#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n LYS 2 N 0.00 0.00 0.04 3.17 5.02 -1.26 -4.98 118.16 120.15 3i1t n LYS 2 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 3i1t n LYS 2 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 3i1t n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1t n ALA 3 N -3.00 3.04 0.28 7.82 0.00 -1.26 -3.96 120.51 123.43 3i1t n ALA 3 Ca 0.00 -0.38 0.18 0.00 0.00 0.00 0.00 53.44 53.24 3i1t n ALA 3 Cb 0.00 -0.97 0.96 0.00 0.00 0.00 0.00 19.45 19.45 3i1t n ALA 3 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i1t h LYS 4 N 0.00 0.00 -2.48 0.00 6.56 -2.05 -2.06 116.57 116.54 3i1t h LYS 4 Ca 0.00 0.00 -0.78 0.00 -1.06 0.00 0.00 60.65 58.81 3i1t h LYS 4 Cb 0.86 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 32.31 3i1t h LYS 4 CO 0.00 0.00 1.60 0.39 -2.06 0.00 0.00 179.45 179.38 3i1t n GLU 5 N -3.48 5.00 -3.68 3.15 -0.58 -1.25 -4.90 120.64 114.89 3i1t n GLU 5 Ca -0.01 -4.15 -0.11 0.00 -0.42 0.00 0.00 57.16 52.47 3i1t n GLU 5 Cb 0.20 -2.55 -0.11 0.00 -0.57 0.00 0.00 31.44 28.41 3i1t n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3i1t s LEU 6 N -3.23 -0.24 -1.15 -4.62 1.43 -0.78 -4.95 118.68 105.14 3i1t s LEU 6 Ca 0.44 0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 54.31 3i1t s LEU 6 Cb 0.18 1.08 0.00 0.00 0.03 0.00 0.00 46.19 47.48 3i1t s LEU 6 CO -0.10 -0.21 0.97 -1.14 0.23 0.00 0.00 176.35 176.10 3i1t n ARG 7 N 4.90 -6.45 -3.31 1.70 0.63 -1.26 -4.97 116.66 107.90 3i1t n ARG 7 Ca -0.14 0.78 -0.26 0.00 -0.92 0.00 0.00 57.85 57.30 3i1t n ARG 7 Cb 0.52 -5.61 -0.07 0.00 0.45 0.00 0.00 32.46 27.75 3i1t n ARG 7 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3i1t n GLU 8 N -4.10 2.43 -2.45 -0.14 0.00 -1.26 -5.00 120.64 110.12 3i1t n GLU 8 Ca -0.19 -4.53 -0.01 0.00 0.00 0.00 0.00 57.16 52.43 3i1t n GLU 8 Cb 0.63 -2.14 -0.01 0.00 0.00 0.00 0.00 31.44 29.92 3i1t n GLU 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3i1t n LYS 9 N 0.71 -3.10 -0.14 3.44 3.00 -1.26 -4.45 118.16 116.36 3i1t n LYS 9 Ca 0.29 2.32 0.15 0.00 -0.00 0.00 0.00 58.31 61.07 3i1t n LYS 9 Cb 0.43 -3.08 0.51 0.00 0.00 0.00 0.00 35.03 32.88 3i1t n LYS 9 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3i1t h SER 10 N 4.33 0.38 0.01 3.14 0.87 -2.02 0.35 113.55 120.61 3i1t h SER 10 Ca -0.13 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3i1t h SER 10 Cb 0.30 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3i1t h SER 10 CO 0.00 0.20 0.00 0.52 -0.53 0.00 0.00 176.83 177.03 3i1t n VAL 11 N -4.47 1.40 0.00 2.23 0.31 -1.26 -0.71 118.33 115.83 3i1t n VAL 11 Ca 0.13 0.35 -0.22 0.00 -0.01 0.00 0.00 64.34 64.59 3i1t n VAL 11 Cb 0.49 -1.35 -0.14 0.00 -0.91 0.00 0.00 33.84 31.94 3i1t n VAL 11 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i1t h GLU 12 N 0.00 0.25 -0.43 5.55 5.08 -0.51 -3.36 114.58 121.16 3i1t h GLU 12 Ca 0.00 -0.42 0.12 0.00 -1.00 0.00 0.00 59.36 58.06 3i1t h GLU 12 Cb 0.00 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3i1t h GLU 12 CO 0.00 1.20 0.44 0.93 -1.00 0.00 0.00 179.01 180.58 3i1t h GLU 13 N -0.14 0.00 -0.20 2.33 4.39 -0.99 -0.34 114.58 119.64 3i1t h GLU 13 Ca -0.38 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.19 3i1t h GLU 13 Cb 1.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.55 3i1t h GLU 13 CO 0.06 0.00 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.45 3i1t h LEU 14 N 0.00 0.69 -0.27 1.33 3.38 -1.70 -2.66 115.31 116.08 3i1t h LEU 14 Ca 0.20 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3i1t h LEU 14 Cb 1.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3i1t h LEU 14 CO -0.00 1.11 0.00 0.59 0.09 0.00 0.00 178.44 180.22 3i1t n ASN 15 N -4.25 0.40 -0.08 -0.43 5.03 -0.18 -2.58 115.26 113.17 3i1t n ASN 15 Ca -0.06 -1.92 -0.06 0.00 0.87 0.00 0.00 54.58 53.41 3i1t n ASN 15 Cb 0.53 -0.05 -0.02 0.00 -1.02 0.00 0.00 39.78 39.22 3i1t n ASN 15 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3i1t n THR 16 N -0.32 1.44 0.30 3.41 -1.04 -0.93 -4.07 114.28 113.06 3i1t n THR 16 Ca 0.04 0.19 0.18 0.00 -2.04 0.00 0.00 64.05 62.43 3i1t n THR 16 Cb 0.07 -2.37 0.89 0.00 -1.82 0.00 0.00 70.33 67.10 3i1t n THR 16 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3i1t h GLU 17 N -1.00 0.00 -0.54 -2.82 5.08 -1.60 0.36 114.58 114.06 3i1t h GLU 17 Ca -0.02 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.48 3i1t h GLU 17 Cb 0.66 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 3i1t h GLU 17 CO -0.01 0.03 0.38 1.25 -1.00 0.00 0.00 179.01 179.66 3i1t h LEU 18 N 0.00 0.11 -1.98 1.33 7.12 -1.67 -1.32 115.31 118.89 3i1t h LEU 18 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3i1t h LEU 18 Cb 0.30 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 3i1t h LEU 18 CO 0.00 0.06 0.00 0.18 -0.13 0.00 0.00 178.44 178.55 3i1t n LEU 19 N -4.42 2.79 -0.02 2.25 4.32 0.12 -3.76 117.00 118.28 3i1t n LEU 19 Ca 0.10 -1.24 -0.01 0.00 -0.02 0.00 0.00 56.01 54.84 3i1t n LEU 19 Cb 0.53 -0.09 -0.00 0.00 -1.62 0.00 0.00 43.42 42.24 3i1t n LEU 19 CO 0.36 0.55 -0.04 0.78 -1.22 0.00 0.00 177.39 177.81 3i1t h ASN 20 N 3.59 0.00 0.00 -1.43 4.21 -0.69 -3.33 115.58 117.93 3i1t h ASN 20 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3i1t h ASN 20 Cb 0.80 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.00 3i1t h ASN 20 CO 0.00 0.24 0.00 0.18 -1.29 0.00 0.00 177.43 176.56 3i1t n LEU 21 N -3.19 0.00 0.00 1.61 4.77 -1.17 -3.14 117.00 115.87 3i1t n LEU 21 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3i1t n LEU 21 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3i1t n LEU 21 CO 0.01 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 175.96 3i1t n LEU 22 N -0.95 0.00 -0.19 2.23 7.94 -1.25 -3.07 117.00 121.71 3i1t n LEU 22 Ca 0.12 0.00 0.30 0.00 -1.11 0.00 0.00 56.01 55.31 3i1t n LEU 22 Cb 0.05 0.00 0.73 0.00 0.53 0.00 0.00 43.42 44.73 3i1t n LEU 22 CO 0.09 -0.54 1.27 0.03 -1.11 0.00 0.00 177.39 177.13 3i1t h ARG 23 N 0.00 0.00 0.00 1.96 2.47 -1.85 1.13 114.38 118.09 3i1t h ARG 23 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3i1t h ARG 23 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3i1t h ARG 23 CO 0.00 0.00 0.00 0.39 0.56 0.00 0.00 179.97 180.92 3i1t n GLU 24 N -4.16 0.06 0.00 0.04 1.02 -1.26 -0.10 120.64 116.24 3i1t n GLU 24 Ca 0.19 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 3i1t n GLU 24 Cb 1.02 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 3i1t n GLU 24 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3i1t n GLN 25 N -1.75 1.93 -0.03 3.49 7.27 0.26 -4.42 117.38 124.13 3i1t n GLN 25 Ca 0.03 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.96 3i1t n GLN 25 Cb 0.19 -0.92 -0.11 0.00 2.41 0.00 0.00 30.24 31.81 3i1t n GLN 25 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 3i1t h PHE 26 N 0.00 0.08 0.00 3.69 3.04 0.98 0.17 116.94 124.90 3i1t h PHE 26 Ca 0.00 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.83 3i1t h PHE 26 Cb 0.84 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 3i1t h PHE 26 CO 0.00 0.74 -0.37 -0.91 -2.02 0.00 0.00 178.31 175.75 3i1t h ASN 27 N -0.60 0.00 -0.52 0.41 -0.26 -0.66 -2.52 115.58 111.43 3i1t h ASN 27 Ca -0.01 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 3i1t h ASN 27 Cb 0.75 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.99 3i1t h ASN 27 CO 0.01 0.37 0.23 0.25 -1.06 0.00 0.00 177.43 177.24 3i1t h LEU 28 N 0.00 0.71 -0.63 1.61 7.12 -1.36 0.08 115.31 122.84 3i1t h LEU 28 Ca -0.00 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.86 3i1t h LEU 28 Cb 1.06 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.01 3i1t h LEU 28 CO 0.05 0.66 0.00 0.54 -0.13 0.00 0.00 178.44 179.56 3i1t n ARG 29 N -4.56 0.79 -0.06 1.25 1.74 0.58 -1.57 116.66 114.83 3i1t n ARG 29 Ca 0.02 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.14 3i1t n ARG 29 Cb 0.14 -1.25 0.07 0.00 -1.02 0.00 0.00 32.46 30.40 3i1t n ARG 29 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3i1t n MET 30 N -0.12 2.43 -0.00 5.56 1.56 0.01 -4.46 117.12 122.11 3i1t n MET 30 Ca 0.00 -1.96 0.01 0.00 -0.27 0.00 0.00 57.70 55.49 3i1t n MET 30 Cb 0.12 -1.22 -0.02 0.00 2.15 0.00 0.00 33.22 34.25 3i1t n MET 30 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 3i1t n GLN 31 N -0.72 4.79 0.00 2.12 6.02 -0.61 -3.63 117.38 125.34 3i1t n GLN 31 Ca 0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3i1t n GLN 31 Cb 0.42 -0.73 0.02 0.00 1.02 0.00 0.00 30.24 30.97 3i1t n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i1t n ALA 32 N -1.18 1.92 0.00 -1.58 0.00 -1.25 -2.01 120.51 116.42 3i1t n ALA 32 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1t n ALA 32 Cb 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3i1t n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 33 N -0.52 2.51 0.58 0.00 0.00 -1.26 -4.82 120.51 117.00 3i1t n ALA 33 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3i1t n ALA 33 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.69 3i1t n ALA 33 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i1t n SER 34 N -2.11 0.00 -3.59 0.00 7.64 -1.19 -4.85 113.62 109.53 3i1t n SER 34 Ca 0.00 -0.33 -0.25 0.00 1.01 0.00 0.00 58.87 59.30 3i1t n SER 34 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3i1t n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1t n GLY 35 N -0.39 -1.09 3.15 0.23 0.00 -0.85 -5.00 105.19 101.23 3i1t n GLY 35 Ca 0.06 0.49 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 3i1t n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i1t s GLN 36 N -5.29 0.76 0.16 1.61 -0.21 -1.17 -5.03 119.66 110.48 3i1t s GLN 36 Ca 0.33 -0.95 0.00 0.00 0.02 0.00 0.00 55.36 54.76 3i1t s GLN 36 Cb -0.11 -0.67 0.00 0.00 1.00 0.00 0.00 33.01 33.22 3i1t s GLN 36 CO 0.85 0.14 0.00 1.28 -2.12 0.00 0.00 175.29 175.44 3i1t n LEU 37 N 1.20 -5.08 -0.45 2.90 4.77 -1.26 -4.81 117.00 114.28 3i1t n LEU 37 Ca -0.21 2.90 0.13 0.00 -0.03 0.00 0.00 56.01 58.80 3i1t n LEU 37 Cb 0.55 -2.91 0.33 0.00 -2.33 0.00 0.00 43.42 39.05 3i1t n LEU 37 CO 0.22 -1.71 0.66 0.00 -1.33 0.00 0.00 177.39 175.23 3i1t n GLN 38 N 1.90 1.34 -2.03 3.23 6.02 -1.26 -4.67 117.38 121.91 3i1t n GLN 38 Ca 0.00 -0.90 -0.33 0.00 -0.01 0.00 0.00 57.00 55.77 3i1t n GLN 38 Cb 0.00 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.73 3i1t n GLN 38 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3i1t n GLN 39 N -0.05 1.86 -0.33 -1.09 3.00 -1.26 -4.74 117.38 114.77 3i1t n GLN 39 Ca 0.14 -2.52 0.18 0.00 -0.01 0.00 0.00 57.00 54.78 3i1t n GLN 39 Cb 0.40 -3.59 0.38 0.00 0.00 0.00 0.00 30.24 27.43 3i1t n GLN 39 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 3i1t h SER 40 N 9.07 0.50 0.08 1.08 0.02 -1.98 0.55 113.55 122.88 3i1t h SER 40 Ca 0.29 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3i1t h SER 40 Cb 0.89 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.53 3i1t h SER 40 CO 1.36 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 177.06 3i1t n HIS 41 N -4.99 0.00 0.10 3.45 1.44 -1.26 -2.67 115.22 111.28 3i1t n HIS 41 Ca 0.26 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.84 3i1t n HIS 41 Cb 0.77 -0.21 -0.07 0.00 0.12 0.00 0.00 29.99 30.60 3i1t n HIS 41 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 3i1t h LEU 42 N 0.00 -0.13 -0.19 2.39 6.46 -0.23 0.44 115.31 124.06 3i1t h LEU 42 Ca 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.81 3i1t h LEU 42 Cb 0.04 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 39.94 3i1t h LEU 42 CO 0.00 -0.09 -0.25 -0.07 -0.62 0.00 0.00 178.44 177.41 3i1t h LEU 43 N -0.16 -0.79 -0.62 2.25 -0.00 -1.71 -0.04 115.31 114.24 3i1t h LEU 43 Ca -0.02 0.13 0.13 0.00 -0.00 0.00 0.00 57.88 58.12 3i1t h LEU 43 Cb 0.12 0.36 -0.10 0.00 -0.00 0.00 0.00 40.66 41.05 3i1t h LEU 43 CO 0.03 -0.29 0.08 0.50 -0.00 0.00 0.00 178.44 178.75 3i1t h LYS 44 N -0.29 0.19 -7.36 1.13 1.63 -1.65 -3.39 116.57 106.83 3i1t h LYS 44 Ca 0.12 -0.01 -0.43 0.00 -0.85 0.00 0.00 60.65 59.48 3i1t h LYS 44 Cb 0.47 -0.04 0.18 0.00 -0.60 0.00 0.00 32.23 32.24 3i1t h LYS 44 CO -0.35 0.13 0.15 -0.65 -3.45 0.00 0.00 179.45 175.27 3i1t s GLN 45 N -6.12 -0.59 0.00 1.90 1.11 0.15 -3.18 119.66 112.93 3i1t s GLN 45 Ca -0.13 0.20 0.00 0.00 0.01 0.00 0.00 55.36 55.44 3i1t s GLN 45 Cb 0.19 -1.65 0.00 0.00 -1.01 0.00 0.00 33.01 30.54 3i1t s GLN 45 CO 0.74 -3.35 0.00 0.28 0.01 0.00 0.00 175.29 172.97 3i1t n VAL 46 N -4.55 0.00 0.00 1.09 0.31 -1.26 -4.71 118.33 109.21 3i1t n VAL 46 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3i1t n VAL 46 Cb 0.58 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 3i1t n VAL 46 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i1t n ARG 47 N -0.11 0.00 -0.40 5.55 0.63 -1.19 -4.62 116.66 116.52 3i1t n ARG 47 Ca 0.00 0.00 0.32 0.00 -0.92 0.00 0.00 57.85 57.25 3i1t n ARG 47 Cb 0.32 0.00 0.61 0.00 0.45 0.00 0.00 32.46 33.85 3i1t n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1t h ARG 48 N 0.00 0.18 0.00 -0.14 3.08 -1.84 2.42 114.38 118.07 3i1t h ARG 48 Ca 0.00 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3i1t h ARG 48 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3i1t h ARG 48 CO 0.00 0.12 -0.42 -0.44 -1.07 0.00 0.00 179.97 178.15 3i1t h ASP 49 N 0.18 0.00 0.50 7.04 3.32 -1.89 -2.17 116.42 123.40 3i1t h ASP 49 Ca 0.73 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.76 3i1t h ASP 49 Cb 2.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.77 3i1t h ASP 49 CO -0.35 0.42 -0.10 0.58 -1.72 0.00 0.00 179.24 178.08 3i1t h VAL 50 N 0.00 0.41 0.00 -1.35 2.07 0.39 0.23 116.25 118.00 3i1t h VAL 50 Ca -0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3i1t h VAL 50 Cb 0.97 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3i1t h VAL 50 CO 0.06 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.74 3i1t n ALA 51 N -2.22 1.91 -0.04 1.67 0.00 -0.82 -2.43 120.51 118.58 3i1t n ALA 51 Ca -0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 3i1t n ALA 51 Cb 0.25 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.21 3i1t n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1t n ARG 52 N -1.81 0.72 0.00 0.00 1.74 0.70 0.07 116.66 118.08 3i1t n ARG 52 Ca 0.04 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 3i1t n ARG 52 Cb 0.26 -1.65 0.02 0.00 -1.02 0.00 0.00 32.46 30.08 3i1t n ARG 52 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i1t n VAL 53 N -3.38 1.37 -0.06 1.55 0.31 -0.57 -0.66 118.33 116.89 3i1t n VAL 53 Ca -0.36 0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 3i1t n VAL 53 Cb 1.03 -1.33 -0.04 0.00 -0.91 0.00 0.00 33.84 32.59 3i1t n VAL 53 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i1t n LYS 54 N -1.35 0.28 0.28 5.55 5.02 -1.02 -4.22 118.16 122.70 3i1t n LYS 54 Ca 0.00 0.12 -0.16 0.00 -2.02 0.00 0.00 58.31 56.25 3i1t n LYS 54 Cb 0.01 -0.97 -0.08 0.00 -0.02 0.00 0.00 35.03 33.97 3i1t n LYS 54 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3i1t h THR 55 N -0.48 0.42 0.00 -0.18 2.02 0.25 0.63 112.91 115.57 3i1t h THR 55 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3i1t h THR 55 Cb 1.16 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3i1t h THR 55 CO -0.17 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.90 3i1t n LEU 56 N -5.42 0.62 0.08 2.58 7.99 0.16 -1.12 117.00 121.90 3i1t n LEU 56 Ca -0.11 0.67 0.12 0.00 -0.01 0.00 0.00 56.01 56.68 3i1t n LEU 56 Cb 0.32 -0.60 0.20 0.00 -0.11 0.00 0.00 43.42 43.23 3i1t n LEU 56 CO 0.34 -0.60 0.46 0.25 -1.51 0.00 0.00 177.39 176.34 3i1t h LEU 57 N 0.00 0.00 0.11 2.23 7.12 -0.86 -3.31 115.31 120.60 3i1t h LEU 57 Ca 0.00 -0.14 -0.29 0.00 0.13 0.00 0.00 57.88 57.58 3i1t h LEU 57 Cb 0.31 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 3i1t h LEU 57 CO 0.00 0.07 -1.39 0.78 -0.13 0.00 0.00 178.44 177.77 3i1t h ASN 58 N 0.00 0.37 0.02 1.25 4.21 0.17 -2.85 115.58 118.75 3i1t h ASN 58 Ca 0.00 -0.45 0.00 0.00 1.21 0.00 0.00 56.30 57.06 3i1t h ASN 58 Cb 0.78 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 3i1t h ASN 58 CO 0.00 1.37 0.00 -1.84 -1.29 0.00 0.00 177.43 175.67 3i1t n GLU 59 N -3.46 0.22 -0.35 0.81 0.28 -1.15 0.20 120.64 117.19 3i1t n GLU 59 Ca -0.12 0.03 -0.05 0.00 -0.16 0.00 0.00 57.16 56.85 3i1t n GLU 59 Cb 1.03 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 32.43 3i1t n GLU 59 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3i1t n LYS 60 N -1.03 1.25 -2.89 3.44 4.81 -1.08 -4.78 118.16 117.88 3i1t n LYS 60 Ca 0.05 -0.56 -0.43 0.00 -0.87 0.00 0.00 58.31 56.51 3i1t n LYS 60 Cb 0.03 -1.22 -0.05 0.00 0.02 0.00 0.00 35.03 33.81 3i1t n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1t s ALA 61 N -0.63 3.31 0.00 3.14 0.00 0.13 -4.10 121.76 123.61 3i1t s ALA 61 Ca 0.11 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3i1t s ALA 61 Cb 0.09 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3i1t s ALA 61 CO 0.01 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.32 3i1t n GLY 62 N 4.82 2.48 0.00 0.00 0.00 -1.26 -5.17 105.19 106.06 3i1t n GLY 62 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3i1t n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32