#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n ILE 2 N 0.00 -0.36 -3.70 1.12 2.08 -1.26 -4.03 119.36 113.20 3i1p n ILE 2 Ca 0.00 1.88 -0.13 0.00 0.56 0.00 0.00 62.75 65.05 3i1p n ILE 2 Cb 0.00 -2.77 -0.13 0.00 -0.75 0.00 0.00 39.64 35.98 3i1p n ILE 2 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3i1p s ARG 3 N -5.76 0.16 0.01 0.38 0.52 -1.26 -5.12 118.95 107.88 3i1p s ARG 3 Ca -0.11 0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 55.40 3i1p s ARG 3 Cb 0.26 -0.11 -0.15 0.00 0.52 0.00 0.00 34.95 35.47 3i1p s ARG 3 CO 0.67 -0.22 0.79 0.39 0.02 0.00 0.00 175.30 176.95 3i1p n GLU 4 N 4.72 0.00 0.26 3.54 -0.58 -1.26 -4.74 120.64 122.58 3i1p n GLU 4 Ca -0.17 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.74 3i1p n GLU 4 Cb 0.51 -1.12 0.90 0.00 -0.57 0.00 0.00 31.44 31.16 3i1p n GLU 4 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3i1p h GLU 5 N 2.19 0.00 -0.97 3.49 4.11 -1.97 0.32 114.58 121.76 3i1p h GLU 5 Ca -0.38 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.18 3i1p h GLU 5 Cb 1.09 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 3i1p h GLU 5 CO 0.49 0.00 0.61 0.00 0.07 0.00 0.00 179.01 180.19 3i1p h ARG 6 N 0.00 0.87 0.00 1.06 3.08 -2.03 -0.13 114.38 117.23 3i1p h ARG 6 Ca 0.04 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 3i1p h ARG 6 Cb 0.24 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3i1p h ARG 6 CO -0.00 0.58 -0.73 1.25 -1.07 0.00 0.00 179.97 180.00 3i1p h LEU 7 N 0.90 0.00 0.00 3.04 6.46 -1.26 -3.30 115.31 121.15 3i1p h LEU 7 Ca 0.48 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.24 3i1p h LEU 7 Cb 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 3i1p h LEU 7 CO -0.25 0.63 0.00 0.18 -0.62 0.00 0.00 178.44 178.38 3i1p n LEU 8 N -3.22 0.00 -1.93 2.25 4.77 -0.06 -3.51 117.00 115.30 3i1p n LEU 8 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3i1p n LEU 8 Cb 0.80 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.83 3i1p n LEU 8 CO 0.42 0.00 1.36 2.29 -1.33 0.00 0.00 177.39 180.13 3i1p n LYS 9 N -0.67 1.76 -0.04 3.23 0.00 -1.22 -4.55 118.16 116.66 3i1p n LYS 9 Ca 0.03 -1.09 -0.02 0.00 -0.00 0.00 0.00 58.31 57.24 3i1p n LYS 9 Cb 0.01 -1.67 -0.01 0.00 -0.00 0.00 0.00 35.03 33.37 3i1p n LYS 9 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 3i1p h VAL 10 N 1.53 0.00 -2.08 0.58 -1.51 -1.91 -3.48 116.25 109.38 3i1p h VAL 10 Ca 0.20 -0.73 -0.58 0.00 -1.23 0.00 0.00 66.70 64.36 3i1p h VAL 10 Cb 1.10 0.00 0.21 0.00 -2.13 0.00 0.00 31.29 30.47 3i1p h VAL 10 CO 0.39 0.00 -1.42 0.18 -1.23 0.00 0.00 177.57 175.49 3i1p n LEU 11 N -4.01 -4.43 0.00 4.19 4.32 -1.26 -4.42 117.00 111.38 3i1p n LEU 11 Ca -0.02 0.44 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 3i1p n LEU 11 Cb 0.09 -0.83 0.00 0.00 -1.62 0.00 0.00 43.42 41.06 3i1p n LEU 11 CO 0.04 -5.24 -0.15 0.54 -1.22 0.00 0.00 177.39 171.35 3i1p n ARG 12 N 1.79 2.83 -3.50 3.23 3.00 -1.26 -4.93 116.66 117.82 3i1p n ARG 12 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.78 3i1p n ARG 12 Cb 0.51 -0.65 -0.02 0.00 0.00 0.00 0.00 32.46 32.30 3i1p n ARG 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1p s ALA 13 N -0.93 -1.73 0.00 7.54 0.00 -1.26 -5.01 121.76 120.37 3i1p s ALA 13 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3i1p s ALA 13 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.72 3i1p s ALA 13 CO 0.00 -0.74 0.00 -0.35 0.00 0.00 0.00 175.76 174.67 3i1p n PRO 14 N -0.31 0.00 0.00 0.00 -0.04 -1.26 -0.71 135.00 132.68 3i1p n PRO 14 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 3i1p n PRO 14 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 3i1p n PRO 14 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3i1p n HIS 15 N 0.00 0.00 -3.26 0.54 -0.00 -1.26 -3.67 115.22 107.56 3i1p n HIS 15 Ca 0.00 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.91 3i1p n HIS 15 Cb 0.00 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 29.90 3i1p n HIS 15 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3i1p n VAL 16 N 0.00 -6.51 -3.17 3.57 0.31 -1.26 -5.02 118.33 106.25 3i1p n VAL 16 Ca 0.00 0.40 0.02 0.00 -0.01 0.00 0.00 64.34 64.76 3i1p n VAL 16 Cb 0.00 -4.90 -0.01 0.00 -0.91 0.00 0.00 33.84 28.02 3i1p n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3i1p s SER 17 N -1.85 -1.37 0.00 4.52 0.01 -1.26 -5.05 113.70 108.69 3i1p s SER 17 Ca 0.32 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.70 3i1p s SER 17 Cb -0.05 1.92 0.00 0.00 0.21 0.00 0.00 66.02 68.10 3i1p s SER 17 CO 0.82 -0.31 0.00 -1.84 0.41 0.00 0.00 173.24 172.32 3i1p n GLU 18 N 5.41 0.00 -0.97 12.44 0.00 -1.26 -3.85 120.64 132.40 3i1p n GLU 18 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.90 3i1p n GLU 18 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.86 3i1p n GLU 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3i1p n LYS 19 N 10.20 0.04 0.00 3.44 4.76 -1.26 -1.13 118.16 134.21 3i1p n LYS 19 Ca 0.00 -1.29 0.00 0.00 -2.87 0.00 0.00 58.31 54.15 3i1p n LYS 19 Cb 0.00 -3.11 0.00 0.00 -1.84 0.00 0.00 35.03 30.08 3i1p n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1p n ALA 20 N 13.72 0.00 -1.68 7.82 0.00 -1.25 -4.94 120.51 134.18 3i1p n ALA 20 Ca 0.44 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.90 3i1p n ALA 20 Cb 0.44 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.93 3i1p n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i1p n SER 21 N 0.00 0.63 0.00 0.00 3.41 -0.29 -3.49 113.62 113.88 3i1p n SER 21 Ca 0.00 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 3i1p n SER 21 Cb 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3i1p n SER 21 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i1p n THR 22 N -0.38 0.00 -0.36 6.66 -2.24 -0.69 -4.58 114.28 112.71 3i1p n THR 22 Ca 0.04 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.89 3i1p n THR 22 Cb 0.67 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 69.14 3i1p n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1p h ALA 23 N 0.90 1.53 0.43 6.98 0.00 -1.95 0.55 119.26 127.70 3i1p h ALA 23 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3i1p h ALA 23 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3i1p h ALA 23 CO 0.00 0.24 -0.21 0.52 0.00 0.00 0.00 179.25 179.80 3i1p h MET 24 N 1.00 -0.56 -0.74 0.00 2.86 -1.87 -2.46 114.93 113.16 3i1p h MET 24 Ca 0.49 0.04 0.16 0.00 -2.06 0.00 0.00 59.70 58.32 3i1p h MET 24 Cb 0.46 0.13 -0.11 0.00 0.06 0.00 0.00 31.60 32.14 3i1p h MET 24 CO -0.25 -0.27 0.21 1.49 1.06 0.00 0.00 176.91 179.15 3i1p h GLU 25 N -1.02 0.30 -0.21 1.72 4.57 -1.37 0.58 114.58 119.14 3i1p h GLU 25 Ca -0.06 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3i1p h GLU 25 Cb 0.55 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 3i1p h GLU 25 CO 0.10 0.20 0.00 -0.22 -1.18 0.00 0.00 179.01 177.91 3i1p h LYS 26 N 0.31 0.07 0.35 1.92 3.64 0.08 -2.39 116.57 120.54 3i1p h LYS 26 Ca 0.42 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 3i1p h LYS 26 Cb 0.71 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3i1p h LYS 26 CO -0.49 0.05 -0.17 1.03 -2.27 0.00 0.00 179.45 177.60 3i1p h SER 27 N 0.07 -0.40 -5.94 4.20 0.87 -0.83 -3.49 113.55 108.05 3i1p h SER 27 Ca 0.10 -0.07 0.39 0.00 -1.23 0.00 0.00 61.79 60.97 3i1p h SER 27 Cb 0.12 0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 62.08 3i1p h SER 27 CO -0.16 -0.17 0.97 0.54 -0.53 0.00 0.00 176.83 177.48 3i1p s ASN 28 N -4.89 -0.00 0.36 6.23 4.22 0.19 -5.08 114.94 115.97 3i1p s ASN 28 Ca -0.15 -0.06 0.00 0.00 -2.14 0.00 0.00 52.86 50.51 3i1p s ASN 28 Cb 0.04 0.05 0.00 0.00 1.28 0.00 0.00 41.25 42.62 3i1p s ASN 28 CO 0.61 -0.10 0.00 1.07 -2.04 0.00 0.00 177.10 176.64 3i1p n THR 29 N -0.79 -1.80 -4.89 0.54 5.66 -1.26 -3.04 114.28 108.70 3i1p n THR 29 Ca 0.00 0.90 -0.28 0.00 -3.05 0.00 0.00 64.05 61.62 3i1p n THR 29 Cb 0.60 -1.48 -0.15 0.00 -1.55 0.00 0.00 70.33 67.75 3i1p n THR 29 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3i1p s ILE 30 N -4.82 1.88 0.03 1.09 1.10 -1.26 -3.51 121.20 115.71 3i1p s ILE 30 Ca 0.00 -1.20 -0.01 0.00 -0.51 0.00 0.00 60.65 58.93 3i1p s ILE 30 Cb 0.00 -1.60 -0.04 0.00 0.15 0.00 0.00 42.46 40.97 3i1p s ILE 30 CO 0.00 0.36 0.18 0.68 -2.11 0.00 0.00 174.94 174.05 3i1p s VAL 31 N -0.72 5.30 -0.06 4.00 -7.23 -1.23 -2.18 120.40 118.27 3i1p s VAL 31 Ca 0.09 -0.32 -0.31 0.00 -1.81 0.00 0.00 61.98 59.63 3i1p s VAL 31 Cb -0.09 -3.52 0.12 0.00 0.56 0.00 0.00 36.38 33.44 3i1p s VAL 31 CO 0.01 0.24 1.09 -1.48 -0.31 0.00 0.00 175.10 174.64 3i1p s LEU 32 N -2.19 -0.20 0.72 1.32 2.34 -1.25 -4.44 118.68 114.98 3i1p s LEU 32 Ca 0.30 -0.07 -0.16 0.00 0.06 0.00 0.00 54.13 54.26 3i1p s LEU 32 Cb -0.13 1.68 -0.05 0.00 -0.56 0.00 0.00 46.19 47.13 3i1p s LEU 32 CO 0.22 -0.45 0.39 1.17 -1.06 0.00 0.00 176.35 176.62 3i1p n LYS 33 N -0.24 0.24 0.00 1.48 3.00 0.11 -2.70 118.16 120.05 3i1p n LYS 33 Ca -0.05 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 3i1p n LYS 33 Cb 0.60 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.93 3i1p n LYS 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i1p n VAL 34 N -2.34 0.01 0.00 3.15 0.31 -1.23 -4.39 118.33 113.84 3i1p n VAL 34 Ca 0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3i1p n VAL 34 Cb 0.50 1.28 0.00 0.00 -0.91 0.00 0.00 33.84 34.71 3i1p n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1p n ALA 35 N -0.01 0.00 -0.01 3.52 0.00 -1.26 -4.01 120.51 118.75 3i1p n ALA 35 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3i1p n ALA 35 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 3i1p n ALA 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i1p h LYS 36 N 0.00 0.39 -0.86 0.00 3.64 -1.93 -3.26 116.57 114.55 3i1p h LYS 36 Ca 0.00 -0.40 0.09 0.00 -1.27 0.00 0.00 60.65 59.07 3i1p h LYS 36 Cb 0.00 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 3i1p h LYS 36 CO 0.00 1.07 0.51 -0.44 -2.27 0.00 0.00 179.45 178.31 3i1p h ASP 37 N -0.12 0.74 -1.82 4.20 3.45 -1.99 -3.48 116.42 117.41 3i1p h ASP 37 Ca -0.06 0.04 0.21 0.00 0.43 0.00 0.00 57.03 57.65 3i1p h ASP 37 Cb 1.24 -0.10 -0.06 0.00 -0.56 0.00 0.00 39.33 39.85 3i1p h ASP 37 CO 0.11 0.43 -0.32 0.00 -1.57 0.00 0.00 179.24 177.89 3i1p n ALA 38 N -2.37 -2.94 0.00 3.45 0.00 -1.23 -5.02 120.51 112.40 3i1p n ALA 38 Ca 0.14 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3i1p n ALA 38 Cb 0.27 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3i1p n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i1p n THR 39 N -2.63 0.00 0.00 0.00 5.66 -1.26 -4.97 114.28 111.08 3i1p n THR 39 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i1p n THR 39 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 3i1p n THR 39 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3i1p n LYS 40 N 0.00 0.00 0.00 1.09 4.81 -1.26 -4.51 118.16 118.30 3i1p n LYS 40 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 3i1p n LYS 40 Cb 0.00 -2.32 -0.11 0.00 0.02 0.00 0.00 35.03 32.62 3i1p n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1p n ALA 41 N 0.44 3.56 -0.36 3.14 0.00 -1.26 -4.13 120.51 121.91 3i1p n ALA 41 Ca 0.00 -0.51 0.07 0.00 0.00 0.00 0.00 53.44 52.99 3i1p n ALA 41 Cb 0.00 -0.81 0.20 0.00 0.00 0.00 0.00 19.45 18.83 3i1p n ALA 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i1p n GLU 42 N -1.96 2.93 -0.12 0.00 1.02 -1.26 -4.22 120.64 117.02 3i1p n GLU 42 Ca -0.00 -2.28 -0.18 0.00 -0.02 0.00 0.00 57.16 54.68 3i1p n GLU 42 Cb 0.46 -1.43 -0.11 0.00 -0.02 0.00 0.00 31.44 30.34 3i1p n GLU 42 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3i1p n ILE 43 N 0.45 1.42 0.07 -3.67 3.06 -1.26 -2.75 119.36 116.69 3i1p n ILE 43 Ca 0.15 -0.53 0.04 0.00 -2.50 0.00 0.00 62.75 59.90 3i1p n ILE 43 Cb 0.55 -1.40 0.44 0.00 0.54 0.00 0.00 39.64 39.76 3i1p n ILE 43 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3i1p h LYS 44 N -0.05 0.37 0.00 9.51 3.64 -1.79 -1.22 116.57 127.03 3i1p h LYS 44 Ca -0.56 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 3i1p h LYS 44 Cb 1.84 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.59 3i1p h LYS 44 CO -0.10 0.33 -0.16 0.00 -2.27 0.00 0.00 179.45 177.25 3i1p h ALA 45 N 1.73 0.91 0.00 5.00 0.00 -1.73 0.32 119.26 125.49 3i1p h ALA 45 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i1p h ALA 45 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i1p h ALA 45 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3i1p n ALA 46 N -2.00 2.61 -1.24 0.00 0.00 -0.48 -3.04 120.51 116.35 3i1p n ALA 46 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3i1p n ALA 46 Cb 0.50 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3i1p n ALA 46 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1p n VAL 47 N -0.97 0.00 -0.00 0.00 0.24 -1.04 -4.50 118.33 112.07 3i1p n VAL 47 Ca 0.21 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.40 3i1p n VAL 47 Cb 0.10 0.81 -0.09 0.00 -1.47 0.00 0.00 33.84 33.19 3i1p n VAL 47 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3i1p h GLN 48 N 0.00 -0.10 0.00 7.34 1.08 -0.28 -3.28 115.11 119.87 3i1p h GLN 48 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3i1p h GLN 48 Cb 1.04 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 3i1p h GLN 48 CO 0.00 0.47 0.00 1.63 -0.95 0.00 0.00 178.83 179.98 3i1p n LYS 49 N -4.82 0.00 -0.70 1.46 4.76 -1.25 -4.73 118.16 112.89 3i1p n LYS 49 Ca -0.08 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.03 3i1p n LYS 49 Cb 0.30 -0.33 0.16 0.00 -1.84 0.00 0.00 35.03 33.33 3i1p n LYS 49 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3i1p n LEU 50 N -0.75 -2.40 -3.93 -0.35 0.00 -1.26 -3.54 117.00 104.78 3i1p n LEU 50 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 56.01 55.62 3i1p n LEU 50 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 43.42 42.51 3i1p n LEU 50 CO 0.00 -3.02 -0.08 0.49 0.00 0.00 0.00 177.39 174.78 3i1p n PHE 51 N -4.35 -1.88 0.00 1.96 3.01 -1.26 -4.32 117.46 110.63 3i1p n PHE 51 Ca 0.00 0.82 0.00 0.00 1.01 0.00 0.00 57.45 59.28 3i1p n PHE 51 Cb 0.64 -3.83 0.00 0.00 -0.01 0.00 0.00 39.48 36.28 3i1p n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i1p n GLU 52 N -4.43 0.00 -0.55 -1.08 -0.58 -1.23 -4.56 120.64 108.21 3i1p n GLU 52 Ca -0.16 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.45 3i1p n GLU 52 Cb 0.62 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.58 3i1p n GLU 52 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3i1p n VAL 53 N 0.00 0.00 -3.60 2.62 0.24 -1.26 -4.73 118.33 111.61 3i1p n VAL 53 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3i1p n VAL 53 Cb 0.00 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.06 3i1p n VAL 53 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3i1p n GLU 54 N -2.68 0.42 -4.01 7.34 0.00 -1.24 -4.57 120.64 115.91 3i1p n GLU 54 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.14 3i1p n GLU 54 Cb 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.59 3i1p n GLU 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3i1p s VAL 55 N -1.39 0.17 0.00 3.84 0.11 -1.26 -4.49 120.40 117.38 3i1p s VAL 55 Ca 0.00 -1.38 0.00 0.00 -2.93 0.00 0.00 61.98 57.67 3i1p s VAL 55 Cb 0.00 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 3i1p s VAL 55 CO 0.00 -0.76 0.00 -0.62 -3.33 0.00 0.00 175.10 170.39 3i1p n GLU 56 N 0.62 0.00 -5.04 1.54 4.71 -1.26 -4.89 120.64 116.32 3i1p n GLU 56 Ca -0.18 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.66 3i1p n GLU 56 Cb 0.59 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.87 3i1p n GLU 56 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3i1p s VAL 57 N 0.00 2.46 0.51 2.62 0.11 -1.26 -5.03 120.40 119.80 3i1p s VAL 57 Ca 0.00 -1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 57.99 3i1p s VAL 57 Cb 0.00 -1.93 0.01 0.00 -1.53 0.00 0.00 36.38 32.93 3i1p s VAL 57 CO 0.00 0.52 0.75 0.54 -3.33 0.00 0.00 175.10 173.58 3i1p s VAL 58 N -0.72 3.60 -0.34 2.04 0.11 -1.25 -4.66 120.40 119.18 3i1p s VAL 58 Ca 0.11 -0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 58.74 3i1p s VAL 58 Cb -0.10 -3.36 0.13 0.00 -1.53 0.00 0.00 36.38 31.52 3i1p s VAL 58 CO 0.01 -0.28 0.20 0.20 -3.33 0.00 0.00 175.10 171.90 3i1p s ASN 59 N -4.29 2.98 0.65 3.54 0.01 -0.69 -5.04 114.94 112.09 3i1p s ASN 59 Ca 0.52 -1.92 -0.01 0.00 -0.71 0.00 0.00 52.86 50.73 3i1p s ASN 59 Cb -0.10 -0.32 0.05 0.00 0.41 0.00 0.00 41.25 41.29 3i1p s ASN 59 CO 0.40 -0.34 0.30 0.35 -1.51 0.00 0.00 177.10 176.30 3i1p n THR 60 N 4.35 0.00 0.00 1.60 -2.24 -1.08 -4.30 114.28 112.61 3i1p n THR 60 Ca 0.08 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3i1p n THR 60 Cb 0.39 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 3i1p n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1p n LEU 61 N 0.00 0.00 -4.95 3.22 -0.00 -1.24 -4.98 117.00 109.05 3i1p n LEU 61 Ca 0.05 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.80 3i1p n LEU 61 Cb 0.16 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.66 3i1p n LEU 61 CO 0.11 0.00 0.60 -0.69 -0.00 0.00 0.00 177.39 177.41 3i1p s VAL 62 N -0.89 2.27 0.08 1.47 1.01 -1.26 -0.83 120.40 122.25 3i1p s VAL 62 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 3i1p s VAL 62 Cb 0.00 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3i1p s VAL 62 CO 0.00 0.00 0.15 0.68 0.00 0.00 0.00 175.10 175.93 3i1p s VAL 63 N -3.24 0.16 -0.10 2.92 -7.23 -0.39 -4.83 120.40 107.68 3i1p s VAL 63 Ca 0.62 -1.30 -0.00 0.00 -1.81 0.00 0.00 61.98 59.49 3i1p s VAL 63 Cb -0.09 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 3i1p s VAL 63 CO 0.45 -0.72 -0.09 -0.54 -0.31 0.00 0.00 175.10 173.89 3i1p s LYS 64 N -3.87 3.10 0.23 4.82 3.01 -1.26 -3.04 119.74 122.73 3i1p s LYS 64 Ca 0.05 -0.59 -0.30 0.00 -1.01 0.00 0.00 55.97 54.12 3i1p s LYS 64 Cb 0.05 -2.65 -0.09 0.00 -1.01 0.00 0.00 37.83 34.14 3i1p s LYS 64 CO -0.11 0.44 0.98 0.20 0.51 0.00 0.00 175.35 177.37 3i1p s GLY 65 N -0.22 3.09 1.02 -3.33 0.00 -1.19 -4.99 107.32 101.69 3i1p s GLY 65 Ca 0.02 0.67 -0.12 0.00 0.00 0.00 0.00 44.72 45.29 3i1p s GLY 65 CO 0.03 1.29 1.08 0.54 0.00 0.00 0.00 173.10 176.04 3i1p s LYS 66 N -1.07 0.29 0.01 2.90 1.02 -1.26 -4.68 119.74 116.95 3i1p s LYS 66 Ca 0.43 0.70 0.03 0.00 0.02 0.00 0.00 55.97 57.15 3i1p s LYS 66 Cb -0.27 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 3i1p s LYS 66 CO 0.33 -2.88 -0.08 0.54 -0.92 0.00 0.00 175.35 172.35 3i1p s VAL 67 N -2.82 0.64 0.00 3.17 0.11 -1.26 -3.58 120.40 116.66 3i1p s VAL 67 Ca 0.66 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 3i1p s VAL 67 Cb -0.20 -0.58 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3i1p s VAL 67 CO 0.59 0.02 0.00 0.29 -3.33 0.00 0.00 175.10 172.67 3i1p n LYS 68 N 2.45 0.00 -1.15 1.54 5.02 -1.19 -5.07 118.16 119.76 3i1p n LYS 68 Ca -0.16 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.27 3i1p n LYS 68 Cb 0.56 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.50 3i1p n LYS 68 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3i1p n ARG 69 N 0.00 -2.65 -0.26 1.97 3.00 -1.26 -2.98 116.66 114.49 3i1p n ARG 69 Ca 0.00 2.14 0.03 0.00 -0.00 0.00 0.00 57.85 60.03 3i1p n ARG 69 Cb 0.00 -3.10 -0.01 0.00 0.00 0.00 0.00 32.46 29.35 3i1p n ARG 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i1p n HIS 70 N -3.88 -2.12 0.00 -0.14 8.25 -1.26 -4.46 115.22 111.61 3i1p n HIS 70 Ca -0.07 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 3i1p n HIS 70 Cb 0.55 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3i1p n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i1p n GLY 71 N -0.78 0.78 0.23 -1.41 0.00 -1.26 -4.86 105.19 97.90 3i1p n GLY 71 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.10 3i1p n GLY 71 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3i1p h GLN 72 N 0.00 0.00 0.00 1.61 7.50 -2.03 -3.42 115.11 118.77 3i1p h GLN 72 Ca 0.00 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 58.91 3i1p h GLN 72 Cb 0.00 0.00 0.05 0.00 0.05 0.00 0.00 27.48 27.58 3i1p h GLN 72 CO 0.00 0.21 0.08 0.54 -1.50 0.00 0.00 178.83 178.15 3i1p n ARG 73 N -3.75 0.15 -3.82 1.46 5.12 -1.26 -5.13 116.66 109.43 3i1p n ARG 73 Ca -0.02 -1.38 -0.03 0.00 -1.93 0.00 0.00 57.85 54.49 3i1p n ARG 73 Cb 0.32 -0.38 0.00 0.00 -1.16 0.00 0.00 32.46 31.24 3i1p n ARG 73 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3i1p s ILE 74 N -1.59 0.00 0.06 0.55 1.10 -1.26 -4.58 121.20 115.48 3i1p s ILE 74 Ca 0.35 -0.62 -0.28 0.00 -0.51 0.00 0.00 60.65 59.59 3i1p s ILE 74 Cb -0.02 -2.49 0.09 0.00 0.15 0.00 0.00 42.46 40.20 3i1p s ILE 74 CO 0.23 0.00 1.10 -0.83 -2.11 0.00 0.00 174.94 173.33 3i1p s GLY 75 N -3.19 -0.32 0.08 1.50 0.00 -1.16 -4.93 107.32 99.30 3i1p s GLY 75 Ca 0.17 0.46 -0.03 0.00 0.00 0.00 0.00 44.72 45.33 3i1p s GLY 75 CO 0.04 0.09 0.05 -1.60 0.00 0.00 0.00 173.10 171.68 3i1p s ARG 76 N -2.89 0.76 0.63 2.90 3.52 -1.26 -3.14 118.95 119.46 3i1p s ARG 76 Ca 0.13 -1.21 -0.04 0.00 -0.13 0.00 0.00 55.73 54.47 3i1p s ARG 76 Cb 0.01 0.25 0.13 0.00 -1.56 0.00 0.00 34.95 33.79 3i1p s ARG 76 CO -0.01 -0.19 0.86 0.54 -0.81 0.00 0.00 175.30 175.69 3i1p n ARG 77 N 0.01 -0.29 -2.88 5.12 1.74 -1.23 -5.07 116.66 114.06 3i1p n ARG 77 Ca -0.12 -1.96 -0.19 0.00 -0.77 0.00 0.00 57.85 54.81 3i1p n ARG 77 Cb 0.62 -0.69 0.03 0.00 -1.02 0.00 0.00 32.46 31.40 3i1p n ARG 77 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i1p s SER 78 N -4.37 5.42 -0.13 0.55 0.15 -1.26 -4.69 113.70 109.36 3i1p s SER 78 Ca 0.54 -0.33 -0.17 0.00 0.70 0.00 0.00 55.95 56.69 3i1p s SER 78 Cb -0.02 -0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 63.64 3i1p s SER 78 CO 0.36 -0.99 0.41 -1.81 1.20 0.00 0.00 173.24 172.42 3i1p s ASP 79 N -4.42 6.59 0.33 5.45 1.01 -1.26 -3.15 116.67 121.22 3i1p s ASP 79 Ca 0.57 0.70 0.10 0.00 0.71 0.00 0.00 52.55 54.63 3i1p s ASP 79 Cb -0.09 -2.25 -0.06 0.00 1.01 0.00 0.00 42.92 41.53 3i1p s ASP 79 CO 0.36 0.03 -0.07 -1.66 0.21 0.00 0.00 175.17 174.04 3i1p s TRP 80 N 0.59 2.45 0.01 4.23 1.48 -1.17 -4.97 118.94 121.56 3i1p s TRP 80 Ca 0.23 -0.44 0.04 0.00 -1.06 0.00 0.00 56.10 54.86 3i1p s TRP 80 Cb -0.14 -1.35 -0.03 0.00 -1.16 0.00 0.00 33.47 30.78 3i1p s TRP 80 CO 0.08 0.57 -0.07 0.21 -4.06 0.00 0.00 176.95 173.68 3i1p s LYS 81 N -3.63 2.51 0.51 3.25 2.20 -1.26 -1.26 119.74 122.04 3i1p s LYS 81 Ca 0.33 -0.76 0.08 0.00 -0.36 0.00 0.00 55.97 55.26 3i1p s LYS 81 Cb 0.00 -2.48 0.04 0.00 -1.51 0.00 0.00 37.83 33.88 3i1p s LYS 81 CO 0.17 0.59 0.56 0.15 -0.36 0.00 0.00 175.35 176.47 3i1p s LYS 82 N -1.50 2.43 0.00 4.03 1.02 -0.01 -3.52 119.74 122.20 3i1p s LYS 82 Ca 0.18 -1.65 -0.00 0.00 0.02 0.00 0.00 55.97 54.51 3i1p s LYS 82 Cb -0.11 -2.46 -0.00 0.00 -0.52 0.00 0.00 37.83 34.73 3i1p s LYS 82 CO 0.08 -0.55 -0.00 0.00 -0.92 0.00 0.00 175.35 173.96 3i1p n ALA 83 N -1.90 2.61 -2.71 5.17 0.00 -1.10 -3.69 120.51 118.90 3i1p n ALA 83 Ca 0.07 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 3i1p n ALA 83 Cb 0.62 0.02 0.01 0.00 0.00 0.00 0.00 19.45 20.09 3i1p n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i1p n TYR 84 N -2.58 -3.17 0.03 0.00 4.02 -1.25 -2.63 117.16 111.57 3i1p n TYR 84 Ca -0.00 1.28 -0.12 0.00 -0.01 0.00 0.00 57.90 59.05 3i1p n TYR 84 Cb 0.01 -3.84 -0.06 0.00 -0.02 0.00 0.00 39.34 35.42 3i1p n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3i1p h VAL 85 N 1.84 1.01 -3.42 -0.72 2.07 -1.76 -1.83 116.25 113.43 3i1p h VAL 85 Ca 0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3i1p h VAL 85 Cb 0.86 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3i1p h VAL 85 CO 0.18 0.01 -0.04 0.35 0.02 0.00 0.00 177.57 178.09 3i1p n THR 86 N -5.07 -2.57 -1.56 2.57 -2.24 -1.26 -3.92 114.28 100.23 3i1p n THR 86 Ca -0.06 -0.09 -0.39 0.00 -2.27 0.00 0.00 64.05 61.23 3i1p n THR 86 Cb 0.03 -3.99 0.03 0.00 -2.10 0.00 0.00 70.33 64.31 3i1p n THR 86 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3i1p n LEU 87 N -1.30 2.24 0.00 3.22 0.00 -1.26 -4.40 117.00 115.50 3i1p n LEU 87 Ca -0.00 0.85 0.00 0.00 0.00 0.00 0.00 56.01 56.86 3i1p n LEU 87 Cb 0.51 -1.29 0.00 0.00 0.00 0.00 0.00 43.42 42.63 3i1p n LEU 87 CO 0.10 -2.19 0.00 0.29 0.00 0.00 0.00 177.39 175.58 3i1p n LYS 88 N -0.29 0.00 0.05 1.96 5.02 -1.26 -4.71 118.16 118.93 3i1p n LYS 88 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3i1p n LYS 88 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 3i1p n LYS 88 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i1p n GLU 89 N 0.00 0.00 -2.10 1.97 1.02 -1.26 -4.98 120.64 115.29 3i1p n GLU 89 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 3i1p n GLU 89 Cb 0.00 -0.08 -0.06 0.00 -0.02 0.00 0.00 31.44 31.28 3i1p n GLU 89 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i1p s GLY 90 N -4.94 0.25 -0.10 0.62 0.00 -1.26 -4.92 107.32 96.97 3i1p s GLY 90 Ca 0.00 -2.13 -0.36 0.00 0.00 0.00 0.00 44.72 42.23 3i1p s GLY 90 CO 0.00 3.50 1.76 -1.06 0.00 0.00 0.00 173.10 177.30 3i1p n GLN 91 N 8.35 1.80 0.00 2.90 1.13 -1.26 -4.88 117.38 125.42 3i1p n GLN 91 Ca 0.44 0.66 0.00 0.00 -1.94 0.00 0.00 57.00 56.16 3i1p n GLN 91 Cb 0.47 -2.43 0.00 0.00 0.11 0.00 0.00 30.24 28.39 3i1p n GLN 91 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3i1p n ASN 92 N 5.55 0.00 0.00 1.08 3.02 -1.26 -5.22 115.26 118.43 3i1p n ASN 92 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 3i1p n ASN 92 Cb 0.24 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 3i1p n ASN 92 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82