#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u9d s VAL -13 N 0.00 1.92 -0.56 1.61 -7.23 -1.26 -4.65 120.40 110.23 1u9d s VAL -13 Ca 0.00 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.12 1u9d s VAL -13 Cb 0.00 -2.60 0.15 0.00 0.56 0.00 0.00 36.38 34.48 1u9d s VAL -13 CO 0.00 0.00 0.40 -0.62 -0.31 0.00 0.00 175.10 174.57 1u9d s ASP -12 N -3.81 5.49 -0.33 4.85 2.15 -1.26 -4.90 116.67 118.86 1u9d s ASP -12 Ca 0.67 -2.45 0.10 0.00 0.43 0.00 0.00 52.55 51.29 1u9d s ASP -12 Cb -0.15 -1.92 0.74 0.00 -0.30 0.00 0.00 42.92 41.30 1u9d s ASP -12 CO 0.56 -0.50 1.81 0.18 -0.17 0.00 0.00 175.17 177.05 1u9d n LEU -11 N 4.09 6.11 -0.07 -1.34 4.77 -1.26 -4.17 117.00 125.13 1u9d n LEU -11 Ca 0.03 -3.26 -0.19 0.00 -0.03 0.00 0.00 56.01 52.55 1u9d n LEU -11 Cb 0.40 -0.75 -0.13 0.00 -2.33 0.00 0.00 43.42 40.61 1u9d n LEU -11 CO 0.35 0.83 -1.13 0.61 -1.33 0.00 0.00 177.39 176.73 1u9d n GLY -10 N -0.24 -0.44 3.71 -0.72 0.00 -1.26 -4.95 105.19 101.29 1u9d n GLY -10 Ca 0.42 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1u9d n GLY -10 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u9d s THR -9 N -2.54 5.13 0.15 2.61 -1.32 -1.26 -4.96 115.64 113.45 1u9d s THR -9 Ca -0.30 1.10 -0.31 0.00 -1.21 0.00 0.00 61.69 60.97 1u9d s THR -9 Cb 0.08 -3.89 -0.11 0.00 -1.51 0.00 0.00 72.50 67.08 1u9d s THR -9 CO 0.67 0.27 1.74 -1.61 -2.21 0.00 0.00 174.62 173.48 1u9d s GLU -8 N 0.88 4.15 -1.01 7.08 2.02 -1.26 -2.95 118.70 127.60 1u9d s GLU -8 Ca 0.29 2.53 0.00 0.00 0.02 0.00 0.00 54.97 57.81 1u9d s GLU -8 Cb -0.16 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.71 1u9d s GLU -8 CO 0.12 -0.77 0.00 0.09 0.02 0.00 0.00 175.26 174.73 1u9d n ASN -7 N 4.89 -4.44 -0.31 -0.19 3.02 -1.26 -4.90 115.26 112.07 1u9d n ASN -7 Ca 0.16 0.24 -0.04 0.00 -0.03 0.00 0.00 54.58 54.91 1u9d n ASN -7 Cb 0.38 -2.78 0.08 0.00 -0.61 0.00 0.00 39.78 36.84 1u9d n ASN -7 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1u9d h LEU -6 N 0.00 1.01 -1.83 3.41 5.85 -1.88 -2.80 115.31 119.07 1u9d h LEU -6 Ca -0.20 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1u9d h LEU -6 Cb 0.72 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1u9d h LEU -6 CO 0.29 0.78 0.00 -1.22 -0.34 0.00 0.00 178.44 177.95 1u9d n TYR -5 N -4.44 0.49 -1.71 1.25 4.02 -1.26 -4.87 117.16 110.64 1u9d n TYR -5 Ca 0.09 -0.24 -0.41 0.00 -0.01 0.00 0.00 57.90 57.32 1u9d n TYR -5 Cb 0.06 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.39 1u9d n TYR -5 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1u9d n PHE -4 N 1.00 2.22 0.23 -0.72 3.01 -1.06 -4.86 117.46 117.28 1u9d n PHE -4 Ca 0.18 0.49 0.07 0.00 1.01 0.00 0.00 57.45 59.20 1u9d n PHE -4 Cb 0.47 -2.39 0.55 0.00 -0.01 0.00 0.00 39.48 38.10 1u9d n PHE -4 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1u9d h SER -3 N 2.14 0.00 1.05 4.37 0.87 -1.92 -1.00 113.55 119.06 1u9d h SER -3 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1u9d h SER -3 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1u9d h SER -3 CO 0.60 0.14 0.00 0.77 -0.53 0.00 0.00 176.83 177.82 1u9d h SER -2 N 0.00 0.00 -2.16 6.23 4.64 -1.93 -3.37 113.55 116.96 1u9d h SER -2 Ca -0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.67 1u9d h SER -2 Cb 0.26 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.21 1u9d h SER -2 CO 0.02 0.00 0.93 0.21 -0.87 0.00 0.00 176.83 177.12 1u9d s ASN -1 N -5.68 6.45 0.00 4.97 2.47 -0.38 -4.96 114.94 117.81 1u9d s ASN -1 Ca 0.01 -1.54 0.00 0.00 0.42 0.00 0.00 52.86 51.75 1u9d s ASN -1 Cb 0.09 -2.45 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 1u9d s ASN -1 CO 0.54 -1.31 0.00 0.00 -3.72 0.00 0.00 177.10 172.61 1u9d n ALA 0 N 7.57 0.00 -3.50 1.71 0.00 -1.26 -4.82 120.51 120.21 1u9d n ALA 0 Ca 0.18 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 1u9d n ALA 0 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 1u9d n ALA 0 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1u9d s PRO 2 N -0.24 0.36 -0.28 0.00 0.04 -1.24 -1.19 135.00 132.45 1u9d s PRO 2 Ca 0.00 0.60 -0.04 0.00 0.04 0.00 0.00 61.00 61.60 1u9d s PRO 2 Cb 0.00 0.05 0.03 0.00 0.04 0.00 0.00 34.50 34.62 1u9d s PRO 2 CO 0.00 -0.11 0.01 -1.01 0.04 0.00 0.00 177.00 175.92 1u9d s HIS 3 N 0.84 3.15 -0.18 0.56 3.76 -0.26 -1.86 115.29 121.29 1u9d s HIS 3 Ca -0.05 -1.45 -0.13 0.00 -0.15 0.00 0.00 55.06 53.28 1u9d s HIS 3 Cb -0.06 -2.14 -0.05 0.00 1.11 0.00 0.00 32.58 31.44 1u9d s HIS 3 CO -0.06 -0.70 0.26 -0.51 -0.85 0.00 0.00 174.74 172.88 1u9d s LEU 4 N 1.36 4.22 -0.14 0.89 1.02 0.35 -1.00 118.68 125.38 1u9d s LEU 4 Ca -0.00 0.42 0.02 0.00 0.02 0.00 0.00 54.13 54.59 1u9d s LEU 4 Cb -0.18 -2.31 0.01 0.00 0.02 0.00 0.00 46.19 43.73 1u9d s LEU 4 CO -0.01 0.09 -0.22 -0.13 0.02 0.00 0.00 176.35 176.11 1u9d s ARG 5 N 0.59 3.03 -0.27 1.70 0.52 0.89 -0.41 118.95 124.99 1u9d s ARG 5 Ca 0.14 -0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 54.41 1u9d s ARG 5 Cb -0.13 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 1u9d s ARG 5 CO 0.03 -0.03 0.15 -0.06 0.02 0.00 0.00 175.30 175.41 1u9d s PHE 6 N 0.85 3.18 0.06 -0.53 0.08 -0.03 -1.09 117.98 120.50 1u9d s PHE 6 Ca -0.06 -0.08 0.10 0.00 0.12 0.00 0.00 56.93 57.00 1u9d s PHE 6 Cb -0.15 -2.34 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 1u9d s PHE 6 CO -0.03 -0.24 -0.26 1.03 -0.10 0.00 0.00 175.22 175.62 1u9d s ARG 7 N 1.71 1.75 -1.50 0.44 0.52 -1.26 -1.69 118.95 118.92 1u9d s ARG 7 Ca 0.07 -1.14 -0.13 0.00 -0.52 0.00 0.00 55.73 54.01 1u9d s ARG 7 Cb -0.16 -1.97 0.07 0.00 0.52 0.00 0.00 34.95 33.42 1u9d s ARG 7 CO 0.08 0.50 1.01 0.00 0.02 0.00 0.00 175.30 176.92 1u9d n ALA 8 N 1.67 -1.31 -2.85 2.13 0.00 -1.26 -4.61 120.51 114.28 1u9d n ALA 8 Ca -0.17 0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 1u9d n ALA 8 Cb 0.52 -4.59 -0.15 0.00 0.00 0.00 0.00 19.45 15.23 1u9d n ALA 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1u9d s VAL 9 N -3.31 0.86 0.41 0.00 -7.23 -1.26 -3.91 120.40 105.96 1u9d s VAL 9 Ca 0.64 -0.43 -0.26 0.00 -1.81 0.00 0.00 61.98 60.12 1u9d s VAL 9 Cb -0.31 -0.74 -0.08 0.00 0.56 0.00 0.00 36.38 35.80 1u9d s VAL 9 CO 0.81 0.26 1.29 -0.70 -0.31 0.00 0.00 175.10 176.45 1u9d s GLU 10 N -0.02 3.94 0.25 4.82 -6.30 -1.26 -4.88 118.70 115.25 1u9d s GLU 10 Ca 0.00 2.11 -0.05 0.00 -2.50 0.00 0.00 54.97 54.54 1u9d s GLU 10 Cb -0.07 -2.72 0.37 0.00 0.00 0.00 0.00 34.13 31.71 1u9d s GLU 10 CO 0.00 -0.50 1.84 0.00 0.02 0.00 0.00 175.26 176.62 1u9d h ALA 11 N 2.61 1.21 -0.42 6.30 0.00 -2.00 -2.25 119.26 124.72 1u9d h ALA 11 Ca -0.50 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1u9d h ALA 11 Cb 1.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1u9d h ALA 11 CO 0.62 0.24 0.06 0.45 0.00 0.00 0.00 179.25 180.62 1u9d h HIS 12 N 0.94 0.66 -0.19 0.00 3.86 -1.99 -0.91 115.15 117.51 1u9d h HIS 12 Ca 0.39 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.52 1u9d h HIS 12 Cb 0.24 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1u9d h HIS 12 CO -0.04 0.59 0.03 0.82 0.86 0.00 0.00 177.93 180.20 1u9d h ILE 13 N 0.62 1.22 -0.75 2.45 1.08 -1.79 -2.34 117.51 117.99 1u9d h ILE 13 Ca 0.14 -0.72 -0.03 0.00 -0.39 0.00 0.00 64.86 63.86 1u9d h ILE 13 Cb 0.30 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 1u9d h ILE 13 CO 0.00 0.22 0.37 0.58 -0.69 0.00 0.00 178.15 178.63 1u9d h VAL 14 N 0.12 1.24 -0.57 1.67 2.07 -1.16 -0.51 116.25 119.10 1u9d h VAL 14 Ca 0.06 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1u9d h VAL 14 Cb 0.30 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1u9d h VAL 14 CO 0.00 0.28 0.27 -0.33 0.02 0.00 0.00 177.57 177.81 1u9d h GLU 15 N 1.05 0.80 0.03 1.57 5.08 -1.02 -1.27 114.58 120.83 1u9d h GLU 15 Ca 0.26 -0.10 -0.23 0.00 -1.00 0.00 0.00 59.36 58.29 1u9d h GLU 15 Cb 0.11 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1u9d h GLU 15 CO -0.03 0.63 -0.99 0.77 -1.00 0.00 0.00 179.01 178.38 1u9d h SER 16 N 0.80 0.41 0.39 1.42 0.02 -1.08 -3.35 113.55 112.17 1u9d h SER 16 Ca 0.20 -0.36 -0.19 0.00 -0.84 0.00 0.00 61.79 60.60 1u9d h SER 16 Cb 0.09 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1u9d h SER 16 CO -0.03 1.18 -0.78 0.25 -1.14 0.00 0.00 176.83 176.32 1u9d h LEU 17 N 0.15 0.38 0.01 5.07 5.85 -0.44 -3.38 115.31 122.95 1u9d h LEU 17 Ca -0.08 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1u9d h LEU 17 Cb 1.65 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.56 1u9d h LEU 17 CO 0.16 1.02 -0.00 0.58 -0.34 0.00 0.00 178.44 179.86 1u9d h VAL 18 N 0.20 1.08 -0.80 1.05 2.07 -1.38 0.21 116.25 118.67 1u9d h VAL 18 Ca -0.04 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1u9d h VAL 18 Cb 1.37 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 1u9d h VAL 18 CO 0.13 0.07 0.38 -0.65 0.02 0.00 0.00 177.57 177.51 1u9d h PRO 19 N -0.12 1.15 -0.14 1.57 0.11 -1.79 -0.59 132.00 132.19 1u9d h PRO 19 Ca -0.00 -0.17 -0.18 0.00 0.11 0.00 0.00 66.00 65.76 1u9d h PRO 19 Cb 0.11 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.01 1u9d h PRO 19 CO 0.00 0.89 -0.65 1.79 -0.21 0.00 0.00 178.00 179.82 1u9d h THR 20 N 1.14 1.34 -0.50 -1.15 1.35 -1.69 -2.61 112.91 110.79 1u9d h THR 20 Ca 0.27 -1.96 -0.06 0.00 -0.55 0.00 0.00 66.41 64.12 1u9d h THR 20 Cb 0.13 1.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 1u9d h THR 20 CO -0.03 0.60 0.07 -0.07 -0.25 0.00 0.00 175.52 175.83 1u9d h LEU 21 N 0.39 0.81 -0.57 3.87 3.38 -0.63 -1.91 115.31 120.65 1u9d h LEU 21 Ca -0.02 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1u9d h LEU 21 Cb 1.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1u9d h LEU 21 CO 0.12 0.87 0.36 0.25 0.09 0.00 0.00 178.44 180.14 1u9d h LEU 22 N 0.71 0.61 -0.15 1.67 5.85 -1.05 0.58 115.31 123.52 1u9d h LEU 22 Ca 0.15 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1u9d h LEU 22 Cb 0.42 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1u9d h LEU 22 CO 0.01 0.43 -0.05 0.78 -0.34 0.00 0.00 178.44 179.27 1u9d h ASN 23 N 0.73 -0.18 -0.20 1.25 2.35 -1.29 -1.17 115.58 117.06 1u9d h ASN 23 Ca 0.22 0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.88 1u9d h ASN 23 Cb -0.03 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1u9d h ASN 23 CO -0.07 -0.07 -0.40 -0.08 -1.65 0.00 0.00 177.43 175.16 1u9d h GLU 24 N -0.02 0.63 -0.33 0.81 4.81 -0.97 -2.89 114.58 116.62 1u9d h GLU 24 Ca 0.08 -0.41 -0.16 0.00 -0.13 0.00 0.00 59.36 58.73 1u9d h GLU 24 Cb 0.14 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1u9d h GLU 24 CO -0.17 1.02 -0.44 -0.07 -0.73 0.00 0.00 179.01 178.62 1u9d h LEU 25 N 0.32 0.93 -0.92 1.64 3.38 -0.88 -1.31 115.31 118.48 1u9d h LEU 25 Ca 0.01 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 1u9d h LEU 25 Cb 1.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1u9d h LEU 25 CO 0.09 1.23 -0.11 0.77 0.09 0.00 0.00 178.44 180.52 1u9d h SER 26 N 0.69 0.66 0.23 -0.43 4.64 -1.27 -1.14 113.55 116.92 1u9d h SER 26 Ca 0.04 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1u9d h SER 26 Cb 1.03 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1u9d h SER 26 CO 0.10 0.80 -0.11 0.28 -0.87 0.00 0.00 176.83 177.03 1u9d h SER 27 N 0.61 -0.26 -0.70 4.97 0.02 -1.45 -0.92 113.55 115.82 1u9d h SER 27 Ca 0.11 -0.16 0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1u9d h SER 27 Cb 0.54 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.10 1u9d h SER 27 CO 0.03 0.02 0.41 0.25 -1.14 0.00 0.00 176.83 176.40 1u9d h LEU 28 N -0.55 0.62 -0.84 5.07 5.85 -1.04 -2.83 115.31 121.58 1u9d h LEU 28 Ca -0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1u9d h LEU 28 Cb 0.40 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1u9d h LEU 28 CO 0.05 0.40 -0.36 0.18 -0.34 0.00 0.00 178.44 178.37 1u9d n LEU 29 N -4.75 1.67 -3.72 2.25 4.77 -0.45 -4.97 117.00 111.81 1u9d n LEU 29 Ca 0.09 -0.57 -0.25 0.00 -0.03 0.00 0.00 56.01 55.25 1u9d n LEU 29 Cb 0.17 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1u9d n LEU 29 CO 0.30 0.31 -0.10 -1.20 -1.33 0.00 0.00 177.39 175.36 1u9d n SER 30 N -0.20 -2.70 -4.30 -1.43 7.64 -0.42 -4.92 113.62 107.28 1u9d n SER 30 Ca 0.11 -0.92 -0.25 0.00 1.01 0.00 0.00 58.87 58.82 1u9d n SER 30 Cb 0.42 -3.68 -0.13 0.00 -1.01 0.00 0.00 64.21 59.81 1u9d n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1u9d s THR 31 N -3.65 1.81 0.49 0.44 2.01 -0.76 -4.97 115.64 111.01 1u9d s THR 31 Ca 0.19 -1.52 -0.23 0.00 0.31 0.00 0.00 61.69 60.44 1u9d s THR 31 Cb -0.06 -1.62 -0.07 0.00 0.01 0.00 0.00 72.50 70.76 1u9d s THR 31 CO 0.84 0.02 1.30 0.00 -0.69 0.00 0.00 174.62 176.09 1u9d n ALA 32 N 1.20 1.42 0.22 7.40 0.00 -1.26 -4.71 120.51 124.78 1u9d n ALA 32 Ca -0.19 0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.48 1u9d n ALA 32 Cb 0.53 -2.31 0.50 0.00 0.00 0.00 0.00 19.45 18.17 1u9d n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u9d h ARG 33 N 1.70 0.01 -0.00 0.00 3.08 -1.95 -2.13 114.38 115.09 1u9d h ARG 33 Ca -0.50 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1u9d h ARG 33 Cb 1.30 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1u9d h ARG 33 CO 0.58 0.19 0.00 0.27 -1.07 0.00 0.00 179.97 179.94 1u9d n ASN 34 N -4.32 0.06 -0.29 7.04 0.23 -1.26 -3.15 115.26 113.57 1u9d n ASN 34 Ca -0.02 -1.32 0.14 0.00 -0.53 0.00 0.00 54.58 52.85 1u9d n ASN 34 Cb 0.25 -0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.46 1u9d n ASN 34 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u9d n ALA 35 N -0.81 2.80 -2.68 -2.53 0.00 -0.80 -4.88 120.51 111.62 1u9d n ALA 35 Ca 0.17 -0.38 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 1u9d n ALA 35 Cb 0.09 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 1u9d n ALA 35 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1u9d s PHE 36 N -2.28 3.14 0.10 0.00 0.08 -1.19 -3.65 117.98 114.18 1u9d s PHE 36 Ca 0.32 0.17 0.08 0.00 0.12 0.00 0.00 56.93 57.62 1u9d s PHE 36 Cb 0.20 -1.77 -0.03 0.00 -0.57 0.00 0.00 43.02 40.85 1u9d s PHE 36 CO 0.43 0.46 -0.21 0.95 -0.10 0.00 0.00 175.22 176.76 1u9d s THR 37 N -0.91 1.70 -0.06 0.64 -4.23 -0.78 -5.03 115.64 106.97 1u9d s THR 37 Ca 0.14 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 1u9d s THR 37 Cb -0.11 -1.54 0.02 0.00 1.34 0.00 0.00 72.50 72.20 1u9d s THR 37 CO 0.03 -0.05 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.62 1u9d s PHE 38 N -1.15 1.16 -0.04 3.99 0.08 -1.26 -0.49 117.98 120.27 1u9d s PHE 38 Ca 0.06 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.72 1u9d s PHE 38 Cb -0.10 -0.91 0.01 0.00 -0.57 0.00 0.00 43.02 41.45 1u9d s PHE 38 CO 0.04 -0.26 -0.09 -2.00 -0.10 0.00 0.00 175.22 172.82 1u9d s GLU 39 N 0.84 1.17 -0.25 0.44 2.12 0.45 -4.97 118.70 118.50 1u9d s GLU 39 Ca -0.12 -0.28 -0.13 0.00 0.36 0.00 0.00 54.97 54.80 1u9d s GLU 39 Cb -0.15 -1.05 -0.04 0.00 0.26 0.00 0.00 34.13 33.14 1u9d s GLU 39 CO 0.01 0.02 0.28 -1.17 -0.54 0.00 0.00 175.26 173.87 1u9d s LEU 40 N 0.58 4.07 -0.12 2.70 2.96 -1.26 -0.85 118.68 126.76 1u9d s LEU 40 Ca -0.10 0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 53.86 1u9d s LEU 40 Cb -0.13 -2.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 1u9d s LEU 40 CO 0.02 -0.08 0.39 -0.63 -1.32 0.00 0.00 176.35 174.73 1u9d s ILE 41 N 1.64 5.22 -0.67 6.68 -1.09 -0.68 -4.95 121.20 127.35 1u9d s ILE 41 Ca 0.12 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 1u9d s ILE 41 Cb -0.15 -3.73 0.41 0.00 -1.58 0.00 0.00 42.46 37.41 1u9d s ILE 41 CO 0.09 0.39 1.81 0.59 -1.23 0.00 0.00 174.94 176.58 1u9d n ASN 42 N 3.39 6.91 -4.98 3.58 4.13 -1.26 -4.71 115.26 122.31 1u9d n ASN 42 Ca -0.10 -3.80 -0.20 0.00 1.68 0.00 0.00 54.58 52.17 1u9d n ASN 42 Cb 0.52 -0.87 0.02 0.00 -1.54 0.00 0.00 39.78 37.90 1u9d n ASN 42 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1u9d s THR 43 N -5.01 2.48 -0.06 3.41 -4.23 -1.26 -5.11 115.64 105.86 1u9d s THR 43 Ca 0.56 -1.13 0.04 0.00 -1.18 0.00 0.00 61.69 59.98 1u9d s THR 43 Cb 0.45 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 1u9d s THR 43 CO -0.20 0.00 -0.19 -1.10 -0.54 0.00 0.00 174.62 172.60 1u9d s GLN 44 N -4.40 2.57 0.07 3.99 -1.52 -1.26 -4.89 119.66 114.22 1u9d s GLN 44 Ca 0.53 -0.78 0.08 0.00 -1.95 0.00 0.00 55.36 53.24 1u9d s GLN 44 Cb -0.06 -2.31 -0.03 0.00 -0.22 0.00 0.00 33.01 30.39 1u9d s GLN 44 CO 0.33 0.50 -0.23 0.71 -0.25 0.00 0.00 175.29 176.35 1u9d s TYR 45 N -0.43 1.97 -0.01 0.91 2.02 -1.26 -5.14 117.35 115.42 1u9d s TYR 45 Ca 0.05 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.39 1u9d s TYR 45 Cb -0.12 -1.14 -0.01 0.00 -0.40 0.00 0.00 41.96 40.29 1u9d s TYR 45 CO 0.02 0.15 -0.11 0.12 -1.57 0.00 0.00 175.55 174.16 1u9d s PHE 46 N -0.91 0.97 -0.16 2.71 5.36 -1.26 -4.99 117.98 119.70 1u9d s PHE 46 Ca 0.09 -0.18 -0.17 0.00 -0.96 0.00 0.00 56.93 55.70 1u9d s PHE 46 Cb -0.09 -0.62 0.05 0.00 -0.34 0.00 0.00 43.02 42.01 1u9d s PHE 46 CO 0.03 -0.02 0.48 0.00 -1.46 0.00 0.00 175.22 174.25 1u9d s ALA 47 N -0.26 -1.19 0.07 11.12 0.00 -1.26 -4.96 121.76 125.28 1u9d s ALA 47 Ca 0.04 1.26 -0.31 0.00 0.00 0.00 0.00 51.96 52.95 1u9d s ALA 47 Cb -0.04 -0.66 -0.07 0.00 0.00 0.00 0.00 23.12 22.35 1u9d s ALA 47 CO -0.00 -0.24 1.40 -2.00 0.00 0.00 0.00 175.76 174.92 1u9d s GLU 48 N 0.02 4.30 0.00 0.00 2.12 -1.26 -2.32 118.70 121.56 1u9d s GLU 48 Ca -0.02 2.04 0.00 0.00 0.36 0.00 0.00 54.97 57.35 1u9d s GLU 48 Cb -0.03 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.96 1u9d s GLU 48 CO 0.02 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.65 1u9d n GLY 49 N 3.57 0.49 0.00 -1.50 0.00 -1.26 -4.91 105.19 101.58 1u9d n GLY 49 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1u9d n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9d n GLY 50 N -2.00 2.19 3.74 -0.02 0.00 -0.98 -5.02 105.19 103.11 1u9d n GLY 50 Ca 0.00 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 1u9d n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u9d s VAL 51 N -2.00 5.14 0.05 1.61 1.01 -1.26 -4.72 120.40 120.23 1u9d s VAL 51 Ca 0.00 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 1u9d s VAL 51 Cb 0.00 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1u9d s VAL 51 CO 0.00 0.37 0.23 -0.31 0.00 0.00 0.00 175.10 175.39 1u9d s TYR 52 N 0.32 3.53 0.30 5.22 2.02 -1.26 -5.08 117.35 122.40 1u9d s TYR 52 Ca 0.26 0.35 -0.05 0.00 -0.37 0.00 0.00 57.07 57.26 1u9d s TYR 52 Cb -0.16 -1.83 0.08 0.00 -0.40 0.00 0.00 41.96 39.65 1u9d s TYR 52 CO 0.11 0.59 0.23 -0.35 -1.57 0.00 0.00 175.55 174.56 1u9d n PRO 53 N 0.51 -1.93 -3.61 -1.71 -0.04 -1.25 -4.83 135.00 122.14 1u9d n PRO 53 Ca -0.07 -0.37 -0.01 0.00 -0.04 0.00 0.00 63.50 63.01 1u9d n PRO 53 Cb 0.52 -0.40 -0.04 0.00 -0.04 0.00 0.00 33.50 33.54 1u9d n PRO 53 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1u9d s VAL 55 N -1.38 -0.90 -0.12 0.52 1.01 0.05 -1.78 120.40 117.80 1u9d s VAL 55 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1u9d s VAL 55 Cb -0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1u9d s VAL 55 CO 0.13 0.00 0.27 -1.61 0.00 0.00 0.00 175.10 173.88 1u9d s GLU 56 N 2.80 4.01 -0.28 2.72 2.02 -0.25 -0.91 118.70 128.81 1u9d s GLU 56 Ca -0.05 0.08 0.01 0.00 0.02 0.00 0.00 54.97 55.03 1u9d s GLU 56 Cb -0.11 -3.33 0.06 0.00 0.10 0.00 0.00 34.13 30.85 1u9d s GLU 56 CO -0.19 0.45 -0.06 0.08 0.02 0.00 0.00 175.26 175.56 1u9d s VAL 57 N -0.17 2.49 -0.20 2.63 1.01 0.19 -0.08 120.40 126.29 1u9d s VAL 57 Ca 0.17 -1.57 -0.14 0.00 0.00 0.00 0.00 61.98 60.43 1u9d s VAL 57 Cb -0.13 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1u9d s VAL 57 CO 0.05 -0.08 0.33 -0.76 0.00 0.00 0.00 175.10 174.64 1u9d s LEU 58 N 1.15 4.17 0.27 3.92 1.02 -0.17 -0.50 118.68 128.54 1u9d s LEU 58 Ca -0.07 0.45 -0.21 0.00 0.02 0.00 0.00 54.13 54.32 1u9d s LEU 58 Cb -0.20 -2.41 0.03 0.00 0.02 0.00 0.00 46.19 43.63 1u9d s LEU 58 CO -0.04 -0.01 0.76 -1.66 0.02 0.00 0.00 176.35 175.43 1u9d s TRP 59 N 1.04 -0.16 -0.49 0.29 1.48 -0.91 -1.10 118.94 119.09 1u9d s TRP 59 Ca 0.17 -0.30 0.26 0.00 -1.06 0.00 0.00 56.10 55.17 1u9d s TRP 59 Cb -0.14 0.71 0.81 0.00 -1.16 0.00 0.00 33.47 33.69 1u9d s TRP 59 CO 0.06 -1.20 1.75 0.74 -4.06 0.00 0.00 176.95 174.24 1u9d h PHE 60 N 2.00 0.00 0.00 1.66 0.04 -1.35 0.12 116.94 119.40 1u9d h PHE 60 Ca -0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1u9d h PHE 60 Cb 1.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1u9d h PHE 60 CO 0.50 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.62 1u9d n GLY 61 N 0.81 2.93 3.40 -1.45 0.00 -1.26 -4.71 105.19 104.90 1u9d n GLY 61 Ca 0.04 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.38 1u9d n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u9d s ARG 62 N -5.18 1.51 0.88 1.61 1.81 -1.26 -4.77 118.95 113.56 1u9d s ARG 62 Ca 0.00 -1.79 -0.11 0.00 -1.72 0.00 0.00 55.73 52.11 1u9d s ARG 62 Cb 0.00 -0.88 0.13 0.00 -0.45 0.00 0.00 34.95 33.75 1u9d s ARG 62 CO 0.00 -0.08 1.17 -1.83 -0.68 0.00 0.00 175.30 173.87 1u9d s GLU 63 N -3.83 1.20 0.27 3.54 -1.05 -1.26 -4.60 118.70 112.97 1u9d s GLU 63 Ca 0.31 1.62 0.00 0.00 -0.15 0.00 0.00 54.97 56.76 1u9d s GLU 63 Cb 0.06 -1.74 0.57 0.00 -0.44 0.00 0.00 34.13 32.58 1u9d s GLU 63 CO 0.12 -2.51 1.76 0.37 0.95 0.00 0.00 175.26 175.95 1u9d h GLN 64 N -1.58 0.62 -0.42 -4.83 5.75 -2.01 -1.60 115.11 111.05 1u9d h GLN 64 Ca -0.44 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 57.90 1u9d h GLN 64 Cb 1.28 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 1u9d h GLN 64 CO 0.43 0.41 -0.23 0.37 -2.65 0.00 0.00 178.83 177.16 1u9d h GLN 65 N 0.64 0.84 -0.39 1.69 4.15 -1.99 -0.77 115.11 119.27 1u9d h GLN 65 Ca 0.48 -0.35 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 1u9d h GLN 65 Cb 0.70 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1u9d h GLN 65 CO -0.37 0.99 -0.02 1.15 -1.93 0.00 0.00 178.83 178.64 1u9d h THR 66 N 0.73 1.26 -0.70 2.39 2.02 -1.71 -2.57 112.91 114.34 1u9d h THR 66 Ca 0.10 -1.05 0.06 0.00 0.77 0.00 0.00 66.41 66.29 1u9d h THR 66 Cb 0.76 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 1u9d h THR 66 CO 0.06 0.35 0.39 -0.61 0.37 0.00 0.00 175.52 176.09 1u9d h GLN 67 N 0.52 0.70 -0.84 6.66 4.15 -1.06 -1.59 115.11 123.64 1u9d h GLN 67 Ca 0.11 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1u9d h GLN 67 Cb 0.51 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1u9d h GLN 67 CO 0.02 0.46 0.47 -0.44 -1.93 0.00 0.00 178.83 177.42 1u9d h ASP 68 N 0.72 1.04 -0.26 -0.69 3.32 -1.02 -0.99 116.42 118.55 1u9d h ASP 68 Ca 0.31 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 1u9d h ASP 68 Cb 0.19 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1u9d h ASP 68 CO -0.19 0.83 -0.22 1.56 -1.72 0.00 0.00 179.24 179.50 1u9d h GLN 69 N 1.17 0.73 -0.32 3.56 1.08 -0.98 -2.02 115.11 118.33 1u9d h GLN 69 Ca 0.30 -0.29 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1u9d h GLN 69 Cb 0.01 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1u9d h GLN 69 CO -0.05 0.89 0.04 0.82 -0.95 0.00 0.00 178.83 179.58 1u9d h ILE 70 N 0.64 1.24 -0.73 2.54 2.04 -0.81 -0.72 117.51 121.72 1u9d h ILE 70 Ca 0.09 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.12 1u9d h ILE 70 Cb 0.72 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1u9d h ILE 70 CO 0.06 0.28 0.48 0.00 0.00 0.00 0.00 178.15 178.97 1u9d h ALA 71 N 0.88 1.55 -0.17 1.87 0.00 -1.10 -2.03 119.26 120.24 1u9d h ALA 71 Ca 0.10 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1u9d h ALA 71 Cb 0.38 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1u9d h ALA 71 CO 0.01 0.39 -0.60 1.96 0.00 0.00 0.00 179.25 181.01 1u9d h GLN 72 N 0.92 0.57 -0.20 0.00 1.08 -0.83 -2.16 115.11 114.49 1u9d h GLN 72 Ca 0.28 -0.38 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1u9d h GLN 72 Cb -0.00 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1u9d h GLN 72 CO -0.07 1.00 0.09 0.28 -0.95 0.00 0.00 178.83 179.17 1u9d h VAL 73 N 0.42 1.15 -0.36 -0.54 2.07 -0.74 -0.88 116.25 117.36 1u9d h VAL 73 Ca -0.00 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1u9d h VAL 73 Cb 1.16 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1u9d h VAL 73 CO 0.11 0.15 0.18 0.40 0.02 0.00 0.00 177.57 178.43 1u9d h ILE 74 N 0.18 1.16 -0.14 4.57 2.04 -1.39 -1.37 117.51 122.56 1u9d h ILE 74 Ca 0.07 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1u9d h ILE 74 Cb 0.16 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1u9d h ILE 74 CO -0.01 0.17 0.08 0.74 0.00 0.00 0.00 178.15 179.13 1u9d h THR 75 N 0.45 1.08 -0.56 -0.27 2.02 -1.28 -1.68 112.91 112.67 1u9d h THR 75 Ca 0.13 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1u9d h THR 75 Cb 0.11 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1u9d h THR 75 CO -0.02 0.07 0.35 0.44 0.37 0.00 0.00 175.52 176.73 1u9d h ASP 76 N 0.14 0.67 -0.51 4.18 3.32 -0.99 -0.38 116.42 122.85 1u9d h ASP 76 Ca 0.05 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1u9d h ASP 76 Cb 0.05 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1u9d h ASP 76 CO -0.01 0.52 0.13 1.56 -1.72 0.00 0.00 179.24 179.72 1u9d h GLN 77 N 0.76 0.81 -0.80 3.56 4.20 -1.11 -2.55 115.11 119.98 1u9d h GLN 77 Ca 0.20 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1u9d h GLN 77 Cb -0.03 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 1u9d h GLN 77 CO -0.04 0.78 0.44 0.82 -0.67 0.00 0.00 178.83 180.16 1u9d h ILE 78 N 0.70 1.23 -0.57 2.54 2.04 -1.08 -2.79 117.51 119.58 1u9d h ILE 78 Ca 0.16 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1u9d h ILE 78 Cb 0.33 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1u9d h ILE 78 CO 0.00 0.26 0.31 0.03 0.00 0.00 0.00 178.15 178.75 1u9d h ARG 79 N 1.11 0.77 0.00 2.37 3.08 -0.78 0.12 114.38 121.06 1u9d h ARG 79 Ca 0.28 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1u9d h ARG 79 Cb 0.02 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1u9d h ARG 79 CO -0.05 0.57 -0.11 1.96 -1.07 0.00 0.00 179.97 181.27 1u9d h GLN 80 N 0.78 0.00 0.00 0.04 4.20 -1.18 0.22 115.11 119.17 1u9d h GLN 80 Ca 0.20 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.62 1u9d h GLN 80 Cb 0.01 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1u9d h GLN 80 CO -0.03 0.11 -2.10 1.28 -0.67 0.00 0.00 178.83 177.42 1u9d n LEU 81 N -4.39 0.27 -0.00 1.46 4.77 -0.69 -4.68 117.00 113.75 1u9d n LEU 81 Ca -0.03 0.13 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 1u9d n LEU 81 Cb 0.19 0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1u9d n LEU 81 CO 0.35 0.38 -0.19 0.18 -1.33 0.00 0.00 177.39 176.78 1u9d n LEU 82 N -2.77 0.17 0.00 2.23 4.77 0.35 -5.10 117.00 116.65 1u9d n LEU 82 Ca -0.24 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1u9d n LEU 82 Cb 1.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 1u9d n LEU 82 CO 0.44 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1u9d n GLY 83 N 1.47 4.03 0.00 -0.72 0.00 0.77 -4.68 105.19 106.06 1u9d n GLY 83 Ca 0.00 -1.25 0.05 0.00 0.00 0.00 0.00 46.02 44.82 1u9d n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u9d n ALA 84 N -0.37 2.11 -0.98 4.61 0.00 -1.23 -2.42 120.51 122.23 1u9d n ALA 84 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1u9d n ALA 84 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1u9d n ALA 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u9d n ASP 85 N -0.77 0.02 -4.49 0.00 9.92 -1.26 -5.07 116.55 114.90 1u9d n ASP 85 Ca 0.07 -1.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.02 1u9d n ASP 85 Cb 0.03 0.00 0.18 0.00 -0.64 0.00 0.00 41.12 40.70 1u9d n ASP 85 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1u9d n SER 86 N -0.00 -1.26 -3.40 -2.24 3.41 -1.02 -4.97 113.62 104.15 1u9d n SER 86 Ca 0.00 0.14 -0.27 0.00 -0.26 0.00 0.00 58.87 58.49 1u9d n SER 86 Cb 0.31 -1.27 -0.08 0.00 -0.26 0.00 0.00 64.21 62.91 1u9d n SER 86 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1u9d n HIS 87 N -4.35 3.25 -2.21 7.33 -0.00 -1.26 -5.03 115.22 112.94 1u9d n HIS 87 Ca 0.06 -4.10 -0.41 0.00 -0.00 0.00 0.00 57.72 53.27 1u9d n HIS 87 Cb 0.55 -0.54 -0.03 0.00 -0.00 0.00 0.00 29.99 29.97 1u9d n HIS 87 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1u9d s LEU 88 N -2.35 4.42 -0.12 2.41 2.96 -1.26 -4.55 118.68 120.18 1u9d s LEU 88 Ca 0.39 2.43 -0.11 0.00 -0.22 0.00 0.00 54.13 56.62 1u9d s LEU 88 Cb 0.15 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 1u9d s LEU 88 CO -0.02 -0.52 0.23 0.00 -1.32 0.00 0.00 176.35 174.72 1u9d s ALA 89 N -0.04 3.73 -0.14 5.97 0.00 -0.73 -5.04 121.76 125.51 1u9d s ALA 89 Ca 0.56 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1u9d s ALA 89 Cb -0.37 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.57 1u9d s ALA 89 CO 0.40 0.37 -0.15 0.08 0.00 0.00 0.00 175.76 176.45 1u9d s VAL 90 N -0.38 1.60 -0.08 0.00 1.01 -1.26 -0.77 120.40 120.53 1u9d s VAL 90 Ca 0.16 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1u9d s VAL 90 Cb -0.13 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1u9d s VAL 90 CO 0.05 0.46 -0.19 0.54 0.00 0.00 0.00 175.10 175.97 1u9d s VAL 91 N 1.25 1.62 -0.18 2.92 0.11 -0.08 -4.98 120.40 121.06 1u9d s VAL 91 Ca -0.00 -0.77 -0.09 0.00 -2.93 0.00 0.00 61.98 58.19 1u9d s VAL 91 Cb -0.14 -1.42 -0.05 0.00 -1.53 0.00 0.00 36.38 33.24 1u9d s VAL 91 CO -0.07 0.46 0.11 -0.36 -3.33 0.00 0.00 175.10 171.91 1u9d s PHE 92 N 0.42 3.40 -0.22 1.54 0.08 -1.26 -0.64 117.98 121.30 1u9d s PHE 92 Ca -0.15 0.30 0.01 0.00 0.12 0.00 0.00 56.93 57.21 1u9d s PHE 92 Cb -0.16 -2.09 0.03 0.00 -0.57 0.00 0.00 43.02 40.23 1u9d s PHE 92 CO 0.06 0.34 -0.14 0.42 -0.10 0.00 0.00 175.22 175.79 1u9d s ILE 93 N 0.09 2.28 0.16 0.64 1.01 0.34 -4.95 121.20 120.78 1u9d s ILE 93 Ca 0.08 -1.15 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 1u9d s ILE 93 Cb -0.11 -2.11 -0.07 0.00 0.01 0.00 0.00 42.46 40.17 1u9d s ILE 93 CO -0.00 0.31 1.12 -2.16 0.00 0.00 0.00 174.94 174.20 1u9d s PRO 94 N 1.25 4.56 -0.01 2.79 0.04 -1.26 -2.14 135.00 140.23 1u9d s PRO 94 Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1u9d s PRO 94 Cb -0.16 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1u9d s PRO 94 CO -0.09 0.01 0.03 -0.51 0.04 0.00 0.00 177.00 176.49 1u9d s LEU 95 N -0.13 3.67 0.03 -3.56 1.43 0.40 -4.89 118.68 115.62 1u9d s LEU 95 Ca 0.51 0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 53.39 1u9d s LEU 95 Cb -0.29 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1u9d s LEU 95 CO 0.34 0.28 0.89 -1.10 0.23 0.00 0.00 176.35 177.00 1u9d s GLN 96 N -1.58 4.56 0.31 1.70 -1.52 -1.26 -4.39 119.66 117.48 1u9d s GLN 96 Ca 0.20 1.28 0.02 0.00 -1.95 0.00 0.00 55.36 54.91 1u9d s GLN 96 Cb -0.12 -3.42 0.58 0.00 -0.22 0.00 0.00 33.01 29.83 1u9d s GLN 96 CO 0.11 0.10 1.89 0.00 -0.25 0.00 0.00 175.29 177.14 1u9d h ARG 97 N 6.27 0.94 0.00 2.91 3.08 -1.91 -1.80 114.38 123.87 1u9d h ARG 97 Ca -0.42 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1u9d h ARG 97 Cb 1.21 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1u9d h ARG 97 CO 0.73 0.62 0.00 0.25 -1.07 0.00 0.00 179.97 180.51 1u9d n THR 98 N -4.53 0.60 -0.17 2.04 -2.24 -1.26 -2.04 114.28 106.69 1u9d n THR 98 Ca 0.15 0.15 0.07 0.00 -2.27 0.00 0.00 64.05 62.15 1u9d n THR 98 Cb 0.27 -0.85 0.18 0.00 -2.10 0.00 0.00 70.33 67.83 1u9d n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u9d n ALA 99 N -1.38 2.23 -3.79 6.98 0.00 -0.69 -4.84 120.51 119.03 1u9d n ALA 99 Ca 0.07 -1.15 -0.34 0.00 0.00 0.00 0.00 53.44 52.02 1u9d n ALA 99 Cb 0.17 -0.53 -0.15 0.00 0.00 0.00 0.00 19.45 18.94 1u9d n ALA 99 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1u9d s TYR 100 N -1.01 3.01 -0.07 0.00 5.04 -1.08 -4.95 117.35 118.28 1u9d s TYR 100 Ca 0.28 -1.54 0.03 0.00 -2.44 0.00 0.00 57.07 53.40 1u9d s TYR 100 Cb 0.15 -2.03 -0.02 0.00 0.35 0.00 0.00 41.96 40.40 1u9d s TYR 100 CO 0.19 -0.73 -0.14 0.71 -1.34 0.00 0.00 175.55 174.24 1u9d s TYR 101 N 1.33 2.73 -0.12 4.97 2.02 -1.26 -2.01 117.35 125.00 1u9d s TYR 101 Ca 0.01 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 1u9d s TYR 101 Cb -0.16 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.72 1u9d s TYR 101 CO -0.06 0.06 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.64 1u9d s LEU 102 N -0.40 1.85 -1.21 -1.29 2.96 -0.45 -4.66 118.68 115.48 1u9d s LEU 102 Ca 0.04 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 1u9d s LEU 102 Cb -0.12 -1.21 0.04 0.00 0.50 0.00 0.00 46.19 45.39 1u9d s LEU 102 CO 0.02 0.03 0.33 0.47 -1.32 0.00 0.00 176.35 175.88 1u9d n ASP 103 N 4.21 -3.96 0.00 3.68 8.00 -1.26 -2.00 116.55 125.21 1u9d n ASP 103 Ca -0.19 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1u9d n ASP 103 Cb 0.51 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.31 1u9d n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u9d n GLY 104 N -1.07 0.71 3.12 0.44 0.00 -1.26 -4.78 105.19 102.35 1u9d n GLY 104 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1u9d n GLY 104 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u9d s GLN 105 N -0.28 1.35 0.64 1.61 2.00 -0.85 -4.90 119.66 119.22 1u9d s GLN 105 Ca 0.00 -0.54 -0.06 0.00 -2.00 0.00 0.00 55.36 52.76 1u9d s GLN 105 Cb 0.00 -1.26 0.03 0.00 0.80 0.00 0.00 33.01 32.58 1u9d s GLN 105 CO 0.00 0.29 0.94 -3.38 -0.50 0.00 0.00 175.29 172.64 1u9d s HIS 106 N -0.21 3.06 -2.22 1.67 -3.43 -1.26 -1.34 115.29 111.56 1u9d s HIS 106 Ca 0.03 0.49 0.30 0.00 -0.80 0.00 0.00 55.06 55.08 1u9d s HIS 106 Cb -0.08 -2.94 1.53 0.00 -1.43 0.00 0.00 32.58 29.66 1u9d s HIS 106 CO 0.00 -1.09 2.02 1.19 -2.00 0.00 0.00 174.74 174.86