#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thn s ASN 3 N 0.00 0.18 0.14 6.15 2.47 -1.01 -5.02 114.94 117.86 1thn s ASN 3 Ca 0.00 -0.87 -0.13 0.00 0.42 0.00 0.00 52.86 52.28 1thn s ASN 3 Cb 0.00 0.34 0.02 0.00 -1.45 0.00 0.00 41.25 40.16 1thn s ASN 3 CO 0.00 -0.76 0.36 -1.83 -3.72 0.00 0.00 177.10 171.15 1thn s GLU 4 N -3.93 1.09 0.00 0.43 -1.05 -1.26 -1.13 118.70 112.84 1thn s GLU 4 Ca 0.12 -0.87 -0.13 0.00 -0.15 0.00 0.00 54.97 53.94 1thn s GLU 4 Cb 0.05 0.43 0.02 0.00 -0.44 0.00 0.00 34.13 34.20 1thn s GLU 4 CO -0.05 -0.42 0.28 1.41 0.95 0.00 0.00 175.26 177.43 1thn s MET 5 N -3.86 0.67 -0.05 -4.83 1.75 0.04 -4.99 119.30 108.03 1thn s MET 5 Ca 0.07 -0.30 -0.02 0.00 -1.25 0.00 0.00 55.69 54.19 1thn s MET 5 Cb 0.02 0.29 0.03 0.00 2.84 0.00 0.00 34.83 38.02 1thn s MET 5 CO -0.08 -0.19 0.08 -1.01 -0.65 0.00 0.00 175.02 173.17 1thn s HIS 6 N -1.62 0.02 0.18 4.11 3.76 -1.26 -0.41 115.29 120.08 1thn s HIS 6 Ca -0.12 0.30 0.09 0.00 -0.15 0.00 0.00 55.06 55.18 1thn s HIS 6 Cb -0.05 -0.45 -0.04 0.00 1.11 0.00 0.00 32.58 33.15 1thn s HIS 6 CO 0.02 -0.22 -0.09 -1.17 -0.85 0.00 0.00 174.74 172.43 1thn s LEU 7 N 2.19 2.98 -0.13 0.89 2.96 -0.40 -5.00 118.68 122.17 1thn s LEU 7 Ca 0.05 -0.57 -0.22 0.00 -0.22 0.00 0.00 54.13 53.17 1thn s LEU 7 Cb -0.12 -1.67 0.05 0.00 0.50 0.00 0.00 46.19 44.95 1thn s LEU 7 CO -0.04 0.11 0.55 -1.10 -1.32 0.00 0.00 176.35 174.55 1thn s GLN 8 N -2.81 0.78 0.02 1.98 1.11 -1.26 -1.47 119.66 118.01 1thn s GLN 8 Ca 0.25 0.45 -0.28 0.00 0.01 0.00 0.00 55.36 55.78 1thn s GLN 8 Cb -0.09 0.37 0.10 0.00 -1.01 0.00 0.00 33.01 32.38 1thn s GLN 8 CO 0.15 -0.17 0.93 -0.59 0.01 0.00 0.00 175.29 175.62 1thn s PHE 9 N -0.45 -0.28 0.56 0.91 -0.12 -1.02 -4.98 117.98 112.61 1thn s PHE 9 Ca -0.06 0.12 -0.19 0.00 -0.05 0.00 0.00 56.93 56.75 1thn s PHE 9 Cb -0.03 0.56 -0.07 0.00 -0.63 0.00 0.00 43.02 42.85 1thn s PHE 9 CO 0.04 -0.58 0.81 0.43 -0.05 0.00 0.00 175.22 175.87 1thn n SER 10 N -0.29 0.18 -2.40 1.98 7.64 -1.26 -2.12 113.62 117.34 1thn n SER 10 Ca -0.08 0.81 -0.21 0.00 1.01 0.00 0.00 58.87 60.40 1thn n SER 10 Cb 0.61 -1.30 -0.11 0.00 -1.01 0.00 0.00 64.21 62.40 1thn n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1thn n ALA 11 N -1.55 6.57 -2.88 -0.43 0.00 -0.26 -4.73 120.51 117.22 1thn n ALA 11 Ca 0.12 -2.54 -0.32 0.00 0.00 0.00 0.00 53.44 50.71 1thn n ALA 11 Cb 0.46 -2.42 -0.04 0.00 0.00 0.00 0.00 19.45 17.45 1thn n ALA 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1thn s ARG 12 N 0.19 3.46 0.31 0.00 0.52 -1.26 -3.96 118.95 118.21 1thn s ARG 12 Ca 0.64 -0.35 0.08 0.00 -0.52 0.00 0.00 55.73 55.59 1thn s ARG 12 Cb 0.31 -3.04 0.52 0.00 0.52 0.00 0.00 34.95 33.26 1thn s ARG 12 CO -0.08 0.62 1.73 0.66 0.02 0.00 0.00 175.30 178.25 1thn h SER 13 N 3.35 0.17 0.00 0.23 4.64 -1.95 -3.09 113.55 116.90 1thn h SER 13 Ca -0.47 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1thn h SER 13 Cb 1.17 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1thn h SER 13 CO 0.73 0.56 0.00 -1.84 -0.87 0.00 0.00 176.83 175.41 1thn n GLU 14 N -4.03 0.64 0.00 4.77 0.00 -1.26 -2.11 120.64 118.65 1thn n GLU 14 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.14 1thn n GLU 14 Cb 0.46 -1.20 0.00 0.00 0.00 0.00 0.00 31.44 30.70 1thn n GLU 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1thn n ASN 15 N 0.60 2.48 0.06 -1.84 4.13 -1.17 -4.77 115.26 114.75 1thn n ASN 15 Ca 0.00 -0.16 0.16 0.00 1.68 0.00 0.00 54.58 56.26 1thn n ASN 15 Cb 0.30 0.83 0.66 0.00 -1.54 0.00 0.00 39.78 40.02 1thn n ASN 15 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1thn h GLU 16 N 0.00 0.04 0.07 3.52 5.08 -1.62 -0.63 114.58 121.04 1thn h GLU 16 Ca 0.00 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1thn h GLU 16 Cb 0.00 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.26 1thn h GLU 16 CO 0.00 0.03 -0.61 1.03 -1.00 0.00 0.00 179.01 178.45 1thn h SER 17 N 0.04 0.41 -0.81 1.42 0.87 -1.86 -3.12 113.55 110.51 1thn h SER 17 Ca 0.19 -0.88 0.10 0.00 -1.23 0.00 0.00 61.79 59.96 1thn h SER 17 Cb 0.71 -0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.47 1thn h SER 17 CO -0.01 1.26 0.45 0.15 -0.53 0.00 0.00 176.83 178.15 1thn h PHE 18 N -0.37 0.82 0.32 2.24 3.57 -1.75 -0.15 116.94 121.62 1thn h PHE 18 Ca -0.10 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1thn h PHE 18 Cb 1.42 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1thn h PHE 18 CO 0.19 0.33 -0.49 0.00 -2.23 0.00 0.00 178.31 176.10 1thn h ALA 19 N 1.45 -1.07 0.26 2.41 0.00 -1.17 0.51 119.26 121.65 1thn h ALA 19 Ca 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1thn h ALA 19 Cb 0.37 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1thn h ALA 19 CO -0.25 -1.14 -0.46 0.00 0.00 0.00 0.00 179.25 177.40 1thn h ARG 20 N -0.85 -0.73 -0.86 0.00 3.08 -1.41 -2.18 114.38 111.42 1thn h ARG 20 Ca -0.04 0.05 0.22 0.00 0.07 0.00 0.00 59.98 60.29 1thn h ARG 20 Cb 0.78 0.17 -0.14 0.00 0.08 0.00 0.00 29.97 30.86 1thn h ARG 20 CO -0.15 -0.49 0.17 0.28 -1.07 0.00 0.00 179.97 178.71 1thn h VAL 21 N -0.76 0.30 0.00 2.04 2.07 -0.86 0.59 116.25 119.63 1thn h VAL 21 Ca -0.03 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1thn h VAL 21 Cb 0.71 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1thn h VAL 21 CO -0.17 0.03 -0.09 0.74 0.02 0.00 0.00 177.57 178.11 1thn h THR 22 N 0.17 0.23 0.04 2.57 2.02 0.27 0.10 112.91 118.31 1thn h THR 22 Ca 0.52 -0.77 -0.16 0.00 0.77 0.00 0.00 66.41 66.77 1thn h THR 22 Cb 1.03 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 1thn h THR 22 CO -0.68 0.09 -0.84 0.58 0.37 0.00 0.00 175.52 175.05 1thn h VAL 23 N 0.00 1.30 -0.58 3.16 2.07 0.53 -3.09 116.25 119.63 1thn h VAL 23 Ca -0.00 -2.33 0.07 0.00 0.82 0.00 0.00 66.70 65.26 1thn h VAL 23 Cb 0.62 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.19 1thn h VAL 23 CO 0.01 0.55 0.39 0.00 0.02 0.00 0.00 177.57 178.54 1thn h ALA 24 N -0.16 1.86 -0.19 1.67 0.00 0.02 0.74 119.26 123.20 1thn h ALA 24 Ca -0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1thn h ALA 24 Cb 1.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1thn h ALA 24 CO -0.04 0.04 -0.05 0.00 0.00 0.00 0.00 179.25 179.21 1thn h ALA 25 N 1.69 1.57 0.13 0.00 0.00 -0.86 -1.77 119.26 120.02 1thn h ALA 25 Ca 0.25 -0.16 -0.32 0.00 0.00 0.00 0.00 54.91 54.68 1thn h ALA 25 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1thn h ALA 25 CO -0.07 0.31 -1.67 0.35 0.00 0.00 0.00 179.25 178.17 1thn h PHE 26 N 0.27 0.49 0.00 0.00 3.57 -0.28 -3.34 116.94 117.66 1thn h PHE 26 Ca 0.06 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1thn h PHE 26 Cb 0.27 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1thn h PHE 26 CO 0.00 1.66 0.00 0.28 -2.23 0.00 0.00 178.31 178.02 1thn n VAL 27 N -3.74 1.15 0.06 1.41 0.31 0.22 -3.39 118.33 114.35 1thn n VAL 27 Ca -0.28 0.30 -0.03 0.00 -0.01 0.00 0.00 64.34 64.32 1thn n VAL 27 Cb 0.97 -1.12 0.20 0.00 -0.91 0.00 0.00 33.84 32.98 1thn n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1thn h ALA 28 N 2.38 1.06 -1.03 3.52 0.00 -1.45 -3.25 119.26 120.49 1thn h ALA 28 Ca 0.00 -0.40 0.33 0.00 0.00 0.00 0.00 54.91 54.84 1thn h ALA 28 Cb 0.21 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.76 1thn h ALA 28 CO 0.00 0.59 0.60 -0.56 0.00 0.00 0.00 179.25 179.88 1thn h GLN 29 N 0.28 0.30 0.00 0.00 3.07 -1.80 0.89 115.11 117.85 1thn h GLN 29 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1thn h GLN 29 Cb 0.80 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.30 1thn h GLN 29 CO 0.06 0.20 0.00 -0.07 0.09 0.00 0.00 178.83 179.11 1thn h LEU 30 N 0.31 0.00 -2.47 0.06 3.38 -1.84 -3.46 115.31 111.28 1thn h LEU 30 Ca 0.74 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.63 1thn h LEU 30 Cb 1.75 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.56 1thn h LEU 30 CO -0.58 0.00 -0.26 0.47 0.09 0.00 0.00 178.44 178.16 1thn n ASP 31 N -2.71 -6.72 -4.04 -0.43 9.92 0.31 -5.02 116.55 107.85 1thn n ASP 31 Ca -0.02 -0.26 -0.30 0.00 -0.53 0.00 0.00 54.79 53.68 1thn n ASP 31 Cb 0.06 -4.72 0.20 0.00 -0.64 0.00 0.00 41.12 36.02 1thn n ASP 31 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1thn s PRO 32 N -3.42 0.43 0.33 -0.24 0.04 -1.26 -5.07 135.00 125.80 1thn s PRO 32 Ca 0.14 -0.45 -0.15 0.00 0.04 0.00 0.00 61.00 60.59 1thn s PRO 32 Cb -0.02 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 1thn s PRO 32 CO 0.65 -2.55 0.74 0.99 0.04 0.00 0.00 177.00 176.87 1thn s THR 33 N -3.89 4.69 0.30 1.26 2.01 -1.26 -4.99 115.64 113.76 1thn s THR 33 Ca 0.75 0.92 0.03 0.00 0.31 0.00 0.00 61.69 63.70 1thn s THR 33 Cb -0.03 -3.62 0.11 0.00 0.01 0.00 0.00 72.50 68.97 1thn s THR 33 CO 0.53 -0.21 1.78 0.24 -0.69 0.00 0.00 174.62 176.27 1thn h MET 34 N 2.17 0.54 0.00 4.92 0.00 -1.99 -1.75 114.93 118.82 1thn h MET 34 Ca -0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 59.70 59.05 1thn h MET 34 Cb 1.18 -0.05 -0.00 0.00 0.00 0.00 0.00 31.60 32.72 1thn h MET 34 CO 0.65 0.66 -0.07 -0.44 0.00 0.00 0.00 176.91 177.72 1thn h ASP 35 N 0.50 0.00 0.46 1.22 3.32 -1.99 0.32 116.42 120.25 1thn h ASP 35 Ca 0.09 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1thn h ASP 35 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1thn h ASP 35 CO 0.03 0.07 -0.31 -0.33 -1.72 0.00 0.00 179.24 176.98 1thn h GLU 36 N 0.00 0.00 0.00 3.56 5.08 -1.71 -0.05 114.58 121.46 1thn h GLU 36 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1thn h GLU 36 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1thn h GLU 36 CO 0.01 0.31 -1.25 1.25 -1.00 0.00 0.00 179.01 178.32 1thn h LEU 37 N 0.00 0.00 -0.16 1.33 5.85 -0.24 -2.94 115.31 119.15 1thn h LEU 37 Ca -0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1thn h LEU 37 Cb 0.62 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.66 1thn h LEU 37 CO 0.04 0.61 -0.55 0.74 -0.34 0.00 0.00 178.44 178.94 1thn h THR 38 N 0.00 1.32 -0.18 1.05 2.02 -0.25 -1.40 112.91 115.47 1thn h THR 38 Ca -0.14 -1.80 -0.00 0.00 0.77 0.00 0.00 66.41 65.24 1thn h THR 38 Cb 1.59 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.98 1thn h THR 38 CO 0.06 0.56 0.11 -0.33 0.37 0.00 0.00 175.52 176.28 1thn h GLU 39 N 0.34 0.24 -0.26 6.66 5.08 -1.12 -0.87 114.58 124.64 1thn h GLU 39 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1thn h GLU 39 Cb 1.18 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1thn h GLU 39 CO 0.12 0.19 0.14 0.82 -1.00 0.00 0.00 179.01 179.28 1thn h ILE 40 N 0.22 1.13 -0.83 3.13 2.04 -1.48 0.14 117.51 121.85 1thn h ILE 40 Ca 0.06 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1thn h ILE 40 Cb 0.01 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1thn h ILE 40 CO -0.01 0.13 0.41 0.11 0.00 0.00 0.00 178.15 178.78 1thn h LYS 41 N 0.30 1.19 0.48 2.37 6.56 -1.15 -0.13 116.57 126.19 1thn h LYS 41 Ca 0.09 -0.17 -0.02 0.00 -1.06 0.00 0.00 60.65 59.49 1thn h LYS 41 Cb 0.08 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.52 1thn h LYS 41 CO -0.01 0.90 -0.23 1.15 -2.06 0.00 0.00 179.45 179.20 1thn h THR 42 N 1.18 0.40 -0.36 -0.16 2.02 -0.90 -0.09 112.91 115.00 1thn h THR 42 Ca 0.29 -0.43 0.05 0.00 0.77 0.00 0.00 66.41 67.08 1thn h THR 42 Cb 0.10 0.55 -0.08 0.00 -1.74 0.00 0.00 68.15 66.98 1thn h THR 42 CO -0.04 0.06 -0.56 0.58 0.37 0.00 0.00 175.52 175.93 1thn h VAL 43 N -0.95 0.00 -0.64 3.16 2.07 -0.64 0.17 116.25 119.42 1thn h VAL 43 Ca -0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.59 1thn h VAL 43 Cb 0.60 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.26 1thn h VAL 43 CO 0.11 0.00 0.06 0.58 0.02 0.00 0.00 177.57 178.34 1thn h VAL 44 N -0.44 0.52 -0.40 2.57 2.07 -1.03 0.56 116.25 120.10 1thn h VAL 44 Ca 0.06 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1thn h VAL 44 Cb 0.61 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1thn h VAL 44 CO -0.57 0.03 0.23 -1.28 0.02 0.00 0.00 177.57 176.01 1thn h SER 45 N 0.18 0.48 -0.06 0.57 0.87 0.10 -0.37 113.55 115.32 1thn h SER 45 Ca 0.34 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.82 1thn h SER 45 Cb 0.56 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1thn h SER 45 CO -0.50 0.38 -0.19 -0.33 -0.53 0.00 0.00 176.83 175.66 1thn h GLU 46 N 0.55 0.24 0.10 2.24 4.39 0.15 -1.81 114.58 120.44 1thn h GLU 46 Ca 0.15 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1thn h GLU 46 Cb -0.00 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1thn h GLU 46 CO -0.03 0.79 -0.05 0.00 -1.16 0.00 0.00 179.01 178.56 1thn h ALA 47 N 0.45 -0.13 -0.52 3.43 0.00 -1.07 -1.10 119.26 120.32 1thn h ALA 47 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1thn h ALA 47 Cb 0.80 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1thn h ALA 47 CO 0.04 -0.51 0.28 0.28 0.00 0.00 0.00 179.25 179.35 1thn h VAL 48 N -0.27 1.16 -0.49 0.00 2.07 -1.17 -1.56 116.25 115.99 1thn h VAL 48 Ca -0.01 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 66.99 1thn h VAL 48 Cb 0.23 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1thn h VAL 48 CO 0.02 0.17 -0.16 0.71 0.02 0.00 0.00 177.57 178.33 1thn h THR 49 N 0.72 1.27 0.18 2.57 1.35 -1.08 -2.29 112.91 115.63 1thn h THR 49 Ca 0.18 -1.31 0.01 0.00 -0.55 0.00 0.00 66.41 64.74 1thn h THR 49 Cb 0.02 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.47 1thn h THR 49 CO -0.03 0.45 -0.24 0.78 -0.25 0.00 0.00 175.52 176.24 1thn h ASN 50 N 0.84 -0.65 -0.33 5.36 2.35 -0.27 -1.97 115.58 120.92 1thn h ASN 50 Ca 0.12 0.07 0.07 0.00 -0.55 0.00 0.00 56.30 56.01 1thn h ASN 50 Cb 0.72 0.23 -0.08 0.00 0.05 0.00 0.00 38.32 39.24 1thn h ASN 50 CO 0.06 -0.34 -0.35 0.00 -1.65 0.00 0.00 177.43 175.15 1thn h ALA 51 N 0.24 -0.29 0.60 -0.83 0.00 -1.19 0.25 119.26 118.05 1thn h ALA 51 Ca 0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1thn h ALA 51 Cb 0.47 0.72 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1thn h ALA 51 CO -0.09 -0.77 -0.29 0.82 0.00 0.00 0.00 179.25 178.92 1thn h ILE 52 N -0.31 0.00 0.00 0.00 2.04 -1.31 0.79 117.51 118.72 1thn h ILE 52 Ca 0.14 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 1thn h ILE 52 Cb 0.55 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1thn h ILE 52 CO -0.50 0.00 -0.40 -0.29 0.00 0.00 0.00 178.15 176.97 1thn h ILE 53 N -1.09 1.17 0.00 -0.67 2.10 -1.40 1.13 117.51 118.74 1thn h ILE 53 Ca -0.08 -1.42 0.00 0.00 1.08 0.00 0.00 64.86 64.44 1thn h ILE 53 Cb 0.62 1.79 0.00 0.00 -1.09 0.00 0.00 36.82 38.13 1thn h ILE 53 CO 0.13 0.39 0.00 1.41 -1.08 0.00 0.00 178.15 179.00 1thn n HIS 54 N -3.90 0.00 -0.14 2.19 8.25 0.83 -3.79 115.22 118.66 1thn n HIS 54 Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 1thn n HIS 54 Cb 0.45 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.69 1thn n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1thn n GLY 55 N 3.59 -0.56 0.72 -1.41 0.00 -0.81 0.23 105.19 106.95 1thn n GLY 55 Ca 0.00 0.41 0.07 0.00 0.00 0.00 0.00 46.02 46.50 1thn n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1thn n TYR 56 N -4.42 0.35 -4.32 1.61 4.02 0.27 -2.70 117.16 111.98 1thn n TYR 56 Ca 0.10 -0.30 -0.34 0.00 -0.01 0.00 0.00 57.90 57.35 1thn n TYR 56 Cb 0.33 -0.01 -0.07 0.00 -0.02 0.00 0.00 39.34 39.56 1thn n TYR 56 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1thn n ASN 57 N 0.80 -0.64 -0.46 7.72 3.02 0.61 0.88 115.26 127.21 1thn n ASN 57 Ca 0.12 -1.19 -0.06 0.00 -0.03 0.00 0.00 54.58 53.42 1thn n ASN 57 Cb 0.43 -1.98 -0.03 0.00 -0.61 0.00 0.00 39.78 37.59 1thn n ASN 57 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1thn n ASN 58 N -2.75 -5.64 -4.60 6.41 3.02 0.38 -4.93 115.26 107.15 1thn n ASN 58 Ca -0.14 0.15 -0.43 0.00 -0.03 0.00 0.00 54.58 54.13 1thn n ASN 58 Cb 0.60 -3.66 -0.02 0.00 -0.61 0.00 0.00 39.78 36.08 1thn n ASN 58 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1thn s ASP 59 N -2.25 6.21 0.64 6.41 2.15 0.25 -4.87 116.67 125.22 1thn s ASP 59 Ca 0.00 1.01 0.31 0.00 0.43 0.00 0.00 52.55 54.30 1thn s ASP 59 Cb 0.00 -2.54 1.67 0.00 -0.30 0.00 0.00 42.92 41.75 1thn s ASP 59 CO 0.00 -1.50 1.97 1.55 -0.17 0.00 0.00 175.17 177.02 1thn h PRO 60 N 11.32 0.00 -0.12 4.34 0.13 -1.86 -2.30 132.00 143.51 1thn h PRO 60 Ca -0.30 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.69 1thn h PRO 60 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1thn h PRO 60 CO 1.06 0.00 -0.54 -0.91 -0.23 0.00 0.00 178.00 177.39 1thn h ASN 61 N 0.00 0.38 -3.27 1.44 2.35 -1.89 -2.28 115.58 112.30 1thn h ASN 61 Ca 0.05 -0.20 -0.56 0.00 -0.55 0.00 0.00 56.30 55.04 1thn h ASN 61 Cb 0.69 -0.11 0.19 0.00 0.05 0.00 0.00 38.32 39.14 1thn h ASN 61 CO -0.00 0.84 -0.36 0.61 -1.65 0.00 0.00 177.43 176.87 1thn n GLY 62 N 0.15 -1.47 3.08 2.83 0.00 -0.87 -4.68 105.19 104.23 1thn n GLY 62 Ca -0.02 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 1thn n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1thn s ILE 63 N -1.93 2.21 0.20 -0.61 -1.09 -1.26 -1.10 121.20 117.62 1thn s ILE 63 Ca 0.66 -1.59 -0.30 0.00 -2.23 0.00 0.00 60.65 57.18 1thn s ILE 63 Cb -0.34 -2.29 -0.08 0.00 -1.58 0.00 0.00 42.46 38.17 1thn s ILE 63 CO 0.58 -0.01 1.01 -0.69 -1.23 0.00 0.00 174.94 174.60 1thn s VAL 64 N 1.12 4.00 -0.38 2.92 1.01 -0.90 -4.67 120.40 123.50 1thn s VAL 64 Ca -0.08 1.86 0.02 0.00 0.00 0.00 0.00 61.98 63.78 1thn s VAL 64 Cb -0.20 -4.19 0.11 0.00 0.00 0.00 0.00 36.38 32.11 1thn s VAL 64 CO -0.05 0.38 0.14 -0.55 0.00 0.00 0.00 175.10 175.02 1thn s SER 65 N -0.61 4.25 0.32 3.32 0.15 -0.71 -2.42 113.70 117.99 1thn s SER 65 Ca 0.45 -2.26 -0.02 0.00 0.70 0.00 0.00 55.95 54.82 1thn s SER 65 Cb -0.27 -1.30 -0.04 0.00 -1.71 0.00 0.00 66.02 62.70 1thn s SER 65 CO 0.34 -0.34 0.55 -0.63 1.20 0.00 0.00 173.24 174.36 1thn s ILE 66 N 0.78 5.06 -0.21 6.45 1.01 -0.54 -1.66 121.20 132.09 1thn s ILE 66 Ca 0.13 -0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.46 1thn s ILE 66 Cb -0.21 -3.79 0.06 0.00 0.01 0.00 0.00 42.46 38.53 1thn s ILE 66 CO -0.10 -0.44 0.54 -0.44 0.00 0.00 0.00 174.94 174.51 1thn s SER 67 N -3.56 -0.66 -0.11 3.58 0.01 -0.68 -1.27 113.70 111.01 1thn s SER 67 Ca 0.42 1.14 0.03 0.00 1.31 0.00 0.00 55.95 58.86 1thn s SER 67 Cb -0.10 1.07 0.01 0.00 0.21 0.00 0.00 66.02 67.21 1thn s SER 67 CO 0.33 -0.20 -0.22 -0.69 0.41 0.00 0.00 173.24 172.87 1thn s VAL 68 N 1.04 1.96 -0.11 3.43 1.01 0.46 -0.87 120.40 127.31 1thn s VAL 68 Ca -0.06 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1thn s VAL 68 Cb -0.06 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1thn s VAL 68 CO -0.10 0.53 -0.19 -0.63 0.00 0.00 0.00 175.10 174.72 1thn s ILE 69 N 0.59 1.78 0.00 2.22 -1.09 -0.90 -0.78 121.20 123.03 1thn s ILE 69 Ca -0.13 -0.83 0.08 0.00 -2.23 0.00 0.00 60.65 57.54 1thn s ILE 69 Cb -0.17 -1.59 -0.02 0.00 -1.58 0.00 0.00 42.46 39.10 1thn s ILE 69 CO 0.04 0.50 -0.25 -0.63 -1.23 0.00 0.00 174.94 173.36 1thn s ILE 70 N 0.77 2.16 -0.27 2.92 1.01 -0.29 -0.57 121.20 126.94 1thn s ILE 70 Ca -0.10 -1.20 -0.26 0.00 0.00 0.00 0.00 60.65 59.10 1thn s ILE 70 Cb -0.16 -1.79 0.14 0.00 0.01 0.00 0.00 42.46 40.66 1thn s ILE 70 CO 0.01 0.49 1.11 -0.70 0.00 0.00 0.00 174.94 175.86 1thn s GLU 71 N -0.88 0.42 -0.45 2.79 2.12 -1.04 -2.40 118.70 119.27 1thn s GLU 71 Ca 0.11 0.42 -0.03 0.00 0.36 0.00 0.00 54.97 55.83 1thn s GLU 71 Cb -0.10 0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.52 1thn s GLU 71 CO 0.00 -0.07 0.09 -0.25 -0.54 0.00 0.00 175.26 174.50 1thn n ASP 72 N 1.83 -1.74 0.00 -1.70 8.00 -1.26 -1.48 116.55 120.21 1thn n ASP 72 Ca -0.11 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1thn n ASP 72 Cb 0.56 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 1thn n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1thn n GLY 73 N -0.65 2.55 3.72 0.44 0.00 -1.26 -5.03 105.19 104.96 1thn n GLY 73 Ca -0.01 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1thn n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1thn s VAL 74 N -0.36 2.44 -0.08 1.61 -7.23 -0.55 -5.00 120.40 111.23 1thn s VAL 74 Ca 0.00 0.19 0.01 0.00 -1.81 0.00 0.00 61.98 60.38 1thn s VAL 74 Cb 0.00 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 1thn s VAL 74 CO 0.00 -0.13 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.85 1thn s VAL 75 N -2.21 3.23 -0.48 1.32 1.01 -0.17 -2.49 120.40 120.61 1thn s VAL 75 Ca 0.71 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1thn s VAL 75 Cb -0.26 -2.32 0.14 0.00 0.00 0.00 0.00 36.38 33.94 1thn s VAL 75 CO 0.48 0.57 0.27 -1.00 0.00 0.00 0.00 175.10 175.41 1thn s HIS 76 N -0.34 2.48 -0.00 5.22 3.76 0.27 -1.14 115.29 125.54 1thn s HIS 76 Ca 0.04 -2.75 -0.22 0.00 -0.15 0.00 0.00 55.06 51.98 1thn s HIS 76 Cb -0.13 -2.24 -0.05 0.00 1.11 0.00 0.00 32.58 31.27 1thn s HIS 76 CO 0.02 -0.75 0.64 -1.17 -0.85 0.00 0.00 174.74 172.63 1thn s LEU 77 N -0.01 4.41 0.11 0.89 2.96 -0.63 -2.11 118.68 124.31 1thn s LEU 77 Ca 0.18 1.22 0.08 0.00 -0.22 0.00 0.00 54.13 55.39 1thn s LEU 77 Cb -0.23 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 1thn s LEU 77 CO -0.02 0.06 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.99 1thn s THR 78 N -0.06 1.64 -0.13 3.68 2.01 -0.05 -1.67 115.64 121.05 1thn s THR 78 Ca 0.33 -1.57 -0.05 0.00 0.31 0.00 0.00 61.69 60.71 1thn s THR 78 Cb -0.19 -1.53 0.06 0.00 0.01 0.00 0.00 72.50 70.85 1thn s THR 78 CO 0.18 -0.12 0.29 -0.69 -0.69 0.00 0.00 174.62 173.59 1thn s VAL 79 N -1.32 -0.34 0.15 3.82 1.01 -0.43 -1.69 120.40 121.61 1thn s VAL 79 Ca 0.07 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.32 1thn s VAL 79 Cb -0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1thn s VAL 79 CO 0.04 0.10 -0.11 0.00 0.00 0.00 0.00 175.10 175.13 1thn s ARG 80 N 2.13 1.07 0.14 2.72 1.70 -0.67 0.29 118.95 126.34 1thn s ARG 80 Ca -0.02 -1.44 -0.15 0.00 -0.47 0.00 0.00 55.73 53.65 1thn s ARG 80 Cb -0.11 -0.67 0.03 0.00 -0.57 0.00 0.00 34.95 33.62 1thn s ARG 80 CO -0.09 0.09 0.39 0.16 -1.08 0.00 0.00 175.30 174.77 1thn s ASP 81 N -3.11 -0.18 -0.58 -2.89 1.47 -0.96 -1.74 116.67 108.68 1thn s ASP 81 Ca 0.16 -0.43 0.06 0.00 1.18 0.00 0.00 52.55 53.51 1thn s ASP 81 Cb 0.02 0.48 0.21 0.00 -0.34 0.00 0.00 42.92 43.28 1thn s ASP 81 CO 0.01 -0.88 0.55 -0.62 0.68 0.00 0.00 175.17 174.91 1thn n GLU 82 N -0.23 1.55 0.00 2.11 1.02 -1.26 -2.64 120.64 121.19 1thn n GLU 82 Ca -0.14 -4.08 0.00 0.00 -0.02 0.00 0.00 57.16 52.92 1thn n GLU 82 Cb 0.63 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1thn n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1thn n GLY 83 N 1.68 5.73 0.46 0.62 0.00 -1.26 -4.78 105.19 107.64 1thn n GLY 83 Ca 0.25 -1.53 0.39 0.00 0.00 0.00 0.00 46.02 45.14 1thn n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1thn h VAL 84 N 0.00 0.03 -0.83 1.61 2.07 -1.82 -1.91 116.25 115.39 1thn h VAL 84 Ca 0.00 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1thn h VAL 84 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 1thn h VAL 84 CO 0.00 0.00 -0.15 0.61 0.02 0.00 0.00 177.57 178.05 1thn n GLY 85 N -1.50 -1.55 3.71 2.17 0.00 -1.26 0.88 105.19 107.63 1thn n GLY 85 Ca 0.40 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 1thn n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1thn s ILE 86 N -1.49 4.80 -0.07 -0.61 1.01 -1.26 -4.78 121.20 118.79 1thn s ILE 86 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.43 1thn s ILE 86 Cb 0.00 -3.10 -0.13 0.00 0.01 0.00 0.00 42.46 39.24 1thn s ILE 86 CO 0.00 0.55 0.67 -0.65 0.00 0.00 0.00 174.94 175.50 1thn h PRO 87 N 5.80 -0.18 -4.70 2.79 0.11 -1.95 -3.38 132.00 130.48 1thn h PRO 87 Ca -0.45 0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.01 1thn h PRO 87 Cb 1.19 0.04 -0.40 0.00 0.11 0.00 0.00 31.00 31.94 1thn h PRO 87 CO 0.62 0.21 -0.72 0.34 -0.21 0.00 0.00 178.00 178.24 1thn s ASP 88 N -5.52 4.75 0.30 -2.05 -1.08 -1.26 -4.95 116.67 106.87 1thn s ASP 88 Ca -0.11 -2.10 0.24 0.00 -0.52 0.00 0.00 52.55 50.07 1thn s ASP 88 Cb -0.00 -1.63 1.08 0.00 -1.46 0.00 0.00 42.92 40.91 1thn s ASP 88 CO 0.39 -0.37 1.73 -0.29 0.52 0.00 0.00 175.17 177.15 1thn h ILE 89 N 6.62 0.00 0.00 4.11 2.10 -1.99 -0.37 117.51 127.97 1thn h ILE 89 Ca -0.05 -0.20 -0.30 0.00 1.08 0.00 0.00 64.86 65.38 1thn h ILE 89 Cb 1.02 0.91 -0.05 0.00 -1.09 0.00 0.00 36.82 37.61 1thn h ILE 89 CO 0.52 0.00 -1.83 -0.62 -1.08 0.00 0.00 178.15 175.14 1thn n GLU 90 N -2.32 0.64 0.07 2.19 1.02 -1.26 -3.35 120.64 117.62 1thn n GLU 90 Ca 0.01 0.24 0.12 0.00 -0.02 0.00 0.00 57.16 57.52 1thn n GLU 90 Cb 0.19 -1.74 0.29 0.00 -0.02 0.00 0.00 31.44 30.16 1thn n GLU 90 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1thn n GLU 91 N -2.98 0.24 -0.06 3.49 2.13 -0.88 -3.75 120.64 118.81 1thn n GLU 91 Ca -0.20 0.12 -0.18 0.00 0.66 0.00 0.00 57.16 57.56 1thn n GLU 91 Cb 1.06 -1.70 -0.13 0.00 0.27 0.00 0.00 31.44 30.95 1thn n GLU 91 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1thn h ALA 92 N 2.59 0.11 0.00 4.31 0.00 -1.20 -3.31 119.26 121.76 1thn h ALA 92 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1thn h ALA 92 Cb 0.70 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1thn h ALA 92 CO 0.00 0.37 0.00 0.54 0.00 0.00 0.00 179.25 180.16 1thn n ARG 93 N -4.43 0.13 -1.79 0.00 5.12 -1.21 -4.59 116.66 109.88 1thn n ARG 93 Ca -0.20 0.45 -0.40 0.00 -1.93 0.00 0.00 57.85 55.78 1thn n ARG 93 Cb 0.62 -1.79 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 1thn n ARG 93 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1thn s GLN 94 N -3.29 2.75 0.11 5.56 -0.21 -1.25 -4.87 119.66 118.47 1thn s GLN 94 Ca 0.03 1.35 -0.30 0.00 0.02 0.00 0.00 55.36 56.46 1thn s GLN 94 Cb 0.08 -4.40 -0.17 0.00 1.00 0.00 0.00 33.01 29.52 1thn s GLN 94 CO 0.29 -2.54 0.68 -0.35 -2.12 0.00 0.00 175.29 171.25 1thn n PRO 95 N 8.85 0.00 -0.47 2.91 -0.04 -1.26 -2.16 135.00 142.83 1thn n PRO 95 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1thn n PRO 95 Cb 0.50 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1thn n PRO 95 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1thn n LEU 96 N 1.68 0.06 -4.75 1.53 4.32 -0.81 -5.01 117.00 114.01 1thn n LEU 96 Ca 0.17 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.76 1thn n LEU 96 Cb 0.17 -0.11 -0.05 0.00 -1.62 0.00 0.00 43.42 41.81 1thn n LEU 96 CO 0.54 -0.03 0.72 0.12 -1.22 0.00 0.00 177.39 177.52 1thn s PHE 97 N -3.22 3.78 -0.28 -1.77 5.36 -0.92 -4.62 117.98 116.32 1thn s PHE 97 Ca 0.00 1.81 -0.20 0.00 -0.96 0.00 0.00 56.93 57.58 1thn s PHE 97 Cb 0.00 -3.13 0.08 0.00 -0.34 0.00 0.00 43.02 39.63 1thn s PHE 97 CO 0.00 -0.04 0.72 -0.08 -1.46 0.00 0.00 175.22 174.36 1thn s THR 98 N -1.17 0.00 -0.29 0.12 -1.32 -1.26 -4.51 115.64 107.20 1thn s THR 98 Ca 0.43 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 61.11 1thn s THR 98 Cb -0.29 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 69.85 1thn s THR 98 CO 0.36 0.00 1.37 0.71 -2.21 0.00 0.00 174.62 174.86 1thn h THR 99 N 4.49 0.28 -2.12 5.08 1.35 -1.96 -3.35 112.91 116.68 1thn h THR 99 Ca -0.29 -1.42 -0.68 0.00 -0.55 0.00 0.00 66.41 63.46 1thn h THR 99 Cb 1.19 2.02 -0.35 0.00 -1.73 0.00 0.00 68.15 69.28 1thn h THR 99 CO 0.11 0.16 0.08 0.29 -0.25 0.00 0.00 175.52 175.91 1thn n LYS 100 N -3.03 3.90 -0.27 4.72 5.02 -1.26 -4.80 118.16 122.44 1thn n LYS 100 Ca 0.01 -4.58 0.04 0.00 -2.02 0.00 0.00 58.31 51.76 1thn n LYS 100 Cb 0.62 -2.32 0.18 0.00 -0.02 0.00 0.00 35.03 33.49 1thn n LYS 100 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1thn h PRO 101 N 3.30 0.60 -0.91 1.97 0.11 -1.85 -0.97 132.00 134.26 1thn h PRO 101 Ca 0.34 -0.04 0.25 0.00 0.11 0.00 0.00 66.00 66.67 1thn h PRO 101 Cb 0.45 -0.14 -0.14 0.00 0.11 0.00 0.00 31.00 31.28 1thn h PRO 101 CO 1.01 0.40 0.33 1.05 -0.21 0.00 0.00 178.00 180.59 1thn h GLU 102 N 0.62 0.25 -2.00 1.05 9.09 -1.95 -1.17 114.58 120.47 1thn h GLU 102 Ca 0.41 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 59.78 1thn h GLU 102 Cb 0.50 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.54 1thn h GLU 102 CO -0.32 0.17 -0.04 1.28 0.05 0.00 0.00 179.01 180.15 1thn n LEU 103 N -5.16 5.21 -3.82 3.06 4.32 -0.37 -4.78 117.00 115.46 1thn n LEU 103 Ca 0.24 -2.44 -0.32 0.00 -0.02 0.00 0.00 56.01 53.46 1thn n LEU 103 Cb 0.75 -1.14 -0.06 0.00 -1.62 0.00 0.00 43.42 41.35 1thn n LEU 103 CO 0.08 1.06 -0.12 -0.62 -1.22 0.00 0.00 177.39 176.57 1thn n GLU 104 N 1.63 -0.85 -2.85 3.23 1.02 -0.44 -4.81 120.64 117.57 1thn n GLU 104 Ca 0.05 0.11 -0.43 0.00 -0.02 0.00 0.00 57.16 56.86 1thn n GLU 104 Cb 0.54 -3.71 -0.04 0.00 -0.02 0.00 0.00 31.44 28.21 1thn n GLU 104 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1thn s ARG 105 N -5.84 3.22 0.41 3.49 6.06 -1.23 -4.94 118.95 120.12 1thn s ARG 105 Ca 0.63 -1.01 0.26 0.00 -2.50 0.00 0.00 55.73 53.11 1thn s ARG 105 Cb -0.37 -4.40 1.37 0.00 0.06 0.00 0.00 34.95 31.60 1thn s ARG 105 CO 0.78 -1.83 1.61 0.66 -2.50 0.00 0.00 175.30 174.02 1thn h SER 106 N 9.45 0.30 -0.29 -2.12 4.64 -1.92 -3.44 113.55 120.16 1thn h SER 106 Ca -0.18 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1thn h SER 106 Cb 1.06 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1thn h SER 106 CO 1.18 -0.26 0.00 0.61 -0.87 0.00 0.00 176.83 177.49 1thn n GLY 107 N -1.42 0.69 0.00 -0.77 0.00 -1.26 -4.73 105.19 97.70 1thn n GLY 107 Ca 0.37 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.71 1thn n GLY 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1thn n MET 108 N -0.82 0.31 -0.33 1.61 2.81 -1.26 -1.92 117.12 117.52 1thn n MET 108 Ca 0.00 -0.09 -0.09 0.00 -1.81 0.00 0.00 57.70 55.71 1thn n MET 108 Cb 0.44 -1.23 -0.08 0.00 -0.71 0.00 0.00 33.22 31.64 1thn n MET 108 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1thn n GLY 109 N 1.94 -2.24 0.29 3.03 0.00 -1.26 -0.92 105.19 106.02 1thn n GLY 109 Ca -0.02 0.97 -0.08 0.00 0.00 0.00 0.00 46.02 46.88 1thn n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1thn h PHE 110 N 0.00 1.03 0.00 1.61 0.05 -1.93 -2.85 116.94 114.85 1thn h PHE 110 Ca 0.12 -0.21 -0.03 0.00 3.82 0.00 0.00 57.97 61.67 1thn h PHE 110 Cb 0.32 -0.26 -0.00 0.00 2.00 0.00 0.00 35.95 38.01 1thn h PHE 110 CO -0.87 0.98 -0.16 1.15 -0.18 0.00 0.00 178.31 179.23 1thn h THR 111 N 0.83 0.61 -0.05 -1.55 2.02 -1.55 -2.48 112.91 110.74 1thn h THR 111 Ca 0.13 -0.73 -0.25 0.00 0.77 0.00 0.00 66.41 66.33 1thn h THR 111 Cb 0.65 1.47 0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1thn h THR 111 CO 0.05 0.16 -0.94 0.40 0.37 0.00 0.00 175.52 175.55 1thn h ILE 112 N 0.00 1.30 -0.10 3.11 2.04 -0.82 -3.01 117.51 120.04 1thn h ILE 112 Ca -0.00 -2.19 -0.01 0.00 1.00 0.00 0.00 64.86 63.66 1thn h ILE 112 Cb 0.46 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1thn h ILE 112 CO 0.02 0.68 0.02 0.24 0.00 0.00 0.00 178.15 179.11 1thn h MET 113 N 0.41 0.13 0.00 2.37 2.86 -1.23 -2.57 114.93 116.91 1thn h MET 113 Ca -0.10 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.38 1thn h MET 113 Cb 1.58 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.19 1thn h MET 113 CO 0.18 0.13 -0.96 0.93 1.06 0.00 0.00 176.91 178.25 1thn h GLU 114 N 0.13 0.00 -0.04 1.72 5.08 -1.51 0.13 114.58 120.09 1thn h GLU 114 Ca 0.03 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 1thn h GLU 114 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1thn h GLU 114 CO -0.00 0.50 -0.84 -0.97 -1.00 0.00 0.00 179.01 176.70 1thn h ASN 115 N 0.00 0.48 0.00 1.42 -0.73 -1.36 -3.37 115.58 112.02 1thn h ASN 115 Ca -0.08 -0.36 -0.03 0.00 1.87 0.00 0.00 56.30 57.71 1thn h ASN 115 Cb 1.54 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.98 1thn h ASN 115 CO 0.07 1.13 -0.35 -0.26 -0.37 0.00 0.00 177.43 177.64 1thn h PHE 116 N 0.24 0.00 -4.05 0.67 0.05 -1.54 -3.48 116.94 108.84 1thn h PHE 116 Ca -0.05 0.00 -0.46 0.00 3.82 0.00 0.00 57.97 61.27 1thn h PHE 116 Cb 1.45 0.00 0.01 0.00 2.00 0.00 0.00 35.95 39.41 1thn h PHE 116 CO 0.05 0.26 0.37 -1.64 -0.18 0.00 0.00 178.31 177.17 1thn s MET 117 N -1.99 3.99 0.07 1.51 -1.94 0.44 -4.99 119.30 116.38 1thn s MET 117 Ca -0.11 1.31 -0.15 0.00 -1.71 0.00 0.00 55.69 55.03 1thn s MET 117 Cb 0.01 -2.20 -0.21 0.00 2.01 0.00 0.00 34.83 34.44 1thn s MET 117 CO 0.22 -0.26 1.20 -0.44 -0.01 0.00 0.00 175.02 175.74 1thn h ASP 118 N 1.83 0.84 -4.30 3.03 3.32 -1.78 -3.42 116.42 115.94 1thn h ASP 118 Ca -0.49 -0.71 -0.40 0.00 0.02 0.00 0.00 57.03 55.45 1thn h ASP 118 Cb 1.21 -0.25 -0.25 0.00 0.22 0.00 0.00 39.33 40.25 1thn h ASP 118 CO 0.60 1.44 -0.78 -0.70 -1.72 0.00 0.00 179.24 178.08 1thn s GLU 119 N -3.42 0.80 0.03 3.56 2.12 -0.31 -5.00 118.70 116.49 1thn s GLU 119 Ca -0.11 -0.62 0.02 0.00 0.36 0.00 0.00 54.97 54.62 1thn s GLU 119 Cb 0.07 -0.76 -0.02 0.00 0.26 0.00 0.00 34.13 33.67 1thn s GLU 119 CO 0.90 0.19 -0.07 0.08 -0.54 0.00 0.00 175.26 175.82 1thn s VAL 120 N -0.73 0.44 -0.28 3.70 1.01 -1.26 -0.65 120.40 122.63 1thn s VAL 120 Ca 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1thn s VAL 120 Cb -0.07 -0.52 0.17 0.00 0.00 0.00 0.00 36.38 35.96 1thn s VAL 120 CO 0.01 -0.37 0.53 -0.63 0.00 0.00 0.00 175.10 174.63 1thn s ILE 121 N -1.30 -0.87 -0.16 2.22 -1.09 -0.75 -4.99 121.20 114.26 1thn s ILE 121 Ca -0.10 -0.02 -0.13 0.00 -2.23 0.00 0.00 60.65 58.17 1thn s ILE 121 Cb -0.09 -0.94 -0.05 0.00 -1.58 0.00 0.00 42.46 39.80 1thn s ILE 121 CO 0.00 -0.04 0.26 -0.69 -1.23 0.00 0.00 174.94 173.24 1thn s VAL 122 N 2.75 5.32 -0.16 2.92 1.01 -1.26 -0.39 120.40 130.60 1thn s VAL 122 Ca 0.18 0.48 -0.00 0.00 0.00 0.00 0.00 61.98 62.63 1thn s VAL 122 Cb -0.15 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.67 1thn s VAL 122 CO -0.19 0.41 -0.07 -0.70 0.00 0.00 0.00 175.10 174.55 1thn s GLU 123 N 0.33 1.60 0.27 2.72 -6.30 0.55 -5.00 118.70 112.87 1thn s GLU 123 Ca 0.15 -0.50 0.02 0.00 -2.50 0.00 0.00 54.97 52.14 1thn s GLU 123 Cb -0.13 -1.96 -0.05 0.00 0.00 0.00 0.00 34.13 31.99 1thn s GLU 123 CO 0.03 -0.38 0.10 0.45 0.02 0.00 0.00 175.26 175.48 1thn s SER 124 N 1.61 1.34 -0.26 -1.70 0.15 -1.26 0.24 113.70 113.82 1thn s SER 124 Ca 0.02 -1.40 -0.15 0.00 0.70 0.00 0.00 55.95 55.11 1thn s SER 124 Cb -0.15 0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.41 1thn s SER 124 CO -0.08 -0.74 0.64 -1.61 1.20 0.00 0.00 173.24 172.65 1thn s GLU 125 N -4.00 0.66 0.25 5.44 8.01 -1.23 -4.90 118.70 122.93 1thn s GLU 125 Ca 0.37 1.12 -0.31 0.00 0.01 0.00 0.00 54.97 56.16 1thn s GLU 125 Cb 0.08 0.13 -0.12 0.00 -4.31 0.00 0.00 34.13 29.90 1thn s GLU 125 CO 0.14 -0.15 1.62 0.28 0.01 0.00 0.00 175.26 177.16 1thn n VAL 126 N 4.17 0.58 -0.41 2.63 0.31 -1.26 -2.16 118.33 122.19 1thn n VAL 126 Ca -0.20 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1thn n VAL 126 Cb 0.58 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1thn n VAL 126 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1thn n ASN 127 N 2.88 0.00 -0.01 4.52 3.02 0.26 -4.63 115.26 121.30 1thn n ASN 127 Ca 0.12 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.68 1thn n ASN 127 Cb 0.35 -2.09 -0.12 0.00 -0.61 0.00 0.00 39.78 37.31 1thn n ASN 127 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1thn n LYS 128 N -1.56 0.65 0.00 3.52 4.76 -0.92 -4.72 118.16 119.89 1thn n LYS 128 Ca 0.00 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1thn n LYS 128 Cb 0.00 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 1thn n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1thn n GLY 129 N 1.45 2.58 3.64 0.72 0.00 -0.72 -4.48 105.19 108.37 1thn n GLY 129 Ca -0.14 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 1thn n GLY 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1thn s THR 130 N -1.17 5.04 -0.29 2.61 -4.23 -1.08 -3.51 115.64 113.00 1thn s THR 130 Ca 0.00 1.06 -0.03 0.00 -1.18 0.00 0.00 61.69 61.53 1thn s THR 130 Cb 0.00 -3.90 0.03 0.00 1.34 0.00 0.00 72.50 69.98 1thn s THR 130 CO 0.00 0.09 0.01 -0.89 -0.54 0.00 0.00 174.62 173.29 1thn s THR 131 N 2.13 3.24 -0.13 3.99 2.01 0.66 -2.27 115.64 125.28 1thn s THR 131 Ca 0.25 -1.12 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 1thn s THR 131 Cb -0.16 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1thn s THR 131 CO 0.09 0.00 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.32 1thn s VAL 132 N 1.34 4.17 -0.32 3.82 1.01 0.15 -0.33 120.40 130.23 1thn s VAL 132 Ca -0.02 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1thn s VAL 132 Cb -0.18 -2.80 0.09 0.00 0.00 0.00 0.00 36.38 33.48 1thn s VAL 132 CO -0.01 0.53 0.02 -0.31 0.00 0.00 0.00 175.10 175.34 1thn s TYR 133 N -0.14 3.56 -0.22 5.22 1.51 0.48 -1.31 117.35 126.45 1thn s TYR 133 Ca 0.04 -2.65 -0.07 0.00 -1.01 0.00 0.00 57.07 53.38 1thn s TYR 133 Cb -0.13 -2.62 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 1thn s TYR 133 CO 0.02 -0.92 0.07 -0.51 -1.11 0.00 0.00 175.55 173.10 1thn s LEU 134 N 1.02 3.65 -0.17 -1.29 1.02 -0.67 -1.81 118.68 120.42 1thn s LEU 134 Ca 0.04 -0.06 -0.02 0.00 0.02 0.00 0.00 54.13 54.11 1thn s LEU 134 Cb -0.20 -1.95 -0.01 0.00 0.02 0.00 0.00 46.19 44.05 1thn s LEU 134 CO -0.06 0.07 -0.09 -0.75 0.02 0.00 0.00 176.35 175.53 1thn s LYS 135 N 1.01 3.38 -0.24 1.70 2.36 0.17 -1.60 119.74 126.52 1thn s LYS 135 Ca 0.04 -0.66 -0.04 0.00 -2.55 0.00 0.00 55.97 52.77 1thn s LYS 135 Cb -0.14 -2.79 0.01 0.00 -1.05 0.00 0.00 37.83 33.85 1thn s LYS 135 CO 0.03 0.04 -0.02 0.21 1.55 0.00 0.00 175.35 177.15 1thn s LYS 136 N 0.83 3.16 0.00 4.03 2.20 -0.29 -1.16 119.74 128.50 1thn s LYS 136 Ca -0.03 -0.78 0.19 0.00 -0.36 0.00 0.00 55.97 54.99 1thn s LYS 136 Cb -0.15 -3.08 0.15 0.00 -1.51 0.00 0.00 37.83 33.24 1thn s LYS 136 CO 0.01 -0.31 1.09 -2.39 -0.36 0.00 0.00 175.35 173.39