#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 n MET 2 N 0.00 0.58 0.24 1.43 -0.00 -1.26 -2.92 117.12 115.19 3i21 n MET 2 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.70 57.77 3i21 n MET 2 Cb 0.00 -1.23 0.58 0.00 -0.00 0.00 0.00 33.22 32.56 3i21 n MET 2 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 3i21 h GLN 3 N 0.34 0.00 -2.30 3.17 4.20 -2.07 -3.27 115.11 115.18 3i21 h GLN 3 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 3i21 h GLN 3 Cb 0.23 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 27.60 3i21 h GLN 3 CO 0.00 0.15 -0.61 -3.47 -0.67 0.00 0.00 178.83 174.23 3i21 n ASP 4 N -4.17 3.51 0.22 1.46 -0.08 -1.15 -4.90 116.55 111.44 3i21 n ASP 4 Ca -0.02 -3.38 0.06 0.00 -1.51 0.00 0.00 54.79 49.93 3i21 n ASP 4 Cb 0.23 -0.68 0.50 0.00 2.34 0.00 0.00 41.12 43.51 3i21 n ASP 4 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3i21 h PRO 5 N 4.33 0.00 0.00 -0.67 0.11 -1.84 -2.83 132.00 131.10 3i21 h PRO 5 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3i21 h PRO 5 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3i21 h PRO 5 CO 0.81 0.22 0.00 -0.89 -0.21 0.00 0.00 178.00 177.92 3i21 n ILE 6 N -4.20 0.00 -0.38 4.15 2.08 -1.26 -0.77 119.36 118.98 3i21 n ILE 6 Ca -0.02 1.43 0.30 0.00 0.56 0.00 0.00 62.75 65.02 3i21 n ILE 6 Cb 0.28 -2.30 0.57 0.00 -0.75 0.00 0.00 39.64 37.44 3i21 n ILE 6 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i21 h ALA 7 N -1.78 2.36 0.81 -1.39 0.00 -1.93 -0.13 119.26 117.19 3i21 h ALA 7 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3i21 h ALA 7 Cb 0.00 0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3i21 h ALA 7 CO 0.00 -0.97 -0.41 0.22 0.00 0.00 0.00 179.25 178.09 3i21 h ASP 8 N 0.19 -0.97 -0.75 0.00 3.58 -1.16 0.22 116.42 117.52 3i21 h ASP 8 Ca 0.77 0.04 0.09 0.00 0.42 0.00 0.00 57.03 58.35 3i21 h ASP 8 Cb 2.11 0.26 -0.12 0.00 1.72 0.00 0.00 39.33 43.31 3i21 h ASP 8 CO -0.51 -0.68 -0.49 -0.03 -2.88 0.00 0.00 179.24 174.66 3i21 h MET 9 N -1.11 -0.14 -0.52 0.28 4.05 0.92 0.39 114.93 118.80 3i21 h MET 9 Ca -0.11 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.41 3i21 h MET 9 Cb 0.86 0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.62 3i21 h MET 9 CO 0.17 -0.10 0.08 -0.07 0.23 0.00 0.00 176.91 177.23 3i21 h LEU 10 N -0.15 -0.05 -0.50 3.39 3.38 -1.13 -2.10 115.31 118.16 3i21 h LEU 10 Ca 0.19 0.10 -0.16 0.00 0.09 0.00 0.00 57.88 58.10 3i21 h LEU 10 Cb 0.53 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3i21 h LEU 10 CO -0.80 0.00 -0.48 0.71 0.09 0.00 0.00 178.44 177.97 3i21 h THR 11 N 0.21 1.30 0.86 0.22 1.35 0.95 0.87 112.91 118.67 3i21 h THR 11 Ca 0.26 -1.68 -0.04 0.00 -0.55 0.00 0.00 66.41 64.41 3i21 h THR 11 Cb 0.37 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3i21 h THR 11 CO -0.36 0.54 -0.46 0.03 -0.25 0.00 0.00 175.52 175.02 3i21 h ARG 12 N 0.55 -1.16 -0.54 4.72 3.08 0.06 0.27 114.38 121.36 3i21 h ARG 12 Ca 0.03 0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.25 3i21 h ARG 12 Cb 1.03 0.26 -0.11 0.00 0.08 0.00 0.00 29.97 31.24 3i21 h ARG 12 CO 0.10 -0.78 -0.36 0.82 -1.07 0.00 0.00 179.97 178.68 3i21 h ILE 13 N -1.21 0.16 -0.06 2.04 2.04 -1.39 0.75 117.51 119.84 3i21 h ILE 13 Ca -0.12 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3i21 h ILE 13 Cb 0.94 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3i21 h ILE 13 CO 0.17 0.00 -0.33 -0.09 0.00 0.00 0.00 178.15 177.89 3i21 h ARG 14 N -0.21 -0.36 0.00 2.37 2.43 -0.61 0.29 114.38 118.30 3i21 h ARG 14 Ca 0.20 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3i21 h ARG 14 Cb 0.56 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3i21 h ARG 14 CO -0.65 -0.24 0.00 0.09 -1.51 0.00 0.00 179.97 177.67 3i21 n ASN 15 N -4.31 0.40 -0.03 -3.80 3.02 0.93 -1.54 115.26 109.93 3i21 n ASN 15 Ca -0.04 0.61 -0.14 0.00 -0.03 0.00 0.00 54.58 54.98 3i21 n ASN 15 Cb 0.23 -0.69 -0.11 0.00 -0.61 0.00 0.00 39.78 38.61 3i21 n ASN 15 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3i21 h GLY 16 N 1.99 0.16 0.65 7.41 0.00 0.19 -3.06 103.07 110.41 3i21 h GLY 16 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 3i21 h GLY 16 CO 0.00 0.21 -0.44 1.46 0.00 0.00 0.00 176.54 177.77 3i21 h GLN 17 N -0.48 -1.00 0.00 4.80 1.08 0.58 -2.04 115.11 118.05 3i21 h GLN 17 Ca -0.01 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3i21 h GLN 17 Cb 0.84 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3i21 h GLN 17 CO 0.03 -0.66 0.20 0.00 -0.95 0.00 0.00 178.83 177.45 3i21 h ALA 18 N -1.21 1.15 -0.02 3.87 0.00 -1.46 1.72 119.26 123.31 3i21 h ALA 18 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i21 h ALA 18 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i21 h ALA 18 CO 0.06 -0.15 -0.36 0.00 0.00 0.00 0.00 179.25 178.80 3i21 n ALA 19 N -1.69 3.31 -0.81 0.00 0.00 -0.90 -4.95 120.51 115.47 3i21 n ALA 19 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3i21 n ALA 19 Cb 0.23 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3i21 n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i21 n ASN 20 N -0.02 -1.69 -4.68 0.00 5.15 0.59 -4.91 115.26 109.70 3i21 n ASN 20 Ca 0.11 0.00 -0.56 0.00 -0.60 0.00 0.00 54.58 53.53 3i21 n ASN 20 Cb 0.45 -1.74 -0.07 0.00 -0.53 0.00 0.00 39.78 37.89 3i21 n ASN 20 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3i21 n LYS 21 N -1.53 1.25 0.00 1.20 4.76 -0.94 -4.86 118.16 118.04 3i21 n LYS 21 Ca 0.00 0.45 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 3i21 n LYS 21 Cb 0.10 -2.19 0.00 0.00 -1.84 0.00 0.00 35.03 31.10 3i21 n LYS 21 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i21 n ALA 22 N 5.99 0.00 -2.49 7.82 0.00 -1.26 -4.73 120.51 125.84 3i21 n ALA 22 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.49 3i21 n ALA 22 Cb 0.15 0.34 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 3i21 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 s ALA 23 N -3.33 2.56 0.20 0.00 0.00 -1.26 -3.75 121.76 116.19 3i21 s ALA 23 Ca 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 51.96 49.95 3i21 s ALA 23 Cb 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 3i21 s ALA 23 CO 0.00 -0.28 0.22 0.54 0.00 0.00 0.00 175.76 176.24 3i21 s VAL 24 N -3.21 0.01 0.18 0.00 0.11 -0.28 -4.97 120.40 112.24 3i21 s VAL 24 Ca 0.34 -1.82 0.01 0.00 -2.93 0.00 0.00 61.98 57.58 3i21 s VAL 24 Cb 0.08 -2.36 -0.05 0.00 -1.53 0.00 0.00 36.38 32.53 3i21 s VAL 24 CO 0.15 -0.05 0.04 0.28 -3.33 0.00 0.00 175.10 172.19 3i21 s THR 25 N -4.11 0.49 0.20 5.04 -1.32 -1.26 -1.21 115.64 113.47 3i21 s THR 25 Ca 0.33 -1.97 -0.22 0.00 -1.21 0.00 0.00 61.69 58.62 3i21 s THR 25 Cb 0.05 -2.21 0.07 0.00 -1.51 0.00 0.00 72.50 68.91 3i21 s THR 25 CO 0.10 -0.37 1.01 0.00 -2.21 0.00 0.00 174.62 173.15 3i21 s MET 26 N -3.98 1.38 0.23 7.08 0.23 -0.01 -4.99 119.30 119.24 3i21 s MET 26 Ca 0.27 -0.87 -0.22 0.00 -1.03 0.00 0.00 55.69 53.83 3i21 s MET 26 Cb 0.07 0.40 -0.09 0.00 -1.53 0.00 0.00 34.83 33.68 3i21 s MET 26 CO 0.05 -0.64 0.78 -1.25 -2.03 0.00 0.00 175.02 171.93 3i21 s PRO 27 N -2.33 4.39 0.83 3.16 0.04 -1.26 0.17 135.00 140.00 3i21 s PRO 27 Ca 0.20 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.15 3i21 s PRO 27 Cb -0.03 -2.94 0.09 0.00 0.04 0.00 0.00 34.50 31.66 3i21 s PRO 27 CO 0.05 0.40 1.11 0.45 0.04 0.00 0.00 177.00 179.05 3i21 s SER 28 N -1.54 4.23 0.00 6.66 0.15 0.19 -4.68 113.70 118.72 3i21 s SER 28 Ca 0.43 1.23 0.00 0.00 0.70 0.00 0.00 55.95 58.31 3i21 s SER 28 Cb -0.18 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 3i21 s SER 28 CO 0.23 -2.13 0.12 -1.54 1.20 0.00 0.00 173.24 171.12 3i21 n SER 29 N -3.52 -0.01 0.00 5.45 3.41 -1.26 -4.97 113.62 112.71 3i21 n SER 29 Ca 0.07 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3i21 n SER 29 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3i21 n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i21 n LYS 30 N 0.00 0.00 0.26 4.33 4.76 -1.26 -3.61 118.16 122.63 3i21 n LYS 30 Ca -0.00 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 3i21 n LYS 30 Cb 0.12 0.00 0.37 0.00 -1.84 0.00 0.00 35.03 33.69 3i21 n LYS 30 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3i21 h LEU 31 N 0.00 0.00 0.05 -0.35 5.85 -1.97 0.71 115.31 119.61 3i21 h LEU 31 Ca 0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 3i21 h LEU 31 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3i21 h LEU 31 CO 0.00 0.00 -1.86 1.17 -0.34 0.00 0.00 178.44 177.41 3i21 n LYS 32 N -2.37 0.69 0.10 1.25 4.81 -1.24 -4.17 118.16 117.24 3i21 n LYS 32 Ca -0.01 0.27 -0.21 0.00 -0.87 0.00 0.00 58.31 57.49 3i21 n LYS 32 Cb 0.55 -1.75 -0.15 0.00 0.02 0.00 0.00 35.03 33.71 3i21 n LYS 32 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i21 h VAL 33 N 0.03 1.19 0.00 3.15 2.07 -0.15 -3.10 116.25 119.44 3i21 h VAL 33 Ca -0.36 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.43 3i21 h VAL 33 Cb 2.03 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 34.68 3i21 h VAL 33 CO 0.08 0.84 0.00 0.00 0.02 0.00 0.00 177.57 178.51 3i21 n ALA 34 N -2.71 1.77 -0.03 1.67 0.00 0.16 -1.34 120.51 120.02 3i21 n ALA 34 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 3i21 n ALA 34 Cb 1.07 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 3i21 n ALA 34 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i21 n ILE 35 N -0.42 0.32 -0.29 0.00 5.41 -1.21 -4.40 119.36 118.78 3i21 n ILE 35 Ca 0.00 -0.09 0.14 0.00 1.00 0.00 0.00 62.75 63.80 3i21 n ILE 35 Cb 0.01 -1.30 0.40 0.00 -0.71 0.00 0.00 39.64 38.04 3i21 n ILE 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i21 h ALA 36 N -0.14 1.90 -0.07 -1.39 0.00 -1.24 0.29 119.26 118.61 3i21 h ALA 36 Ca -0.14 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3i21 h ALA 36 Cb 1.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3i21 h ALA 36 CO -0.07 -0.20 0.04 -0.97 0.00 0.00 0.00 179.25 178.06 3i21 h ASN 37 N 0.63 0.06 -0.89 0.00 -0.00 -1.47 0.30 115.58 114.21 3i21 h ASN 37 Ca 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 56.30 56.80 3i21 h ASN 37 Cb 0.92 -0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 39.18 3i21 h ASN 37 CO -0.25 0.05 0.58 0.58 -0.00 0.00 0.00 177.43 178.39 3i21 h VAL 38 N 0.09 1.23 0.00 2.57 2.07 -1.16 -0.85 116.25 120.20 3i21 h VAL 38 Ca 0.03 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3i21 h VAL 38 Cb -0.00 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 3i21 h VAL 38 CO -0.02 0.23 -0.22 -0.07 0.02 0.00 0.00 177.57 177.52 3i21 h LEU 39 N 1.22 0.00 -0.73 2.57 3.38 0.19 0.78 115.31 122.72 3i21 h LEU 39 Ca 0.33 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.17 3i21 h LEU 39 Cb -0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3i21 h LEU 39 CO -0.07 0.22 -0.62 0.50 0.09 0.00 0.00 178.44 178.56 3i21 h LYS 40 N 0.00 0.00 0.15 1.13 3.11 0.87 -0.39 116.57 121.44 3i21 h LYS 40 Ca -0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 3i21 h LYS 40 Cb 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.80 3i21 h LYS 40 CO 0.03 0.62 -0.07 0.93 -2.81 0.00 0.00 179.45 178.15 3i21 h GLU 41 N 0.00 -0.19 -0.95 1.90 4.39 0.40 -2.61 114.58 117.52 3i21 h GLU 41 Ca -0.01 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 3i21 h GLU 41 Cb 1.12 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 3i21 h GLU 41 CO 0.08 0.07 0.02 -1.91 -1.16 0.00 0.00 179.01 176.11 3i21 n GLU 42 N -5.07 1.54 -3.86 2.33 0.00 -1.00 -4.88 120.64 109.70 3i21 n GLU 42 Ca -0.09 -0.50 -0.35 0.00 0.00 0.00 0.00 57.16 56.22 3i21 n GLU 42 Cb 0.19 -1.53 0.02 0.00 0.00 0.00 0.00 31.44 30.12 3i21 n GLU 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i21 n GLY 43 N 0.13 -0.79 0.09 8.31 0.00 -0.99 -4.88 105.19 107.07 3i21 n GLY 43 Ca 0.06 0.36 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 3i21 n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i21 n PHE 44 N -4.48 0.00 -4.49 1.61 3.72 -0.17 -4.99 117.46 108.67 3i21 n PHE 44 Ca -0.14 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.96 3i21 n PHE 44 Cb 0.60 -0.87 -0.13 0.00 -0.94 0.00 0.00 39.48 38.15 3i21 n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3i21 s ILE 45 N -2.43 2.42 0.24 4.37 -4.36 -1.15 -4.01 121.20 116.28 3i21 s ILE 45 Ca -0.11 -1.58 -0.05 0.00 -0.26 0.00 0.00 60.65 58.65 3i21 s ILE 45 Cb 0.05 -2.06 0.13 0.00 1.25 0.00 0.00 42.46 41.84 3i21 s ILE 45 CO 0.70 0.16 1.76 -0.08 0.24 0.00 0.00 174.94 177.73 3i21 h GLU 46 N 4.07 0.99 0.00 0.37 4.57 -1.72 -3.42 114.58 119.43 3i21 h GLU 46 Ca -0.50 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.46 3i21 h GLU 46 Cb 1.16 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 3i21 h GLU 46 CO 0.42 0.89 0.00 -0.40 -1.18 0.00 0.00 179.01 178.74 3i21 n ASP 47 N -4.24 0.00 -3.62 1.04 3.85 -1.26 -5.04 116.55 107.28 3i21 n ASP 47 Ca 0.04 0.00 -0.08 0.00 -0.71 0.00 0.00 54.79 54.05 3i21 n ASP 47 Cb 0.25 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 39.96 3i21 n ASP 47 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 3i21 s PHE 48 N -3.00 -0.33 -0.16 2.11 -0.71 -1.26 -3.51 117.98 111.12 3i21 s PHE 48 Ca 0.00 0.73 -0.03 0.00 -1.04 0.00 0.00 56.93 56.59 3i21 s PHE 48 Cb 0.00 0.42 0.05 0.00 -1.21 0.00 0.00 43.02 42.28 3i21 s PHE 48 CO 0.00 -0.21 0.03 0.21 -1.34 0.00 0.00 175.22 173.91 3i21 s LYS 49 N -0.32 0.56 -0.78 1.99 2.47 -0.52 -4.96 119.74 118.18 3i21 s LYS 49 Ca 0.03 -0.25 -0.24 0.00 -1.56 0.00 0.00 55.97 53.96 3i21 s LYS 49 Cb -0.03 -1.80 0.06 0.00 -1.46 0.00 0.00 37.83 34.60 3i21 s LYS 49 CO -0.06 -0.56 1.17 0.54 0.16 0.00 0.00 175.35 176.60 3i21 s VAL 50 N 1.92 4.09 -0.16 4.02 0.11 -1.26 -0.17 120.40 128.95 3i21 s VAL 50 Ca 0.01 -0.30 -0.04 0.00 -2.93 0.00 0.00 61.98 58.71 3i21 s VAL 50 Cb -0.16 -4.84 -0.03 0.00 -1.53 0.00 0.00 36.38 29.82 3i21 s VAL 50 CO -0.07 -1.68 -0.02 -1.61 -3.33 0.00 0.00 175.10 168.38 3i21 s GLU 51 N 4.64 3.70 0.00 1.54 2.02 -1.23 -4.90 118.70 124.46 3i21 s GLU 51 Ca 0.32 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.81 3i21 s GLU 51 Cb -0.10 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.16 3i21 s GLU 51 CO 0.06 0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.96 3i21 n GLY 52 N 3.64 0.04 2.04 -1.39 0.00 -1.26 0.76 105.19 109.02 3i21 n GLY 52 Ca -0.17 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3i21 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i21 n ASP 53 N 0.00 -0.83 -0.07 1.61 4.64 -1.26 -4.72 116.55 115.92 3i21 n ASP 53 Ca 0.00 0.49 -0.11 0.00 -1.38 0.00 0.00 54.79 53.79 3i21 n ASP 53 Cb 0.00 0.95 -0.08 0.00 -1.04 0.00 0.00 41.12 40.95 3i21 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i21 h THR 54 N 0.00 0.94 -2.45 5.18 1.03 -2.05 -3.40 112.91 112.17 3i21 h THR 54 Ca 0.00 -1.82 -0.60 0.00 -0.01 0.00 0.00 66.41 63.98 3i21 h THR 54 Cb 0.00 1.89 -0.42 0.00 -1.07 0.00 0.00 68.15 68.55 3i21 h THR 54 CO 0.00 0.32 -0.62 0.29 -0.01 0.00 0.00 175.52 175.50 3i21 n LYS 55 N -4.61 2.17 -1.41 0.00 4.01 -1.26 -5.08 118.16 111.99 3i21 n LYS 55 Ca -0.12 -4.51 -0.60 0.00 -0.51 0.00 0.00 58.31 52.57 3i21 n LYS 55 Cb 0.38 -2.20 -0.11 0.00 -0.51 0.00 0.00 35.03 32.60 3i21 n LYS 55 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 3i21 n PRO 56 N 1.25 0.23 0.00 1.97 -0.04 -1.26 -4.81 135.00 132.33 3i21 n PRO 56 Ca 0.27 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 3i21 n PRO 56 Cb 0.40 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 3i21 n PRO 56 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i21 n GLU 57 N 6.75 0.48 -3.15 0.54 4.07 0.23 -0.63 120.64 128.93 3i21 n GLU 57 Ca 0.46 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.61 3i21 n GLU 57 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 3i21 n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3i21 s LEU 58 N 0.00 -0.90 0.09 4.31 0.20 0.46 -3.34 118.68 119.50 3i21 s LEU 58 Ca 0.00 0.55 0.01 0.00 0.69 0.00 0.00 54.13 55.38 3i21 s LEU 58 Cb 0.00 1.75 -0.04 0.00 -0.43 0.00 0.00 46.19 47.47 3i21 s LEU 58 CO 0.00 -0.17 0.19 -0.70 -0.29 0.00 0.00 176.35 175.39 3i21 s GLU 59 N 2.91 3.31 -0.02 1.98 2.12 0.76 -0.83 118.70 128.93 3i21 s GLU 59 Ca 0.09 -0.54 -0.02 0.00 0.36 0.00 0.00 54.97 54.86 3i21 s GLU 59 Cb -0.12 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.32 3i21 s GLU 59 CO -0.16 0.58 0.06 -0.51 -0.54 0.00 0.00 175.26 174.69 3i21 s LEU 60 N -2.65 1.81 -0.58 2.70 1.02 -0.35 -1.44 118.68 119.19 3i21 s LEU 60 Ca 0.34 0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.53 3i21 s LEU 60 Cb -0.12 0.22 0.15 0.00 0.02 0.00 0.00 46.19 46.46 3i21 s LEU 60 CO 0.27 -0.07 0.36 -0.89 0.02 0.00 0.00 176.35 176.04 3i21 s THR 61 N -0.21 3.10 1.02 5.49 2.01 -1.23 -1.13 115.64 124.70 3i21 s THR 61 Ca -0.03 -3.25 -0.17 0.00 0.31 0.00 0.00 61.69 58.55 3i21 s THR 61 Cb -0.02 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.43 3i21 s THR 61 CO 0.00 -0.85 -0.10 0.18 -0.69 0.00 0.00 174.62 173.16 3i21 n LEU 62 N 3.16 -2.03 -4.30 4.42 7.99 -1.25 -2.48 117.00 122.53 3i21 n LEU 62 Ca 0.07 0.11 -0.34 0.00 -0.01 0.00 0.00 56.01 55.85 3i21 n LEU 62 Cb 0.35 -0.99 -0.15 0.00 -0.11 0.00 0.00 43.42 42.52 3i21 n LEU 62 CO 0.34 -3.64 -0.45 -0.54 -1.51 0.00 0.00 177.39 171.59 3i21 s LYS 63 N -3.19 3.30 -0.03 3.23 1.02 -1.26 -4.54 119.74 118.27 3i21 s LYS 63 Ca 0.52 -0.70 0.06 0.00 0.02 0.00 0.00 55.97 55.88 3i21 s LYS 63 Cb -0.14 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.42 3i21 s LYS 63 CO 0.69 -0.01 -0.22 0.71 -0.92 0.00 0.00 175.35 175.60 3i21 s TYR 64 N 0.92 2.03 0.00 3.18 1.51 -1.26 0.13 117.35 123.85 3i21 s TYR 64 Ca -0.03 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 3i21 s TYR 64 Cb -0.15 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 3i21 s TYR 64 CO -0.01 -0.08 0.00 0.34 -1.11 0.00 0.00 175.55 174.69 3i21 n PHE 65 N 2.67 0.00 -0.86 2.71 7.35 0.15 -4.88 117.46 124.59 3i21 n PHE 65 Ca -0.16 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.30 3i21 n PHE 65 Cb 0.52 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.31 3i21 n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3i21 n GLN 66 N -0.00 2.33 -0.54 -4.13 1.13 -1.26 -4.28 117.38 110.62 3i21 n GLN 66 Ca 0.00 -1.48 0.00 0.00 -1.94 0.00 0.00 57.00 53.58 3i21 n GLN 66 Cb 0.00 -2.41 0.00 0.00 0.11 0.00 0.00 30.24 27.94 3i21 n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i21 n GLY 67 N 3.50 0.57 3.20 1.08 0.00 -1.26 -4.94 105.19 107.34 3i21 n GLY 67 Ca 0.50 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.32 3i21 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i21 s LYS 68 N -0.47 0.90 1.12 1.61 2.47 -1.26 -5.12 119.74 118.99 3i21 s LYS 68 Ca 0.00 -1.00 -0.12 0.00 -1.56 0.00 0.00 55.97 53.29 3i21 s LYS 68 Cb 0.00 -0.97 0.25 0.00 -1.46 0.00 0.00 37.83 35.65 3i21 s LYS 68 CO 0.00 0.22 1.01 0.00 0.16 0.00 0.00 175.35 176.74 3i21 n ALA 69 N 1.25 -2.49 0.10 3.13 0.00 -1.26 0.30 120.51 121.54 3i21 n ALA 69 Ca -0.21 -1.04 0.06 0.00 0.00 0.00 0.00 53.44 52.25 3i21 n ALA 69 Cb 0.54 -2.03 -0.00 0.00 0.00 0.00 0.00 19.45 17.96 3i21 n ALA 69 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3i21 h VAL 70 N -2.49 0.34 -2.86 0.00 3.04 0.70 -3.43 116.25 111.54 3i21 h VAL 70 Ca -0.57 -1.58 -0.76 0.00 -1.01 0.00 0.00 66.70 62.78 3i21 h VAL 70 Cb 1.32 1.93 -0.22 0.00 -2.01 0.00 0.00 31.29 32.30 3i21 h VAL 70 CO 0.47 0.19 0.87 -0.69 -1.01 0.00 0.00 177.57 177.40 3i21 s VAL 71 N -3.11 5.45 0.00 1.51 1.01 -1.26 -4.89 120.40 119.10 3i21 s VAL 71 Ca 0.01 -2.87 0.00 0.00 0.00 0.00 0.00 61.98 59.11 3i21 s VAL 71 Cb 0.08 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.71 3i21 s VAL 71 CO 0.77 -1.40 0.80 -0.62 0.00 0.00 0.00 175.10 174.66 3i21 n GLU 72 N 4.40 0.00 -4.41 2.72 -0.58 -1.26 -4.77 120.64 116.74 3i21 n GLU 72 Ca 0.29 0.72 -0.21 0.00 -0.42 0.00 0.00 57.16 57.54 3i21 n GLU 72 Cb 0.42 -1.30 -0.10 0.00 -0.57 0.00 0.00 31.44 29.89 3i21 n GLU 72 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3i21 s SER 73 N -2.83 2.99 -0.29 1.62 0.01 -1.24 -5.03 113.70 108.93 3i21 s SER 73 Ca 0.00 -1.06 -0.15 0.00 1.31 0.00 0.00 55.95 56.05 3i21 s SER 73 Cb 0.00 -0.20 0.12 0.00 0.21 0.00 0.00 66.02 66.15 3i21 s SER 73 CO 0.00 -0.13 0.83 -0.51 0.41 0.00 0.00 173.24 173.84 3i21 s ILE 74 N -2.81 -0.25 0.00 1.44 2.07 -1.26 -0.33 121.20 120.07 3i21 s ILE 74 Ca 0.26 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.50 3i21 s ILE 74 Cb -0.01 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.58 3i21 s ILE 74 CO 0.11 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 173.14 3i21 n GLN 75 N 4.40 2.33 -3.80 3.50 1.13 -1.15 -4.92 117.38 118.87 3i21 n GLN 75 Ca -0.16 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.77 3i21 n GLN 75 Cb 0.56 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.79 3i21 n GLN 75 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3i21 s ARG 76 N -0.08 0.29 0.00 -1.09 3.00 -1.26 -3.31 118.95 116.50 3i21 s ARG 76 Ca 0.00 0.24 0.00 0.00 -1.00 0.00 0.00 55.73 54.97 3i21 s ARG 76 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 34.95 35.09 3i21 s ARG 76 CO 0.00 -0.04 0.00 0.28 0.00 0.00 0.00 175.30 175.54 3i21 n VAL 77 N 2.79 0.00 -1.67 7.11 0.31 0.22 -4.88 118.33 122.19 3i21 n VAL 77 Ca -0.14 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.03 3i21 n VAL 77 Cb 0.58 -0.29 -0.10 0.00 -0.91 0.00 0.00 33.84 33.12 3i21 n VAL 77 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3i21 s SER 78 N 0.87 3.77 0.45 4.52 0.15 -1.25 -4.75 113.70 117.46 3i21 s SER 78 Ca 0.00 -0.85 -0.01 0.00 0.70 0.00 0.00 55.95 55.79 3i21 s SER 78 Cb 0.00 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 3i21 s SER 78 CO 0.00 -4.32 0.69 0.00 1.20 0.00 0.00 173.24 170.81 3i21 s ARG 79 N 8.25 3.20 0.35 5.44 1.70 -0.42 -4.69 118.95 132.78 3i21 s ARG 79 Ca 0.82 -0.29 0.05 0.00 -0.47 0.00 0.00 55.73 55.83 3i21 s ARG 79 Cb -0.06 -2.51 0.69 0.00 -0.57 0.00 0.00 34.95 32.50 3i21 s ARG 79 CO 0.15 -0.23 1.94 -1.35 -1.08 0.00 0.00 175.30 174.72 3i21 h PRO 80 N 0.37 0.80 -0.00 3.89 0.11 -1.94 -0.08 132.00 135.14 3i21 h PRO 80 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i21 h PRO 80 Cb 1.24 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3i21 h PRO 80 CO 0.59 0.53 -0.10 0.41 -0.21 0.00 0.00 178.00 179.22 3i21 n GLY 81 N -1.43 -0.90 2.84 -0.55 0.00 -1.26 -4.53 105.19 99.36 3i21 n GLY 81 Ca 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 3i21 n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i21 s LEU 82 N -2.44 -1.21 0.21 0.99 0.20 -0.16 -5.14 118.68 111.13 3i21 s LEU 82 Ca 0.30 -1.21 -0.30 0.00 0.69 0.00 0.00 54.13 53.61 3i21 s LEU 82 Cb 0.20 1.58 -0.08 0.00 -0.43 0.00 0.00 46.19 47.46 3i21 s LEU 82 CO 0.46 -0.07 1.07 -0.13 -0.29 0.00 0.00 176.35 177.40 3i21 s ARG 83 N 1.17 4.65 -0.11 1.98 1.81 -0.52 -1.30 118.95 126.64 3i21 s ARG 83 Ca 0.25 1.70 0.02 0.00 -1.72 0.00 0.00 55.73 55.98 3i21 s ARG 83 Cb 0.01 -3.26 -0.01 0.00 -0.45 0.00 0.00 34.95 31.25 3i21 s ARG 83 CO -0.07 0.18 -0.18 0.42 -0.68 0.00 0.00 175.30 174.97 3i21 s ILE 84 N -0.62 2.60 -0.02 1.52 -1.09 -1.26 -4.90 121.20 117.43 3i21 s ILE 84 Ca 0.47 -0.83 0.04 0.00 -2.23 0.00 0.00 60.65 58.09 3i21 s ILE 84 Cb -0.29 -2.04 -0.01 0.00 -1.58 0.00 0.00 42.46 38.54 3i21 s ILE 84 CO 0.36 0.55 -0.15 -0.31 -1.23 0.00 0.00 174.94 174.16 3i21 s TYR 85 N 0.23 1.38 -0.05 3.97 1.51 -1.26 -2.84 117.35 120.29 3i21 s TYR 85 Ca -0.12 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.62 3i21 s TYR 85 Cb -0.16 -0.91 0.04 0.00 -0.11 0.00 0.00 41.96 40.82 3i21 s TYR 85 CO 0.06 -0.06 0.10 0.15 -1.11 0.00 0.00 175.55 174.69 3i21 s LYS 86 N -0.20 0.02 1.18 -0.62 1.02 -0.06 -4.99 119.74 116.10 3i21 s LYS 86 Ca 0.03 0.34 -0.17 0.00 0.02 0.00 0.00 55.97 56.19 3i21 s LYS 86 Cb -0.07 -0.25 0.21 0.00 -0.52 0.00 0.00 37.83 37.20 3i21 s LYS 86 CO 0.00 -0.21 0.45 0.54 -0.92 0.00 0.00 175.35 175.22 3i21 n ARG 87 N 4.48 -2.52 0.17 1.68 1.74 -1.26 -2.47 116.66 118.48 3i21 n ARG 87 Ca -0.21 -0.73 0.19 0.00 -0.77 0.00 0.00 57.85 56.32 3i21 n ARG 87 Cb 0.51 -1.82 0.79 0.00 -1.02 0.00 0.00 32.46 30.92 3i21 n ARG 87 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 3i21 h LYS 88 N -2.61 0.00 0.06 5.56 2.10 -1.90 -1.67 116.57 118.11 3i21 h LYS 88 Ca -0.50 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 57.84 3i21 h LYS 88 Cb 1.26 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.56 3i21 h LYS 88 CO 0.36 0.00 -1.74 -0.44 -2.00 0.00 0.00 179.45 175.63 3i21 h ASP 89 N 0.00 0.19 0.00 7.07 5.19 -1.87 -3.35 116.42 123.65 3i21 h ASP 89 Ca 0.13 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 3i21 h ASP 89 Cb 0.83 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.28 3i21 h ASP 89 CO -0.00 1.33 0.00 -0.62 -3.12 0.00 0.00 179.24 176.83 3i21 n GLU 90 N -3.25 0.93 -1.71 3.56 1.02 -0.63 -4.85 120.64 115.71 3i21 n GLU 90 Ca -0.21 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.51 3i21 n GLU 90 Cb 1.05 -1.05 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 3i21 n GLU 90 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3i21 s LEU 91 N -1.10 4.02 0.03 -4.62 1.43 -1.23 -4.90 118.68 112.32 3i21 s LEU 91 Ca 0.04 2.26 -0.30 0.00 -1.03 0.00 0.00 54.13 55.10 3i21 s LEU 91 Cb 0.02 -3.52 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 3i21 s LEU 91 CO 0.03 -1.39 1.32 -2.16 0.23 0.00 0.00 176.35 174.38 3i21 s PRO 92 N 5.14 4.34 -0.39 1.29 0.04 -1.26 -5.02 135.00 139.14 3i21 s PRO 92 Ca 0.90 1.89 -0.09 0.00 0.04 0.00 0.00 61.00 63.75 3i21 s PRO 92 Cb -0.37 -3.45 0.06 0.00 0.04 0.00 0.00 34.50 30.78 3i21 s PRO 92 CO 0.37 -0.45 0.21 -1.59 0.04 0.00 0.00 177.00 175.58 3i21 s LYS 93 N 1.77 2.65 0.33 4.56 0.00 -1.26 -4.69 119.74 123.10 3i21 s LYS 93 Ca 0.61 -1.30 -0.29 0.00 0.00 0.00 0.00 55.97 55.00 3i21 s LYS 93 Cb -0.31 -3.69 -0.10 0.00 0.00 0.00 0.00 37.83 33.73 3i21 s LYS 93 CO 0.27 -0.82 1.36 0.08 0.00 0.00 0.00 175.35 176.24 3i21 s VAL 94 N 1.45 2.58 -1.77 1.79 1.01 -1.08 -2.77 120.40 121.60 3i21 s VAL 94 Ca 0.02 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3i21 s VAL 94 Cb -0.21 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3i21 s VAL 94 CO 0.03 0.13 0.00 0.23 0.00 0.00 0.00 175.10 175.49 3i21 n MET 95 N 0.90 -1.45 -3.38 2.72 2.81 -1.26 -2.48 117.12 114.98 3i21 n MET 95 Ca 0.01 1.02 -0.19 0.00 -1.81 0.00 0.00 57.70 56.73 3i21 n MET 95 Cb 0.41 -5.35 0.01 0.00 -0.71 0.00 0.00 33.22 27.58 3i21 n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i21 n ALA 96 N 1.05 -2.65 0.00 3.04 0.00 -1.12 -4.67 120.51 116.17 3i21 n ALA 96 Ca -0.17 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i21 n ALA 96 Cb 0.58 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3i21 n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i21 n GLY 97 N -1.08 -2.17 5.19 0.00 0.00 -1.03 -4.92 105.19 101.17 3i21 n GLY 97 Ca -0.11 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3i21 n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i21 n LEU 98 N 0.00 0.00 -4.69 0.99 4.32 -1.26 -4.66 117.00 111.70 3i21 n LEU 98 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.57 3i21 n LEU 98 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 3i21 n LEU 98 CO 0.00 0.00 1.16 -0.83 -1.22 0.00 0.00 177.39 176.50 3i21 s GLY 99 N 0.00 1.80 0.47 -0.72 0.00 -1.23 -5.02 107.32 102.62 3i21 s GLY 99 Ca 0.00 0.99 0.08 0.00 0.00 0.00 0.00 44.72 45.80 3i21 s GLY 99 CO 0.00 2.58 0.63 -0.26 0.00 0.00 0.00 173.10 176.05 3i21 s ILE 100 N 2.27 2.72 -0.25 0.90 -5.25 -1.10 -2.63 121.20 117.87 3i21 s ILE 100 Ca 0.66 -1.01 -0.03 0.00 -0.99 0.00 0.00 60.65 59.28 3i21 s ILE 100 Cb -0.34 -2.73 0.13 0.00 2.95 0.00 0.00 42.46 42.47 3i21 s ILE 100 CO 0.28 0.00 0.43 0.00 -1.79 0.00 0.00 174.94 173.86 3i21 s ALA 101 N -2.45 -1.31 0.25 2.27 0.00 -1.26 -2.02 121.76 117.23 3i21 s ALA 101 Ca 0.57 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 53.44 3i21 s ALA 101 Cb -0.08 -1.69 -0.09 0.00 0.00 0.00 0.00 23.12 21.25 3i21 s ALA 101 CO 0.35 -1.17 0.95 0.14 0.00 0.00 0.00 175.76 176.02 3i21 s VAL 102 N 2.62 4.06 0.39 0.00 -7.23 -1.22 -3.13 120.40 115.88 3i21 s VAL 102 Ca 0.11 2.03 0.01 0.00 -1.81 0.00 0.00 61.98 62.32 3i21 s VAL 102 Cb -0.15 -4.27 -0.00 0.00 0.56 0.00 0.00 36.38 32.52 3i21 s VAL 102 CO -0.16 0.45 0.03 1.33 -0.31 0.00 0.00 175.10 176.43 3i21 n VAL 103 N 1.36 0.00 -4.81 1.32 0.24 -0.65 -2.71 118.33 113.07 3i21 n VAL 103 Ca -0.01 -1.90 -0.32 0.00 -2.04 0.00 0.00 64.34 60.06 3i21 n VAL 103 Cb 0.47 0.45 -0.13 0.00 -1.47 0.00 0.00 33.84 33.16 3i21 n VAL 103 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i21 s SER 104 N -3.17 3.93 0.07 -1.34 0.15 -0.15 -2.28 113.70 110.92 3i21 s SER 104 Ca 0.04 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.39 3i21 s SER 104 Cb 0.00 -0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 63.52 3i21 s SER 104 CO 0.03 0.31 -0.01 0.42 1.20 0.00 0.00 173.24 175.19 3i21 s THR 105 N -0.81 0.20 0.23 6.45 -4.23 -0.42 -1.17 115.64 115.89 3i21 s THR 105 Ca 0.13 -1.84 -0.17 0.00 -1.18 0.00 0.00 61.69 58.63 3i21 s THR 105 Cb -0.11 -1.65 0.24 0.00 1.34 0.00 0.00 72.50 72.32 3i21 s THR 105 CO 0.03 -0.86 1.56 0.77 -0.54 0.00 0.00 174.62 175.57 3i21 h SER 106 N 3.08 -1.31 0.00 3.99 4.64 -1.99 -0.62 113.55 121.34 3i21 h SER 106 Ca -0.34 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3i21 h SER 106 Cb 1.16 0.70 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 3i21 h SER 106 CO 0.64 -0.29 0.00 1.17 -0.87 0.00 0.00 176.83 177.48 3i21 n LYS 107 N -5.48 0.00 -2.54 4.77 4.81 -1.26 -4.97 118.16 113.49 3i21 n LYS 107 Ca 0.10 0.60 -0.00 0.00 -0.87 0.00 0.00 58.31 58.13 3i21 n LYS 107 Cb 0.40 -1.19 0.01 0.00 0.02 0.00 0.00 35.03 34.27 3i21 n LYS 107 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i21 n GLY 108 N -0.94 0.83 3.25 3.14 0.00 -0.24 -5.12 105.19 106.10 3i21 n GLY 108 Ca 0.00 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 3i21 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i21 s VAL 109 N -2.27 4.66 0.00 1.61 1.01 -1.26 -1.30 120.40 122.85 3i21 s VAL 109 Ca 0.10 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.28 3i21 s VAL 109 Cb -0.01 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.35 3i21 s VAL 109 CO 0.01 -0.84 0.00 1.15 0.00 0.00 0.00 175.10 175.43 3i21 n MET 110 N 4.87 0.00 -2.36 2.72 3.85 -0.96 -4.83 117.12 120.41 3i21 n MET 110 Ca -0.07 0.00 -0.37 0.00 -1.00 0.00 0.00 57.70 56.26 3i21 n MET 110 Cb 0.41 0.00 -0.02 0.00 -1.05 0.00 0.00 33.22 32.56 3i21 n MET 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3i21 s THR 111 N -1.21 3.33 0.21 3.17 2.01 -1.26 -1.64 115.64 120.24 3i21 s THR 111 Ca 0.00 1.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.91 3i21 s THR 111 Cb 0.00 -3.52 0.15 0.00 0.01 0.00 0.00 72.50 69.13 3i21 s THR 111 CO 0.00 0.00 1.86 -0.78 -0.69 0.00 0.00 174.62 175.01 3i21 h ASP 112 N 2.26 0.77 -0.50 3.53 -0.00 -1.90 0.31 116.42 120.89 3i21 h ASP 112 Ca -0.49 -0.01 0.09 0.00 -0.00 0.00 0.00 57.03 56.63 3i21 h ASP 112 Cb 1.23 -0.18 -0.08 0.00 -0.00 0.00 0.00 39.33 40.31 3i21 h ASP 112 CO 0.61 0.54 0.03 -0.09 -0.00 0.00 0.00 179.24 180.34 3i21 h ARG 113 N 0.91 0.15 -0.07 0.28 1.12 -1.92 0.79 114.38 115.64 3i21 h ARG 113 Ca 0.28 -0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 59.04 3i21 h ARG 113 Cb -0.03 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 3i21 h ARG 113 CO -0.09 0.10 -0.41 0.00 -3.11 0.00 0.00 179.97 176.46 3i21 h ALA 114 N 1.43 1.18 0.16 2.80 0.00 -1.57 -1.30 119.26 121.96 3i21 h ALA 114 Ca 0.25 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3i21 h ALA 114 Cb 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i21 h ALA 114 CO -0.39 0.57 -0.08 0.00 0.00 0.00 0.00 179.25 179.35 3i21 h ALA 115 N 1.45 -0.54 -1.12 0.00 0.00 0.83 -3.15 119.26 116.73 3i21 h ALA 115 Ca 0.01 -0.05 0.42 0.00 0.00 0.00 0.00 54.91 55.30 3i21 h ALA 115 Cb 0.78 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.51 3i21 h ALA 115 CO 0.06 -0.53 0.67 0.54 0.00 0.00 0.00 179.25 179.99 3i21 n ARG 116 N -3.03 -0.04 -0.21 0.00 1.74 0.26 -0.25 116.66 115.13 3i21 n ARG 116 Ca -0.03 1.23 0.01 0.00 -0.77 0.00 0.00 57.85 58.29 3i21 n ARG 116 Cb 0.08 -2.31 0.11 0.00 -1.02 0.00 0.00 32.46 29.32 3i21 n ARG 116 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3i21 h GLN 117 N 0.00 0.12 -0.40 5.56 4.15 -1.19 -1.33 115.11 122.03 3i21 h GLN 117 Ca 0.81 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 60.15 3i21 h GLN 117 Cb 2.39 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 30.01 3i21 h GLN 117 CO -0.57 0.08 0.04 0.00 -1.93 0.00 0.00 178.83 176.45 3i21 n ALA 118 N -2.80 3.59 -3.54 3.38 0.00 0.66 -4.99 120.51 116.80 3i21 n ALA 118 Ca 0.09 -2.41 -0.20 0.00 0.00 0.00 0.00 53.44 50.92 3i21 n ALA 118 Cb 0.36 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 18.97 3i21 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i21 n GLY 119 N -0.43 -1.18 3.46 0.00 0.00 -0.50 -4.99 105.19 101.56 3i21 n GLY 119 Ca 0.28 0.51 -0.33 0.00 0.00 0.00 0.00 46.02 46.48 3i21 n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i21 s LEU 120 N -5.25 2.78 0.09 0.99 1.43 -1.17 -4.90 118.68 112.66 3i21 s LEU 120 Ca 0.17 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 3i21 s LEU 120 Cb -0.06 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3i21 s LEU 120 CO 0.84 0.30 0.11 -0.83 0.23 0.00 0.00 176.35 177.00 3i21 s GLY 121 N -0.44 1.98 0.00 -3.19 0.00 -1.26 -4.13 107.32 100.28 3i21 s GLY 121 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.74 3i21 s GLY 121 CO 0.02 -1.02 0.00 0.61 0.00 0.00 0.00 173.10 172.71 3i21 n GLY 122 N 0.27 1.41 3.31 0.20 0.00 -1.03 -4.26 105.19 105.08 3i21 n GLY 122 Ca -0.08 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 3i21 n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i21 s GLU 123 N 1.28 3.37 1.13 1.61 2.12 -0.31 -0.88 118.70 127.01 3i21 s GLU 123 Ca 0.00 -0.63 -0.17 0.00 0.36 0.00 0.00 54.97 54.53 3i21 s GLU 123 Cb 0.00 -2.99 0.15 0.00 0.26 0.00 0.00 34.13 31.55 3i21 s GLU 123 CO 0.00 -0.19 0.23 -0.89 -0.54 0.00 0.00 175.26 173.88 3i21 n ILE 124 N 4.76 0.00 0.17 -3.70 2.08 -1.13 -0.97 119.36 120.56 3i21 n ILE 124 Ca -0.18 -0.33 0.00 0.00 0.56 0.00 0.00 62.75 62.80 3i21 n ILE 124 Cb 0.51 -0.69 0.00 0.00 -0.75 0.00 0.00 39.64 38.71 3i21 n ILE 124 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3i21 n ILE 125 N -4.54 0.00 -3.60 1.39 5.41 -1.10 -3.97 119.36 112.96 3i21 n ILE 125 Ca 0.01 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.62 3i21 n ILE 125 Cb 0.60 -0.38 -0.06 0.00 -0.71 0.00 0.00 39.64 39.10 3i21 n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i21 n TYR 127 N 0.62 3.69 -1.85 0.00 4.02 -1.21 -3.38 117.16 119.05 3i21 n TYR 127 Ca -0.19 -3.76 -0.32 0.00 -0.01 0.00 0.00 57.90 53.62 3i21 n TYR 127 Cb 0.59 -1.07 -0.04 0.00 -0.02 0.00 0.00 39.34 38.80 3i21 n TYR 127 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3i21 s VAL 128 N -1.96 3.23 -2.91 -0.72 1.01 -0.86 -2.95 120.40 115.25 3i21 s VAL 128 Ca 0.31 0.01 0.25 0.00 0.00 0.00 0.00 61.98 62.55 3i21 s VAL 128 Cb 0.01 -3.58 0.26 0.00 0.00 0.00 0.00 36.38 33.06 3i21 s VAL 128 CO -0.04 -0.56 1.35 0.00 0.00 0.00 0.00 175.10 175.85