 -0.11 0.00 0.00 0.00 175.10 175.94 3i1p n LEU 147 N 2.38 1.55 -0.82 3.92 -0.00 -1.03 -3.22 117.00 119.78 3i1p n LEU 147 Ca -0.09 0.49 0.00 0.00 -0.00 0.00 0.00 56.01 56.42 3i1p n LEU 147 Cb 0.51 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 3i1p n LEU 147 CO 0.42 -0.43 0.00 -0.38 -0.00 0.00 0.00 177.39 177.00 3i1p n ILE 148 N -4.21 -1.64 -3.34 1.96 2.08 -1.26 -3.66 119.36 109.29 3i1p n ILE 148 Ca -0.08 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.12 3i1p n ILE 148 Cb 0.28 -2.44 -0.07 0.00 -0.75 0.00 0.00 39.64 36.66 3i1p n ILE 148 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 3i1p s ILE 149 N 0.00 -0.55 0.00 1.39 2.07 -1.22 -3.27 121.20 119.62 3i1p s ILE 149 Ca 0.00 -0.41 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 3i1p s ILE 149 Cb 0.00 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.64 3i1p s ILE 149 CO 0.00 -0.36 0.00 0.35 -1.91 0.00 0.00 174.94 173.02 3i1p n THR 150 N 5.23 0.00 0.00 4.00 -2.24 -1.25 -0.76 114.28 119.26 3i1p n THR 150 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3i1p n THR 150 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3i1p n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1p n GLY 151 N 5.00 0.53 0.00 3.38 0.00 -1.26 -2.86 105.19 109.98 3i1p n GLY 151 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i1p n GLY 151 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1p n GLU 152 N -0.40 0.02 -2.11 1.61 2.13 -1.26 -4.66 120.64 115.97 3i1p n GLU 152 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3i1p n GLU 152 Cb 0.00 -0.18 0.00 0.00 0.27 0.00 0.00 31.44 31.53 3i1p n GLU 152 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3i1p n LEU 153 N -0.49 -5.99 -4.77 4.31 0.00 -1.26 -4.95 117.00 103.84 3i1p n LEU 153 Ca 0.00 3.32 -0.38 0.00 0.00 0.00 0.00 56.01 58.95 3i1p n LEU 153 Cb 0.00 -3.18 -0.06 0.00 0.00 0.00 0.00 43.42 40.18 3i1p n LEU 153 CO 0.00 -1.79 0.65 1.51 0.00 0.00 0.00 177.39 177.77 3i1p s ASP 154 N -0.52 7.42 -0.24 1.96 1.47 -1.26 -4.92 116.67 120.58 3i1p s ASP 154 Ca 0.00 1.88 -0.06 0.00 1.18 0.00 0.00 52.55 55.56 3i1p s ASP 154 Cb 0.00 -2.59 -0.20 0.00 -0.34 0.00 0.00 42.92 39.79 3i1p s ASP 154 CO 0.00 -0.01 3.07 1.21 0.68 0.00 0.00 175.17 180.12 3i1p n GLU 155 N 0.84 1.95 0.02 2.11 2.13 -1.26 -2.24 120.64 124.19 3i1p n GLU 155 Ca 0.01 -1.04 0.00 0.00 0.66 0.00 0.00 57.16 56.79 3i1p n GLU 155 Cb 0.49 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.14 3i1p n GLU 155 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3i1p n ASN 156 N 2.79 0.04 0.11 4.31 5.15 -1.26 -4.51 115.26 121.88 3i1p n ASN 156 Ca 0.42 0.07 -0.03 0.00 -0.60 0.00 0.00 54.58 54.44 3i1p n ASN 156 Cb 0.68 0.03 0.03 0.00 -0.53 0.00 0.00 39.78 39.99 3i1p n ASN 156 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 3i1p h LEU 157 N 0.00 0.00 -1.59 1.20 8.10 -1.67 -2.87 115.31 118.49 3i1p h LEU 157 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 3i1p h LEU 157 Cb 0.27 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.48 3i1p h LEU 157 CO 0.00 0.76 0.17 0.15 -4.11 0.00 0.00 178.44 175.41 3i1p h PHE 158 N 0.00 0.43 0.00 0.17 3.04 -1.74 0.12 116.94 118.96 3i1p h PHE 158 Ca -0.01 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 3i1p h PHE 158 Cb 1.42 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.79 3i1p h PHE 158 CO 0.00 0.31 0.00 -0.11 -2.02 0.00 0.00 178.31 176.49 3i1p n LEU 159 N -4.44 0.00 0.00 0.59 7.94 -1.13 -4.64 117.00 115.31 3i1p n LEU 159 Ca 0.02 0.28 -0.17 0.00 -1.11 0.00 0.00 56.01 55.03 3i1p n LEU 159 Cb 0.10 -0.28 -0.02 0.00 0.53 0.00 0.00 43.42 43.76 3i1p n LEU 159 CO 0.36 -0.05 -0.04 0.00 -1.11 0.00 0.00 177.39 176.55 3i1p n ALA 160 N -1.28 0.39 -0.77 1.96 0.00 0.41 -4.69 120.51 116.53 3i1p n ALA 160 Ca 0.12 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.23 3i1p n ALA 160 Cb 0.20 0.63 0.00 0.00 0.00 0.00 0.00 19.45 20.28 3i1p n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 161 N -2.20 0.00 -0.49 0.00 0.00 -1.26 -4.83 120.51 111.73 3i1p n ALA 161 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3i1p n ALA 161 Cb 0.38 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3i1p n ALA 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1p n ARG 162 N -0.83 0.00 0.00 0.00 1.74 -1.26 -3.82 116.66 112.49 3i1p n ARG 162 Ca 0.00 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 3i1p n ARG 162 Cb 0.21 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3i1p n ARG 162 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i1p n ASN 163 N -1.26 0.00 -4.59 0.55 5.03 -1.26 -4.38 115.26 109.35 3i1p n ASN 163 Ca 0.00 0.08 -0.41 0.00 0.87 0.00 0.00 54.58 55.12 3i1p n ASN 163 Cb 0.00 -0.08 -0.08 0.00 -1.02 0.00 0.00 39.78 38.61 3i1p n ASN 163 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3i1p s LEU 164 N -2.08 4.20 0.00 3.41 1.98 -1.25 -5.02 118.68 119.91 3i1p s LEU 164 Ca 0.00 0.23 0.00 0.00 -2.89 0.00 0.00 54.13 51.47 3i1p s LEU 164 Cb 0.00 -2.63 0.00 0.00 0.66 0.00 0.00 46.19 44.22 3i1p s LEU 164 CO 0.00 -0.40 0.36 1.41 -1.89 0.00 0.00 176.35 175.83 3i1p n HIS 165 N 5.68 0.00 0.19 5.38 8.25 -1.26 -3.52 115.22 129.94 3i1p n HIS 165 Ca -0.04 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.43 3i1p n HIS 165 Cb 0.49 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.66 3i1p n HIS 165 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i1p n LYS 166 N -0.44 0.09 -4.90 -0.41 4.01 -1.26 -4.49 118.16 110.76 3i1p n LYS 166 Ca 0.00 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.54 3i1p n LYS 166 Cb 0.00 -1.34 -0.16 0.00 -0.51 0.00 0.00 35.03 33.03 3i1p n LYS 166 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3i1p s VAL 167 N -2.00 1.48 0.37 -0.18 0.11 -1.23 -0.37 120.40 118.58 3i1p s VAL 167 Ca 0.03 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.32 3i1p s VAL 167 Cb 0.01 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 3i1p s VAL 167 CO 0.02 0.42 0.09 -0.62 -3.33 0.00 0.00 175.10 171.69 3i1p s ASP 168 N -0.39 2.59 -0.62 3.54 2.15 -1.20 -4.63 116.67 118.12 3i1p s ASP 168 Ca 0.06 -1.54 0.04 0.00 0.43 0.00 0.00 52.55 51.55 3i1p s ASP 168 Cb -0.08 0.25 0.15 0.00 -0.30 0.00 0.00 42.92 42.94 3i1p s ASP 168 CO -0.00 -0.79 0.39 0.68 -0.17 0.00 0.00 175.17 175.28 3i1p s VAL 169 N -3.26 2.80 0.39 1.11 -7.23 -1.26 -4.33 120.40 108.62 3i1p s VAL 169 Ca 0.29 -3.79 0.06 0.00 -1.81 0.00 0.00 61.98 56.73 3i1p s VAL 169 Cb 0.05 -2.88 -0.07 0.00 0.56 0.00 0.00 36.38 34.04 3i1p s VAL 169 CO 0.14 -0.91 0.03 -0.13 -0.31 0.00 0.00 175.10 173.92 3i1p s ARG 170 N -0.87 1.87 0.00 4.82 0.52 -1.20 -5.03 118.95 119.06 3i1p s ARG 170 Ca 0.21 -2.06 0.00 0.00 -0.52 0.00 0.00 55.73 53.36 3i1p s ARG 170 Cb -0.15 -1.38 0.00 0.00 0.52 0.00 0.00 34.95 33.94 3i1p s ARG 170 CO -0.08 -0.11 0.00 -0.40 0.02 0.00 0.00 175.30 174.73 3i1p n ASP 171 N -0.89 0.00 0.34 0.23 5.68 -1.26 -3.44 116.55 117.21 3i1p n ASP 171 Ca -0.05 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.11 3i1p n ASP 171 Cb 0.67 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.58 3i1p n ASP 171 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i1p h ALA 172 N 1.08 -1.01 -1.10 2.12 0.00 -1.81 -3.35 119.26 115.18 3i1p h ALA 172 Ca 0.00 -0.20 -0.51 0.00 0.00 0.00 0.00 54.91 54.21 3i1p h ALA 172 Cb 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 3i1p h ALA 172 CO 0.00 -0.94 1.22 0.95 0.00 0.00 0.00 179.25 180.48 3i1p s THR 173 N -4.61 3.72 0.00 0.00 -4.23 -1.26 -2.89 115.64 106.37 3i1p s THR 173 Ca -0.13 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 3i1p s THR 173 Cb 0.01 -4.69 0.00 0.00 1.34 0.00 0.00 72.50 69.17 3i1p s THR 173 CO 0.39 -1.60 0.00 0.61 -0.54 0.00 0.00 174.62 173.48 3i1p n GLY 174 N 6.49 0.00 3.63 3.99 0.00 -1.26 -5.11 105.19 112.93 3i1p n GLY 174 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 3i1p n GLY 174 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1p s ILE 175 N 0.00 3.98 -0.28 -0.61 1.10 -1.14 -4.60 121.20 119.64 3i1p s ILE 175 Ca 0.00 1.10 0.02 0.00 -0.51 0.00 0.00 60.65 61.26 3i1p s ILE 175 Cb 0.00 -4.00 0.07 0.00 0.15 0.00 0.00 42.46 38.68 3i1p s ILE 175 CO 0.00 -0.42 -0.06 -1.81 -2.11 0.00 0.00 174.94 170.55 3i1p s ASP 176 N 3.33 4.60 0.53 4.50 1.01 -1.26 -4.99 116.67 124.39 3i1p s ASP 176 Ca 0.62 -1.53 0.21 0.00 0.71 0.00 0.00 52.55 52.55 3i1p s ASP 176 Cb -0.20 -1.60 1.13 0.00 1.01 0.00 0.00 42.92 43.27 3i1p s ASP 176 CO 0.25 -0.25 1.59 -0.65 0.21 0.00 0.00 175.17 176.33 3i1p h PRO 177 N 7.78 0.00 0.17 8.23 0.11 -1.96 -2.69 132.00 143.65 3i1p h PRO 177 Ca -0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 3i1p h PRO 177 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3i1p h PRO 177 CO 0.49 0.00 -0.08 -0.24 -0.21 0.00 0.00 178.00 177.96 3i1p h VAL 178 N 0.00 0.86 -0.31 3.15 3.04 -1.95 -3.33 116.25 117.71 3i1p h VAL 178 Ca 0.00 -1.07 -0.08 0.00 -1.01 0.00 0.00 66.70 64.54 3i1p h VAL 178 Cb 0.76 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 31.44 3i1p h VAL 178 CO 0.00 0.21 -0.13 0.77 -1.01 0.00 0.00 177.57 177.41 3i1p h SER 179 N -0.83 0.51 -0.81 3.17 4.64 -1.89 -2.93 113.55 115.42 3i1p h SER 179 Ca -0.02 -0.14 0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3i1p h SER 179 Cb 0.52 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 3i1p h SER 179 CO 0.04 0.68 0.52 -0.07 -0.87 0.00 0.00 176.83 177.12 3i1p h LEU 180 N 0.49 0.86 -2.78 5.97 3.38 -1.67 -0.30 115.31 121.26 3i1p h LEU 180 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i1p h LEU 180 Cb 0.52 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3i1p h LEU 180 CO 0.03 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.15 3i1p n ILE 181 N -4.58 1.33 -0.01 1.22 0.13 -1.22 -4.02 119.36 112.20 3i1p n ILE 181 Ca 0.10 -1.03 0.07 0.00 -1.10 0.00 0.00 62.75 60.78 3i1p n ILE 181 Cb 0.09 0.30 -0.11 0.00 -0.84 0.00 0.00 39.64 39.07 3i1p n ILE 181 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i1p n ALA 182 N 1.34 2.51 -2.78 1.51 0.00 -0.27 -4.98 120.51 117.83 3i1p n ALA 182 Ca 0.24 -0.37 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 3i1p n ALA 182 Cb 0.72 -0.48 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 3i1p n ALA 182 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i1p s PHE 183 N -2.99 3.09 -0.00 0.00 0.40 -0.32 -5.01 117.98 113.16 3i1p s PHE 183 Ca -0.05 -0.01 0.29 0.00 -0.60 0.00 0.00 56.93 56.56 3i1p s PHE 183 Cb 0.09 -1.87 1.06 0.00 0.51 0.00 0.00 43.02 42.81 3i1p s PHE 183 CO 0.60 0.24 1.87 0.22 0.70 0.00 0.00 175.22 178.86 3i1p h ASP 184 N 5.87 0.00 -2.19 1.36 1.82 -1.86 -3.40 116.42 118.01 3i1p h ASP 184 Ca -0.42 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 55.86 3i1p h ASP 184 Cb 1.19 0.00 -0.34 0.00 0.68 0.00 0.00 39.33 40.86 3i1p h ASP 184 CO 0.59 0.05 -0.66 -0.54 -1.61 0.00 0.00 179.24 177.07 3i1p s LYS 185 N -3.56 0.34 0.22 0.28 1.02 -0.82 -4.88 119.74 112.34 3i1p s LYS 185 Ca 0.02 -0.26 -0.19 0.00 0.02 0.00 0.00 55.97 55.56 3i1p s LYS 185 Cb 0.08 -0.72 -0.08 0.00 -0.52 0.00 0.00 37.83 36.60 3i1p s LYS 185 CO 0.59 -1.05 0.71 0.54 -0.92 0.00 0.00 175.35 175.22 3i1p s VAL 186 N 2.23 4.59 0.00 3.17 0.11 -1.23 -2.48 120.40 126.80 3i1p s VAL 186 Ca 0.10 1.25 0.00 0.00 -2.93 0.00 0.00 61.98 60.40 3i1p s VAL 186 Cb -0.14 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 3i1p s VAL 186 CO -0.30 0.21 0.01 0.52 -3.33 0.00 0.00 175.10 172.21 3i1p n VAL 187 N 0.73 0.00 -1.76 2.04 0.31 -1.26 -3.84 118.33 114.54 3i1p n VAL 187 Ca -0.03 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3i1p n VAL 187 Cb 0.51 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 3i1p n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3i1p n MET 188 N -0.06 -4.39 -3.02 5.55 0.00 -1.14 -4.13 117.12 109.92 3i1p n MET 188 Ca 0.00 3.22 -0.20 0.00 0.00 0.00 0.00 57.70 60.73 3i1p n MET 188 Cb 0.00 -3.40 0.05 0.00 0.00 0.00 0.00 33.22 29.88 3i1p n MET 188 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3i1p n THR 189 N 1.50 0.00 -0.12 1.12 -2.24 0.06 -3.67 114.28 110.92 3i1p n THR 189 Ca 0.00 -1.89 -0.04 0.00 -2.27 0.00 0.00 64.05 59.85 3i1p n THR 189 Cb 0.00 -0.46 0.03 0.00 -2.10 0.00 0.00 70.33 67.80 3i1p n THR 189 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1p h ALA 190 N 0.22 0.36 -0.18 6.98 0.00 -1.37 -3.02 119.26 122.26 3i1p h ALA 190 Ca -0.27 0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3i1p h ALA 190 Cb 1.20 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 3i1p h ALA 190 CO 0.39 -0.40 -0.43 0.22 0.00 0.00 0.00 179.25 179.04 3i1p h ASP 191 N 0.09 -1.36 -0.79 0.00 -0.00 -1.86 -2.26 116.42 110.25 3i1p h ASP 191 Ca 0.20 0.18 0.15 0.00 -0.00 0.00 0.00 57.03 57.57 3i1p h ASP 191 Cb 0.29 0.56 -0.15 0.00 -0.00 0.00 0.00 39.33 40.03 3i1p h ASP 191 CO -0.34 -0.42 -0.22 0.00 -0.00 0.00 0.00 179.24 178.26 3i1p h ALA 192 N 0.14 0.46 -0.05 -0.78 0.00 -1.39 1.00 119.26 118.64 3i1p h ALA 192 Ca 0.08 0.30 0.02 0.00 0.00 0.00 0.00 54.91 55.31 3i1p h ALA 192 Cb 0.62 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3i1p h ALA 192 CO -0.43 -0.44 0.09 0.28 0.00 0.00 0.00 179.25 178.75 3i1p h VAL 193 N -0.01 0.32 0.41 0.00 2.07 -1.44 -2.20 116.25 115.39 3i1p h VAL 193 Ca 0.37 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.87 3i1p h VAL 193 Cb 0.58 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3i1p h VAL 193 CO -0.82 0.00 -0.20 0.11 0.02 0.00 0.00 177.57 176.69 3i1p h LYS 194 N 0.00 -0.53 -0.45 1.57 1.57 -0.79 -0.63 116.57 117.32 3i1p h LYS 194 Ca 0.03 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 3i1p h LYS 194 Cb 0.21 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3i1p h LYS 194 CO -0.00 -0.35 -0.08 1.96 -0.57 0.00 0.00 179.45 180.41 3i1p h GLN 195 N -0.97 0.84 0.00 3.15 7.50 -1.64 -2.41 115.11 121.58 3i1p h GLN 195 Ca -0.06 -0.31 0.00 0.00 0.50 0.00 0.00 58.65 58.79 3i1p h GLN 195 Cb 0.42 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.89 3i1p h GLN 195 CO 0.09 0.94 0.00 0.28 -1.50 0.00 0.00 178.83 178.64 3i1p n VAL 196 N -4.30 1.32 -0.04 -0.54 0.31 -0.83 0.13 118.33 114.39 3i1p n VAL 196 Ca -0.00 0.43 -0.08 0.00 -0.01 0.00 0.00 64.34 64.67 3i1p n VAL 196 Cb 0.36 -1.34 0.08 0.00 -0.91 0.00 0.00 33.84 32.03 3i1p n VAL 196 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3i1p h GLU 197 N 0.00 0.66 -0.00 5.55 4.57 -0.57 -3.26 114.58 121.52 3i1p h GLU 197 Ca 0.00 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 3i1p h GLU 197 Cb 0.14 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3i1p h GLU 197 CO 0.00 0.92 0.00 -1.91 -1.18 0.00 0.00 179.01 176.84 3i1p n GLU 198 N -4.05 -0.37 0.17 1.92 2.13 -0.52 -4.19 120.64 115.73 3i1p n GLU 198 Ca -0.01 -0.66 -0.10 0.00 0.66 0.00 0.00 57.16 57.04 3i1p n GLU 198 Cb 0.51 -1.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.16 3i1p n GLU 198 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 3i1p h MET 199 N 0.04 -0.49 -0.03 5.31 4.05 0.10 -2.70 114.93 121.23 3i1p h MET 199 Ca 0.00 0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.46 3i1p h MET 199 Cb 0.08 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.99 3i1p h MET 199 CO 0.00 -0.23 0.05 -0.07 0.23 0.00 0.00 176.91 176.88 3i1p h LEU 200 N -1.06 0.00 0.00 3.39 -0.00 -1.80 -3.50 115.31 112.34 3i1p h LEU 200 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 3i1p h LEU 200 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 3i1p h LEU 200 CO 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.52