#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n LYS 2 N 0.00 0.00 0.01 3.17 5.02 -1.26 -5.00 118.16 120.11 3i1p n LYS 2 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 3i1p n LYS 2 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 3i1p n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1p n ALA 3 N -3.00 3.38 0.30 7.82 0.00 -1.26 -4.09 120.51 123.66 3i1p n ALA 3 Ca 0.00 -0.48 0.19 0.00 0.00 0.00 0.00 53.44 53.14 3i1p n ALA 3 Cb 0.00 -0.84 1.02 0.00 0.00 0.00 0.00 19.45 19.62 3i1p n ALA 3 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i1p h LYS 4 N 0.00 0.00 -2.32 0.00 6.56 -2.05 -2.58 116.57 116.18 3i1p h LYS 4 Ca 0.00 0.00 -0.76 0.00 -1.06 0.00 0.00 60.65 58.83 3i1p h LYS 4 Cb 0.82 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 32.26 3i1p h LYS 4 CO 0.00 0.00 1.45 0.39 -2.06 0.00 0.00 179.45 179.23 3i1p n GLU 5 N -3.47 4.64 -3.68 3.15 -0.58 -1.26 -4.90 120.64 114.55 3i1p n GLU 5 Ca -0.02 -3.96 -0.11 0.00 -0.42 0.00 0.00 57.16 52.65 3i1p n GLU 5 Cb 0.14 -2.48 -0.11 0.00 -0.57 0.00 0.00 31.44 28.42 3i1p n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3i1p s LEU 6 N -3.41 -0.28 -0.92 -4.62 1.43 -0.97 -4.95 118.68 104.95 3i1p s LEU 6 Ca 0.47 0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 54.31 3i1p s LEU 6 Cb 0.23 1.04 0.00 0.00 0.03 0.00 0.00 46.19 47.50 3i1p s LEU 6 CO -0.16 -0.22 0.79 -1.14 0.23 0.00 0.00 176.35 175.86 3i1p n ARG 7 N 5.00 -5.30 -3.27 1.70 0.63 -1.26 -4.98 116.66 109.18 3i1p n ARG 7 Ca -0.13 0.60 -0.27 0.00 -0.92 0.00 0.00 57.85 57.14 3i1p n ARG 7 Cb 0.51 -4.92 -0.07 0.00 0.45 0.00 0.00 32.46 28.43 3i1p n ARG 7 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3i1p n GLU 8 N -3.52 2.58 -2.48 -0.14 0.00 -1.26 -5.00 120.64 110.82 3i1p n GLU 8 Ca -0.09 -4.61 -0.02 0.00 0.00 0.00 0.00 57.16 52.44 3i1p n GLU 8 Cb 0.58 -2.18 -0.01 0.00 0.00 0.00 0.00 31.44 29.82 3i1p n GLU 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3i1p n LYS 9 N 0.57 -3.47 -0.02 3.44 3.00 -1.26 -4.47 118.16 115.96 3i1p n LYS 9 Ca 0.30 2.59 0.17 0.00 -0.00 0.00 0.00 58.31 61.37 3i1p n LYS 9 Cb 0.42 -3.44 0.63 0.00 0.00 0.00 0.00 35.03 32.64 3i1p n LYS 9 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3i1p h SER 10 N 4.33 0.11 0.10 3.14 0.87 -2.02 0.27 113.55 120.36 3i1p h SER 10 Ca -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3i1p h SER 10 Cb 0.40 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3i1p h SER 10 CO 0.00 0.06 0.00 0.52 -0.53 0.00 0.00 176.83 176.89 3i1p n VAL 11 N -4.42 1.02 -0.02 2.23 0.31 -1.26 -1.36 118.33 114.83 3i1p n VAL 11 Ca 0.09 0.25 -0.22 0.00 -0.01 0.00 0.00 64.34 64.46 3i1p n VAL 11 Cb 0.52 -1.17 -0.13 0.00 -0.91 0.00 0.00 33.84 32.14 3i1p n VAL 11 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i1p h GLU 12 N 0.00 0.21 -0.20 5.55 5.08 -0.67 -3.36 114.58 121.19 3i1p h GLU 12 Ca 0.00 -0.36 0.06 0.00 -1.00 0.00 0.00 59.36 58.06 3i1p h GLU 12 Cb 0.05 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3i1p h GLU 12 CO 0.00 1.17 0.35 0.93 -1.00 0.00 0.00 179.01 180.46 3i1p h GLU 13 N -0.21 0.00 -0.10 2.33 4.39 -1.29 0.09 114.58 119.80 3i1p h GLU 13 Ca -0.40 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.15 3i1p h GLU 13 Cb 1.85 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.51 3i1p h GLU 13 CO 0.02 0.00 -0.55 -0.07 -1.16 0.00 0.00 179.01 177.25 3i1p h LEU 14 N 0.00 0.65 -0.41 1.33 3.38 -1.70 -2.91 115.31 115.65 3i1p h LEU 14 Ca 0.09 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3i1p h LEU 14 Cb 0.80 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3i1p h LEU 14 CO -0.00 1.20 0.00 0.59 0.09 0.00 0.00 178.44 180.32 3i1p n ASN 15 N -4.20 0.52 -0.09 -0.43 5.03 -0.02 -2.87 115.26 113.21 3i1p n ASN 15 Ca -0.08 -2.01 -0.11 0.00 0.87 0.00 0.00 54.58 53.24 3i1p n ASN 15 Cb 0.63 -0.13 -0.04 0.00 -1.02 0.00 0.00 39.78 39.22 3i1p n ASN 15 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3i1p n THR 16 N -0.25 1.48 0.30 3.41 -1.04 -0.95 -4.18 114.28 113.05 3i1p n THR 16 Ca 0.02 0.09 0.19 0.00 -2.04 0.00 0.00 64.05 62.30 3i1p n THR 16 Cb 0.10 -2.28 0.84 0.00 -1.82 0.00 0.00 70.33 67.17 3i1p n THR 16 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3i1p h GLU 17 N -1.00 0.00 -0.48 -2.82 5.08 -1.64 0.15 114.58 113.87 3i1p h GLU 17 Ca -0.11 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.34 3i1p h GLU 17 Cb 0.94 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 3i1p h GLU 17 CO -0.07 0.00 0.33 1.25 -1.00 0.00 0.00 179.01 179.52 3i1p h LEU 18 N 0.00 0.21 -2.22 1.33 7.12 -1.72 -1.67 115.31 118.36 3i1p h LEU 18 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3i1p h LEU 18 Cb 0.34 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 3i1p h LEU 18 CO 0.00 0.13 0.00 0.18 -0.13 0.00 0.00 178.44 178.62 3i1p n LEU 19 N -4.46 2.99 -0.05 2.25 4.32 0.47 -3.69 117.00 118.83 3i1p n LEU 19 Ca 0.08 -1.47 -0.02 0.00 -0.02 0.00 0.00 56.01 54.58 3i1p n LEU 19 Cb 0.38 -0.18 -0.01 0.00 -1.62 0.00 0.00 43.42 42.00 3i1p n LEU 19 CO 0.35 0.65 -0.17 0.78 -1.22 0.00 0.00 177.39 177.77 3i1p h ASN 20 N 3.47 0.00 0.00 -1.43 4.21 -0.61 -3.36 115.58 117.86 3i1p h ASN 20 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3i1p h ASN 20 Cb 0.82 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.02 3i1p h ASN 20 CO 0.00 0.55 0.00 0.18 -1.29 0.00 0.00 177.43 176.87 3i1p n LEU 21 N -4.29 0.00 0.00 1.61 4.77 -1.14 -3.44 117.00 114.51 3i1p n LEU 21 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3i1p n LEU 21 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3i1p n LEU 21 CO 0.05 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 176.00 3i1p n LEU 22 N -0.82 0.00 0.12 2.23 7.94 -1.24 -3.19 117.00 122.03 3i1p n LEU 22 Ca 0.13 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.23 3i1p n LEU 22 Cb 0.06 0.00 0.75 0.00 0.53 0.00 0.00 43.42 44.76 3i1p n LEU 22 CO 0.10 -0.31 1.17 0.03 -1.11 0.00 0.00 177.39 177.27 3i1p h ARG 23 N 0.00 0.00 0.00 1.96 2.47 -1.87 1.15 114.38 118.09 3i1p h ARG 23 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3i1p h ARG 23 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3i1p h ARG 23 CO 0.00 0.00 0.00 0.39 0.56 0.00 0.00 179.97 180.92 3i1p n GLU 24 N -3.65 0.00 0.00 0.04 1.02 -1.26 -0.66 120.64 116.14 3i1p n GLU 24 Ca 0.06 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3i1p n GLU 24 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 3i1p n GLU 24 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3i1p n GLN 25 N -1.51 1.86 -0.01 3.49 7.27 0.41 -4.40 117.38 124.49 3i1p n GLN 25 Ca 0.05 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.99 3i1p n GLN 25 Cb 0.23 -0.79 -0.10 0.00 2.41 0.00 0.00 30.24 31.99 3i1p n GLN 25 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 3i1p h PHE 26 N 0.00 -0.05 0.00 3.69 3.04 0.12 0.62 116.94 124.37 3i1p h PHE 26 Ca 0.00 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 3i1p h PHE 26 Cb 0.58 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 3i1p h PHE 26 CO 0.00 0.55 -0.44 -0.91 -2.02 0.00 0.00 178.31 175.50 3i1p h ASN 27 N -0.69 0.00 -0.55 0.41 -0.26 -1.03 -2.60 115.58 110.86 3i1p h ASN 27 Ca -0.01 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 3i1p h ASN 27 Cb 0.62 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.85 3i1p h ASN 27 CO 0.01 0.44 0.14 0.25 -1.06 0.00 0.00 177.43 177.20 3i1p h LEU 28 N 0.00 0.86 -1.28 1.61 7.12 -1.42 -0.21 115.31 121.99 3i1p h LEU 28 Ca -0.00 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.84 3i1p h LEU 28 Cb 1.08 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.99 3i1p h LEU 28 CO 0.06 0.84 0.00 0.54 -0.13 0.00 0.00 178.44 179.75 3i1p n ARG 29 N -4.26 1.45 -0.11 1.25 1.74 0.21 -2.26 116.66 114.68 3i1p n ARG 29 Ca 0.04 -0.36 0.07 0.00 -0.77 0.00 0.00 57.85 56.83 3i1p n ARG 29 Cb 0.24 -1.58 0.10 0.00 -1.02 0.00 0.00 32.46 30.20 3i1p n ARG 29 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3i1p n MET 30 N 0.07 1.34 -0.00 5.56 1.56 -0.10 -4.57 117.12 120.98 3i1p n MET 30 Ca 0.03 -2.19 0.00 0.00 -0.27 0.00 0.00 57.70 55.27 3i1p n MET 30 Cb 0.35 -1.29 -0.00 0.00 2.15 0.00 0.00 33.22 34.43 3i1p n MET 30 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 3i1p n GLN 31 N -1.10 3.52 0.00 2.12 6.02 -0.96 -3.80 117.38 123.17 3i1p n GLN 31 Ca 0.11 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 3i1p n GLN 31 Cb 0.59 -0.76 0.00 0.00 1.02 0.00 0.00 30.24 31.09 3i1p n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i1p n ALA 32 N -1.26 1.74 0.00 -1.58 0.00 -1.25 -2.20 120.51 115.96 3i1p n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1p n ALA 32 Cb 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3i1p n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 33 N -0.33 2.01 0.53 0.00 0.00 -1.26 -4.83 120.51 116.62 3i1p n ALA 33 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3i1p n ALA 33 Cb 0.02 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.66 3i1p n ALA 33 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i1p n SER 34 N -2.10 0.00 -3.54 0.00 7.64 -1.18 -4.84 113.62 109.60 3i1p n SER 34 Ca 0.00 -0.33 -0.20 0.00 1.01 0.00 0.00 58.87 59.35 3i1p n SER 34 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 3i1p n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1p n GLY 35 N -0.41 -1.18 3.03 0.23 0.00 -0.93 -5.00 105.19 100.92 3i1p n GLY 35 Ca 0.05 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.43 3i1p n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i1p s GLN 36 N -4.74 0.55 0.22 1.61 -0.21 -1.17 -5.05 119.66 110.87 3i1p s GLN 36 Ca 0.17 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.01 3i1p s GLN 36 Cb -0.06 -0.44 0.00 0.00 1.00 0.00 0.00 33.01 33.51 3i1p s GLN 36 CO 0.84 0.10 0.00 1.28 -2.12 0.00 0.00 175.29 175.39 3i1p n LEU 37 N 2.12 -5.89 -0.50 2.90 4.77 -1.26 -4.78 117.00 114.35 3i1p n LEU 37 Ca -0.18 3.09 0.12 0.00 -0.03 0.00 0.00 56.01 59.01 3i1p n LEU 37 Cb 0.56 -3.02 0.08 0.00 -2.33 0.00 0.00 43.42 38.71 3i1p n LEU 37 CO 0.23 -1.53 0.40 0.00 -1.33 0.00 0.00 177.39 175.16 3i1p n GLN 38 N 1.64 1.27 -2.12 3.23 6.02 -1.26 -4.74 117.38 121.40 3i1p n GLN 38 Ca 0.00 -1.01 -0.29 0.00 -0.01 0.00 0.00 57.00 55.69 3i1p n GLN 38 Cb 0.00 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.73 3i1p n GLN 38 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i1p s GLN 39 N -2.43 2.70 0.36 -1.09 1.11 -1.26 -4.79 119.66 114.26 3i1p s GLN 39 Ca 0.21 -0.68 0.09 0.00 0.01 0.00 0.00 55.36 54.98 3i1p s GLN 39 Cb 0.19 -5.16 0.81 0.00 -1.01 0.00 0.00 33.01 27.84 3i1p s GLN 39 CO 0.53 -3.39 1.88 0.77 0.01 0.00 0.00 175.29 175.10 3i1p h SER 40 N 10.56 0.65 0.06 5.90 0.02 -1.99 0.59 113.55 129.33 3i1p h SER 40 Ca 0.15 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3i1p h SER 40 Cb 0.98 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3i1p h SER 40 CO 1.25 0.34 0.00 0.00 -1.14 0.00 0.00 176.83 177.27 3i1p n HIS 41 N -4.55 0.00 0.04 3.45 1.44 -1.26 -3.06 115.22 111.28 3i1p n HIS 41 Ca 0.17 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.75 3i1p n HIS 41 Cb 0.44 -0.25 -0.08 0.00 0.12 0.00 0.00 29.99 30.23 3i1p n HIS 41 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 3i1p h LEU 42 N 0.00 -0.02 -0.40 2.39 6.46 -1.21 0.51 115.31 123.04 3i1p h LEU 42 Ca 0.00 -0.09 0.08 0.00 -0.12 0.00 0.00 57.88 57.75 3i1p h LEU 42 Cb 0.03 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 39.88 3i1p h LEU 42 CO 0.00 0.08 -0.19 -0.07 -0.62 0.00 0.00 178.44 177.64 3i1p h LEU 43 N -0.12 -0.64 -0.43 2.25 -0.00 -1.77 -0.88 115.31 113.73 3i1p h LEU 43 Ca -0.00 0.15 0.08 0.00 -0.00 0.00 0.00 57.88 58.11 3i1p h LEU 43 Cb 0.11 0.35 -0.07 0.00 -0.00 0.00 0.00 40.66 41.06 3i1p h LEU 43 CO 0.00 -0.22 0.03 0.50 -0.00 0.00 0.00 178.44 178.76 3i1p h LYS 44 N -0.11 0.14 -7.35 1.13 1.63 -1.59 -3.40 116.57 107.02 3i1p h LYS 44 Ca 0.20 -0.01 -0.41 0.00 -0.85 0.00 0.00 60.65 59.58 3i1p h LYS 44 Cb 0.41 -0.03 0.20 0.00 -0.60 0.00 0.00 32.23 32.21 3i1p h LYS 44 CO -0.47 0.09 0.09 -0.65 -3.45 0.00 0.00 179.45 175.06 3i1p s GLN 45 N -6.17 -1.63 0.00 1.90 1.11 0.17 -3.32 119.66 111.72 3i1p s GLN 45 Ca -0.13 -0.10 0.00 0.00 0.01 0.00 0.00 55.36 55.13 3i1p s GLN 45 Cb 0.14 -1.55 0.00 0.00 -1.01 0.00 0.00 33.01 30.59 3i1p s GLN 45 CO 0.72 -3.98 0.00 0.28 0.01 0.00 0.00 175.29 172.32 3i1p n VAL 46 N -4.94 0.00 0.00 1.09 0.31 -1.26 -4.69 118.33 108.84 3i1p n VAL 46 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 3i1p n VAL 46 Cb 0.60 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 3i1p n VAL 46 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i1p n ARG 47 N 0.59 0.00 -0.30 5.55 0.63 -1.21 -4.66 116.66 117.26 3i1p n ARG 47 Ca 0.00 0.00 0.27 0.00 -0.92 0.00 0.00 57.85 57.20 3i1p n ARG 47 Cb 0.37 0.00 0.49 0.00 0.45 0.00 0.00 32.46 33.78 3i1p n ARG 47 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i1p n ARG 48 N -0.67 -0.06 0.21 -0.14 1.74 -1.23 0.23 116.66 116.74 3i1p n ARG 48 Ca 0.00 1.31 0.09 0.00 -0.77 0.00 0.00 57.85 58.47 3i1p n ARG 48 Cb 0.00 -2.29 0.37 0.00 -1.02 0.00 0.00 32.46 29.52 3i1p n ARG 48 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3i1p h ASP 49 N 0.00 0.00 0.96 0.55 3.32 -1.90 -1.81 116.42 117.54 3i1p h ASP 49 Ca 0.75 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.80 3i1p h ASP 49 Cb 1.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.46 3i1p h ASP 49 CO -0.75 0.27 0.00 0.58 -1.72 0.00 0.00 179.24 177.62 3i1p h VAL 50 N 0.00 0.00 0.00 -1.35 2.07 0.26 0.25 116.25 117.48 3i1p h VAL 50 Ca -0.00 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3i1p h VAL 50 Cb 0.86 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3i1p h VAL 50 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62 3i1p n ALA 51 N -2.04 2.07 -0.05 1.67 0.00 -0.68 -2.75 120.51 118.73 3i1p n ALA 51 Ca 0.01 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 3i1p n ALA 51 Cb 0.29 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.22 3i1p n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1p n ARG 52 N -1.60 0.71 0.00 0.00 1.74 0.77 -0.12 116.66 118.16 3i1p n ARG 52 Ca 0.05 0.21 0.02 0.00 -0.77 0.00 0.00 57.85 57.37 3i1p n ARG 52 Cb 0.28 -1.64 0.11 0.00 -1.02 0.00 0.00 32.46 30.20 3i1p n ARG 52 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i1p n VAL 53 N -3.35 0.78 -0.03 1.55 0.31 -0.56 -0.95 118.33 116.07 3i1p n VAL 53 Ca -0.36 0.20 -0.07 0.00 -0.01 0.00 0.00 64.34 64.09 3i1p n VAL 53 Cb 1.03 -1.12 -0.02 0.00 -0.91 0.00 0.00 33.84 32.81 3i1p n VAL 53 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i1p n LYS 54 N -1.23 0.18 0.27 5.55 5.02 -1.11 -4.28 118.16 122.56 3i1p n LYS 54 Ca 0.02 0.08 -0.16 0.00 -2.02 0.00 0.00 58.31 56.23 3i1p n LYS 54 Cb 0.03 -0.80 -0.08 0.00 -0.02 0.00 0.00 35.03 34.15 3i1p n LYS 54 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3i1p h THR 55 N -0.31 0.26 0.00 -0.18 2.02 -0.30 0.66 112.91 115.06 3i1p h THR 55 Ca -0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3i1p h THR 55 Cb 0.93 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3i1p h THR 55 CO -0.09 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.98 3i1p n LEU 56 N -5.48 0.00 0.01 2.58 7.99 -0.13 -1.35 117.00 120.63 3i1p n LEU 56 Ca -0.11 0.49 0.11 0.00 -0.01 0.00 0.00 56.01 56.50 3i1p n LEU 56 Cb 0.38 -0.49 0.11 0.00 -0.11 0.00 0.00 43.42 43.30 3i1p n LEU 56 CO 0.31 -0.28 0.22 -0.11 -1.51 0.00 0.00 177.39 176.02 3i1p n LEU 57 N -1.49 0.64 0.03 2.23 -0.00 0.21 -4.01 117.00 114.61 3i1p n LEU 57 Ca 0.03 -0.07 -0.14 0.00 -0.00 0.00 0.00 56.01 55.83 3i1p n LEU 57 Cb 0.15 -0.15 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 3i1p n LEU 57 CO 0.12 0.11 -0.38 0.78 -0.00 0.00 0.00 177.39 178.01 3i1p h ASN 58 N 0.00 0.24 0.00 1.96 4.21 0.15 -3.14 115.58 119.00 3i1p h ASN 58 Ca 0.00 -0.38 0.00 0.00 1.21 0.00 0.00 56.30 57.13 3i1p h ASN 58 Cb 0.59 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 3i1p h ASN 58 CO 0.00 1.32 0.00 -1.84 -1.29 0.00 0.00 177.43 175.62 3i1p n GLU 59 N -3.34 0.31 -0.50 0.81 0.28 -1.18 0.18 120.64 117.21 3i1p n GLU 59 Ca -0.16 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.75 3i1p n GLU 59 Cb 1.03 -1.49 0.05 0.00 1.43 0.00 0.00 31.44 32.46 3i1p n GLU 59 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3i1p n LYS 60 N -0.99 1.43 -2.89 3.44 4.81 -1.19 -4.78 118.16 118.00 3i1p n LYS 60 Ca 0.07 -0.97 -0.43 0.00 -0.87 0.00 0.00 58.31 56.12 3i1p n LYS 60 Cb 0.03 -1.38 -0.05 0.00 0.02 0.00 0.00 35.03 33.66 3i1p n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1p s ALA 61 N -1.08 3.33 0.00 3.14 0.00 0.13 -4.11 121.76 123.17 3i1p s ALA 61 Ca 0.19 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3i1p s ALA 61 Cb 0.15 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3i1p s ALA 61 CO 0.02 -1.79 0.00 0.41 0.00 0.00 0.00 175.76 174.40 3i1p n GLY 62 N 4.74 2.27 0.00 0.00 0.00 -1.26 -5.17 105.19 105.78 3i1p n GLY 62 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3i1p n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32