#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 1.99 -0.55 1.61 -7.23 -1.26 -4.64 120.40 110.32 1u9d s VAL -13 Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.11 1u9d s VAL -13 Cb 0.00 -2.88 0.14 0.00 0.56 0.00 0.00 36.38 34.20 1u9d s VAL -13 CO 0.00 0.00 0.39 -0.62 -0.31 0.00 0.00 175.10 174.56 1u9d s ASP -12 N -4.36 5.52 -0.24 4.85 2.15 -1.26 -4.90 116.67 118.44 1u9d s ASP -12 Ca 0.64 -2.36 0.14 0.00 0.43 0.00 0.00 52.55 51.40 1u9d s ASP -12 Cb -0.12 -1.93 0.81 0.00 -0.30 0.00 0.00 42.92 41.38 1u9d s ASP -12 CO 0.51 -0.53 1.74 0.18 -0.17 0.00 0.00 175.17 176.91 1u9d n LEU -11 N 4.22 5.67 -0.06 -1.34 4.77 -1.26 -4.17 117.00 124.83 1u9d n LEU -11 Ca 0.01 -2.95 -0.15 0.00 -0.03 0.00 0.00 56.01 52.89 1u9d n LEU -11 Cb 0.40 -0.68 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 1u9d n LEU -11 CO 0.36 0.64 -0.98 0.61 -1.33 0.00 0.00 177.39 176.69 1u9d n GLY -10 N 0.53 -0.68 3.72 -0.72 0.00 -1.26 -4.93 105.19 101.85 1u9d n GLY -10 Ca 0.28 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 5.15 0.12 2.61 -1.32 -1.26 -4.96 115.64 113.44 1u9d s THR -9 Ca -0.20 1.07 -0.31 0.00 -1.21 0.00 0.00 61.69 61.05 1u9d s THR -9 Cb 0.07 -3.87 -0.10 0.00 -1.51 0.00 0.00 72.50 67.09 1u9d s THR -9 CO 0.74 0.30 1.84 -1.61 -2.21 0.00 0.00 174.62 173.69 1u9d s GLU -8 N 0.69 4.13 -1.31 7.08 2.02 -1.26 -2.96 118.70 127.09 1u9d s GLU -8 Ca 0.29 2.60 0.00 0.00 0.02 0.00 0.00 54.97 57.88 1u9d s GLU -8 Cb -0.16 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.46 1u9d s GLU -8 CO 0.12 -0.85 0.00 0.09 0.02 0.00 0.00 175.26 174.64 1u9d n ASN -7 N 5.73 -4.46 -0.26 -0.19 3.02 -1.26 -4.90 115.26 112.94 1u9d n ASN -7 Ca 0.18 0.28 -0.05 0.00 -0.03 0.00 0.00 54.58 54.96 1u9d n ASN -7 Cb 0.38 -3.13 0.06 0.00 -0.61 0.00 0.00 39.78 36.48 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 0.81 -1.70 3.41 5.85 -1.87 -2.91 115.31 118.90 1u9d h LEU -6 Ca -0.26 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1u9d h LEU -6 Cb 0.86 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1u9d h LEU -6 CO 0.38 0.58 0.00 -1.22 -0.34 0.00 0.00 178.44 177.84 1u9d n TYR -5 N -4.60 0.44 -1.68 1.25 4.02 -1.26 -4.86 117.16 110.48 1u9d n TYR -5 Ca 0.07 -0.22 -0.42 0.00 -0.01 0.00 0.00 57.90 57.31 1u9d n TYR -5 Cb 0.02 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.34 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 0.88 2.03 0.23 -0.72 3.01 -1.10 -4.86 117.46 116.92 1u9d n PHE -4 Ca 0.17 0.56 0.06 0.00 1.01 0.00 0.00 57.45 59.26 1u9d n PHE -4 Cb 0.44 -2.37 0.54 0.00 -0.01 0.00 0.00 39.48 38.08 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 2.30 0.00 0.94 4.37 0.87 -1.92 -0.60 113.55 119.51 1u9d h SER -3 Ca -0.45 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 1u9d h SER -3 Cb 1.30 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1u9d h SER -3 CO 0.61 0.17 -0.13 0.77 -0.53 0.00 0.00 176.83 177.73 1u9d h SER -2 N 0.00 0.00 -1.97 6.23 4.64 -1.93 -3.38 113.55 117.15 1u9d h SER -2 Ca -0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1u9d h SER -2 Cb 0.32 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.28 1u9d h SER -2 CO 0.02 0.13 1.05 0.21 -0.87 0.00 0.00 176.83 177.37 1u9d s ASN -1 N -6.00 6.50 0.00 4.97 2.47 -0.23 -4.95 114.94 117.70 1u9d s ASN -1 Ca 0.01 -1.62 0.00 0.00 0.42 0.00 0.00 52.86 51.67 1u9d s ASN -1 Cb 0.10 -2.47 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 1u9d s ASN -1 CO 0.60 -1.31 0.00 0.00 -3.72 0.00 0.00 177.10 172.66 1u9d n ALA 0 N 7.68 0.00 -3.61 1.71 0.00 -1.26 -4.83 120.51 120.21 1u9d n ALA 0 Ca 0.23 -0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.55 1u9d n ALA 0 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.27 0.38 -0.28 0.00 0.05 -1.24 -0.98 135.00 132.66 1u9d s PRO 2 Ca 0.00 0.70 -0.05 0.00 0.05 0.00 0.00 61.00 61.69 1u9d s PRO 2 Cb 0.00 0.01 0.01 0.00 0.05 0.00 0.00 34.50 34.58 1u9d s PRO 2 CO 0.00 -0.14 0.04 -1.01 0.05 0.00 0.00 177.00 175.95 1u9d s HIS 3 N 1.12 3.13 -0.18 0.56 3.76 -0.20 -2.23 115.29 121.25 1u9d s HIS 3 Ca -0.07 -1.14 -0.13 0.00 -0.15 0.00 0.00 55.06 53.57 1u9d s HIS 3 Cb -0.07 -2.20 -0.05 0.00 1.11 0.00 0.00 32.58 31.37 1u9d s HIS 3 CO -0.09 -0.62 0.25 -0.51 -0.85 0.00 0.00 174.74 172.92 1u9d s LEU 4 N 1.45 4.21 -0.16 0.89 1.02 0.38 -1.25 118.68 125.22 1u9d s LEU 4 Ca 0.02 0.40 0.01 0.00 0.02 0.00 0.00 54.13 54.58 1u9d s LEU 4 Cb -0.17 -2.29 0.01 0.00 0.02 0.00 0.00 46.19 43.76 1u9d s LEU 4 CO 0.01 0.09 -0.19 -0.13 0.02 0.00 0.00 176.35 176.14 1u9d s ARG 5 N 0.62 3.06 -0.28 1.70 0.52 0.30 -0.41 118.95 124.46 1u9d s ARG 5 Ca 0.14 -0.82 -0.10 0.00 -0.52 0.00 0.00 55.73 54.43 1u9d s ARG 5 Cb -0.13 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 1u9d s ARG 5 CO 0.03 -0.09 0.16 -0.06 0.02 0.00 0.00 175.30 175.36 1u9d s PHE 6 N 1.02 3.18 0.04 -0.53 0.08 0.21 -1.17 117.98 120.81 1u9d s PHE 6 Ca -0.02 -0.12 0.09 0.00 0.12 0.00 0.00 56.93 57.00 1u9d s PHE 6 Cb -0.15 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 1u9d s PHE 6 CO -0.06 -0.26 -0.25 1.03 -0.10 0.00 0.00 175.22 175.58 1u9d s ARG 7 N 1.70 1.72 -1.47 0.44 0.52 -1.26 -1.75 118.95 118.86 1u9d s ARG 7 Ca 0.07 -1.05 -0.08 0.00 -0.52 0.00 0.00 55.73 54.14 1u9d s ARG 7 Cb -0.16 -1.86 0.03 0.00 0.52 0.00 0.00 34.95 33.48 1u9d s ARG 7 CO 0.09 0.48 0.80 0.00 0.02 0.00 0.00 175.30 176.68 1u9d n ALA 8 N 1.85 -1.12 -2.99 2.13 0.00 -1.26 -4.60 120.51 114.52 1u9d n ALA 8 Ca -0.17 0.27 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 1u9d n ALA 8 Cb 0.52 -4.24 -0.16 0.00 0.00 0.00 0.00 19.45 15.58 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 -3.20 1.04 0.47 0.00 -7.23 -1.26 -3.97 120.40 106.26 1u9d s VAL 9 Ca 0.45 -0.50 -0.24 0.00 -1.81 0.00 0.00 61.98 59.88 1u9d s VAL 9 Cb -0.21 -0.91 -0.07 0.00 0.56 0.00 0.00 36.38 35.75 1u9d s VAL 9 CO 0.55 0.31 1.34 -0.70 -0.31 0.00 0.00 175.10 176.29 1u9d s GLU 10 N 0.15 3.57 0.23 4.82 -6.30 -1.26 -4.88 118.70 115.03 1u9d s GLU 10 Ca -0.04 2.21 -0.07 0.00 -2.50 0.00 0.00 54.97 54.57 1u9d s GLU 10 Cb -0.10 -2.51 0.25 0.00 0.00 0.00 0.00 34.13 31.78 1u9d s GLU 10 CO 0.01 -0.83 1.88 0.00 0.02 0.00 0.00 175.26 176.33 1u9d h ALA 11 N 2.07 1.11 -0.19 6.30 0.00 -2.00 -2.35 119.26 124.20 1u9d h ALA 11 Ca -0.50 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 1u9d h ALA 11 Cb 1.27 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1u9d h ALA 11 CO 0.60 0.38 -0.29 0.45 0.00 0.00 0.00 179.25 180.38 1u9d h HIS 12 N 1.05 0.41 0.09 0.00 3.86 -1.99 -1.00 115.15 117.57 1u9d h HIS 12 Ca 0.34 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1u9d h HIS 12 Cb 0.01 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1u9d h HIS 12 CO -0.02 0.63 -0.04 0.82 0.86 0.00 0.00 177.93 180.17 1u9d h ILE 13 N 0.32 0.93 -0.99 2.45 1.08 -1.81 -2.42 117.51 117.08 1u9d h ILE 13 Ca 0.05 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.47 1u9d h ILE 13 Cb 0.68 0.96 -0.05 0.00 -3.07 0.00 0.00 36.82 35.34 1u9d h ILE 13 CO 0.05 0.01 0.65 0.58 -0.69 0.00 0.00 178.15 178.76 1u9d h VAL 14 N -0.15 1.24 -0.56 1.67 2.07 -1.15 -0.91 116.25 118.47 1u9d h VAL 14 Ca -0.01 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1u9d h VAL 14 Cb 0.12 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 29.66 1u9d h VAL 14 CO 0.02 0.24 0.15 -0.33 0.02 0.00 0.00 177.57 177.67 1u9d h GLU 15 N 1.33 0.85 -0.07 1.57 5.08 -1.04 -1.61 114.58 120.69 1u9d h GLU 15 Ca 0.37 -0.17 -0.20 0.00 -1.00 0.00 0.00 59.36 58.36 1u9d h GLU 15 Cb -0.14 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1u9d h GLU 15 CO -0.08 0.76 -0.79 0.77 -1.00 0.00 0.00 179.01 178.66 1u9d h SER 16 N 0.82 0.55 -0.04 1.42 0.02 -1.10 -3.35 113.55 111.87 1u9d h SER 16 Ca 0.18 -0.38 -0.16 0.00 -0.84 0.00 0.00 61.79 60.59 1u9d h SER 16 Cb 0.28 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1u9d h SER 16 CO -0.00 1.14 -0.51 0.25 -1.14 0.00 0.00 176.83 176.58 1u9d h LEU 17 N 0.30 0.67 -0.08 5.07 6.46 -0.62 -3.38 115.31 123.73 1u9d h LEU 17 Ca -0.05 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 1u9d h LEU 17 Cb 1.38 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1u9d h LEU 17 CO 0.14 1.06 0.02 0.58 -0.62 0.00 0.00 178.44 179.62 1u9d h VAL 18 N 0.48 1.19 -1.01 1.05 2.07 -1.45 0.84 116.25 119.42 1u9d h VAL 18 Ca 0.02 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1u9d h VAL 18 Cb 1.05 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 1u9d h VAL 18 CO 0.10 0.16 0.67 -0.65 0.02 0.00 0.00 177.57 177.87 1u9d h PRO 19 N -0.08 1.32 -0.09 1.57 0.11 -1.79 -0.37 132.00 132.66 1u9d h PRO 19 Ca 0.02 -0.08 -0.19 0.00 0.11 0.00 0.00 66.00 65.87 1u9d h PRO 19 Cb 0.24 -0.30 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 1u9d h PRO 19 CO -0.00 0.87 -0.73 1.79 -0.21 0.00 0.00 178.00 179.72 1u9d h THR 20 N 1.36 1.36 -0.54 -1.15 1.35 -1.66 -2.72 112.91 110.91 1u9d h THR 20 Ca 0.37 -2.10 -0.07 0.00 -0.55 0.00 0.00 66.41 64.07 1u9d h THR 20 Cb -0.14 2.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 1u9d h THR 20 CO -0.08 0.64 0.07 -0.07 -0.25 0.00 0.00 175.52 175.83 1u9d h LEU 21 N 0.33 0.87 -0.60 3.87 3.38 -0.45 -2.11 115.31 120.60 1u9d h LEU 21 Ca -0.03 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1u9d h LEU 21 Cb 1.31 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1u9d h LEU 21 CO 0.13 0.92 0.39 0.25 0.09 0.00 0.00 178.44 180.22 1u9d h LEU 22 N 0.78 0.68 0.04 1.67 5.85 -1.05 0.49 115.31 123.78 1u9d h LEU 22 Ca 0.16 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1u9d h LEU 22 Cb 0.43 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1u9d h LEU 22 CO 0.01 0.49 -0.11 0.78 -0.34 0.00 0.00 178.44 179.27 1u9d h ASN 23 N 0.80 -0.32 -0.29 1.25 2.35 -1.36 -1.57 115.58 116.45 1u9d h ASN 23 Ca 0.22 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 1u9d h ASN 23 Cb -0.08 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1u9d h ASN 23 CO -0.05 -0.17 -0.19 -0.08 -1.65 0.00 0.00 177.43 175.29 1u9d h GLU 24 N -0.21 0.64 -0.37 0.81 4.81 -1.14 -2.91 114.58 116.21 1u9d h GLU 24 Ca 0.03 -0.30 -0.15 0.00 -0.13 0.00 0.00 59.36 58.81 1u9d h GLU 24 Cb 0.24 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1u9d h GLU 24 CO -0.08 0.89 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.67 1u9d h LEU 25 N 0.38 0.89 -0.70 1.64 3.38 -0.90 -0.72 115.31 119.28 1u9d h LEU 25 Ca 0.06 -0.38 -0.12 0.00 0.09 0.00 0.00 57.88 57.52 1u9d h LEU 25 Cb 0.73 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1u9d h LEU 25 CO 0.05 1.14 -0.30 0.77 0.09 0.00 0.00 178.44 180.19 1u9d h SER 26 N 0.70 0.69 0.12 -0.43 4.64 -1.33 -0.81 113.55 117.12 1u9d h SER 26 Ca 0.07 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1u9d h SER 26 Cb 0.91 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1u9d h SER 26 CO 0.08 0.95 -0.06 0.28 -0.87 0.00 0.00 176.83 177.21 1u9d h SER 27 N 0.57 -0.13 -0.72 4.97 0.02 -1.47 -0.80 113.55 115.97 1u9d h SER 27 Ca 0.07 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1u9d h SER 27 Cb 0.80 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.32 1u9d h SER 27 CO 0.07 0.12 0.42 0.25 -1.14 0.00 0.00 176.83 176.55 1u9d h LEU 28 N -0.39 0.65 -1.23 5.07 5.85 -0.93 -2.96 115.31 121.37 1u9d h LEU 28 Ca -0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1u9d h LEU 28 Cb 0.32 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1u9d h LEU 28 CO 0.03 0.42 -0.24 0.18 -0.34 0.00 0.00 178.44 178.48 1u9d n LEU 29 N -4.73 2.16 -3.77 2.25 4.77 -0.33 -4.96 117.00 112.40 1u9d n LEU 29 Ca 0.09 -0.74 -0.25 0.00 -0.03 0.00 0.00 56.01 55.08 1u9d n LEU 29 Cb 0.17 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1u9d n LEU 29 CO 0.30 0.38 0.02 -1.20 -1.33 0.00 0.00 177.39 175.56 1u9d n SER 30 N 0.36 -2.81 -4.38 -1.43 7.64 -0.38 -4.90 113.62 107.72 1u9d n SER 30 Ca 0.12 -0.78 -0.28 0.00 1.01 0.00 0.00 58.87 58.93 1u9d n SER 30 Cb 0.48 -4.08 -0.13 0.00 -1.01 0.00 0.00 64.21 59.48 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 -3.51 2.19 0.39 0.44 2.01 -0.77 -5.00 115.64 111.39 1u9d s THR 31 Ca 0.28 -1.73 -0.27 0.00 0.31 0.00 0.00 61.69 60.28 1u9d s THR 31 Cb -0.14 -1.95 -0.11 0.00 0.01 0.00 0.00 72.50 70.32 1u9d s THR 31 CO 0.81 0.07 1.36 0.00 -0.69 0.00 0.00 174.62 176.17 1u9d n ALA 32 N 0.93 1.69 -0.00 7.40 0.00 -1.26 -4.68 120.51 124.58 1u9d n ALA 32 Ca -0.18 0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.67 1u9d n ALA 32 Cb 0.53 -2.32 0.52 0.00 0.00 0.00 0.00 19.45 18.18 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 2.49 0.35 0.00 0.00 3.08 -1.94 -1.90 114.38 116.45 1u9d h ARG 33 Ca -0.48 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1u9d h ARG 33 Cb 1.27 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1u9d h ARG 33 CO 0.62 0.23 0.00 0.27 -1.07 0.00 0.00 179.97 180.02 1u9d n ASN 34 N -4.47 0.00 0.02 7.04 0.23 -1.26 -3.31 115.26 113.50 1u9d n ASN 34 Ca 0.06 -1.17 0.13 0.00 -0.53 0.00 0.00 54.58 53.07 1u9d n ASN 34 Cb 0.26 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.40 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 -0.88 2.74 -2.78 -2.53 0.00 -0.71 -4.87 120.51 111.48 1u9d n ALA 35 Ca 0.17 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 1u9d n ALA 35 Cb 0.08 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.12 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 -3.03 3.29 0.07 0.00 0.08 -1.21 -3.70 117.98 113.49 1u9d s PHE 36 Ca 0.12 0.22 0.06 0.00 0.12 0.00 0.00 56.93 57.45 1u9d s PHE 36 Cb 0.17 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.84 1u9d s PHE 36 CO 0.61 0.55 -0.16 0.95 -0.10 0.00 0.00 175.22 177.07 1u9d s THR 37 N -1.16 1.32 -0.07 0.64 -4.23 -0.95 -5.03 115.64 106.17 1u9d s THR 37 Ca 0.21 -1.29 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 1u9d s THR 37 Cb -0.12 -1.22 0.01 0.00 1.34 0.00 0.00 72.50 72.52 1u9d s THR 37 CO 0.12 -0.10 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.61 1u9d s PHE 38 N -1.12 1.53 -0.06 3.99 0.08 -1.26 -0.47 117.98 120.68 1u9d s PHE 38 Ca 0.02 -0.57 0.02 0.00 0.12 0.00 0.00 56.93 56.52 1u9d s PHE 38 Cb -0.09 -1.11 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 1u9d s PHE 38 CO 0.03 -0.28 -0.11 -2.00 -0.10 0.00 0.00 175.22 172.76 1u9d s GLU 39 N 0.62 1.50 -0.24 0.44 2.12 0.45 -4.97 118.70 118.63 1u9d s GLU 39 Ca -0.15 -0.36 -0.15 0.00 0.36 0.00 0.00 54.97 54.68 1u9d s GLU 39 Cb -0.16 -1.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.92 1u9d s GLU 39 CO 0.04 0.02 0.37 -1.17 -0.54 0.00 0.00 175.26 173.98 1u9d s LEU 40 N 0.65 4.09 -0.16 2.70 2.96 -1.26 -0.62 118.68 127.04 1u9d s LEU 40 Ca -0.13 0.37 -0.15 0.00 -0.22 0.00 0.00 54.13 54.00 1u9d s LEU 40 Cb -0.15 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1u9d s LEU 40 CO 0.03 -0.13 0.34 -0.63 -1.32 0.00 0.00 176.35 174.64 1u9d s ILE 41 N 1.71 5.27 -0.72 6.68 -1.09 -0.71 -4.95 121.20 127.39 1u9d s ILE 41 Ca 0.16 0.65 -0.00 0.00 -2.23 0.00 0.00 60.65 59.22 1u9d s ILE 41 Cb -0.15 -3.68 0.39 0.00 -1.58 0.00 0.00 42.46 37.44 1u9d s ILE 41 CO 0.09 0.36 1.86 0.59 -1.23 0.00 0.00 174.94 176.60 1u9d n ASN 42 N 3.71 7.04 -4.92 3.58 4.13 -1.26 -4.72 115.26 122.81 1u9d n ASN 42 Ca -0.10 -3.81 -0.20 0.00 1.68 0.00 0.00 54.58 52.15 1u9d n ASN 42 Cb 0.52 -0.92 -0.02 0.00 -1.54 0.00 0.00 39.78 37.82 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 -5.05 3.13 -0.08 3.41 -4.23 -1.26 -5.12 115.64 106.44 1u9d s THR 43 Ca 0.55 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.85 1u9d s THR 43 Cb 0.45 -3.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 1u9d s THR 43 CO -0.26 -0.06 -0.10 -1.10 -0.54 0.00 0.00 174.62 172.55 1u9d s GLN 44 N -4.16 2.90 0.07 3.99 -1.52 -1.26 -4.86 119.66 114.82 1u9d s GLN 44 Ca 0.48 -0.62 0.09 0.00 -1.95 0.00 0.00 55.36 53.35 1u9d s GLN 44 Cb -0.06 -2.56 -0.03 0.00 -0.22 0.00 0.00 33.01 30.14 1u9d s GLN 44 CO 0.29 0.51 -0.24 0.71 -0.25 0.00 0.00 175.29 176.31 1u9d s TYR 45 N -0.41 2.10 -0.01 0.91 2.02 -1.26 -5.14 117.35 115.56 1u9d s TYR 45 Ca 0.05 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.39 1u9d s TYR 45 Cb -0.12 -1.22 -0.01 0.00 -0.40 0.00 0.00 41.96 40.21 1u9d s TYR 45 CO 0.02 0.17 -0.12 0.12 -1.57 0.00 0.00 175.55 174.17 1u9d s PHE 46 N -0.90 1.07 -0.09 2.71 5.36 -1.26 -4.99 117.98 119.89 1u9d s PHE 46 Ca 0.10 -0.20 -0.18 0.00 -0.96 0.00 0.00 56.93 55.68 1u9d s PHE 46 Cb -0.10 -0.69 0.04 0.00 -0.34 0.00 0.00 43.02 41.94 1u9d s PHE 46 CO 0.03 -0.02 0.44 0.00 -1.46 0.00 0.00 175.22 174.22 1u9d s ALA 47 N -0.29 -1.12 0.04 11.12 0.00 -1.26 -4.96 121.76 125.29 1u9d s ALA 47 Ca 0.05 0.93 -0.31 0.00 0.00 0.00 0.00 51.96 52.63 1u9d s ALA 47 Cb -0.05 -0.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 1u9d s ALA 47 CO -0.00 -0.26 1.33 -2.00 0.00 0.00 0.00 175.76 174.83 1u9d s GLU 48 N -0.63 4.33 0.00 0.00 2.12 -1.26 -2.26 118.70 121.00 1u9d s GLU 48 Ca -0.07 1.92 0.00 0.00 0.36 0.00 0.00 54.97 57.18 1u9d s GLU 48 Cb -0.03 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1u9d s GLU 48 CO 0.04 -0.45 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 1u9d n GLY 49 N 3.48 0.54 0.00 -1.50 0.00 -1.26 -4.89 105.19 101.56 1u9d n GLY 49 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 1.69 3.74 -0.02 0.00 -0.96 -5.02 105.19 102.62 1u9d n GLY 50 Ca 0.00 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.27 5.16 0.11 1.61 1.01 -1.26 -4.72 120.40 120.04 1u9d s VAL 51 Ca 0.00 0.93 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 1u9d s VAL 51 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1u9d s VAL 51 CO 0.00 0.37 0.28 -0.31 0.00 0.00 0.00 175.10 175.44 1u9d s TYR 52 N 0.36 3.50 0.31 5.22 2.02 -1.26 -5.07 117.35 122.43 1u9d s TYR 52 Ca 0.25 0.30 -0.05 0.00 -0.37 0.00 0.00 57.07 57.20 1u9d s TYR 52 Cb -0.15 -1.81 0.08 0.00 -0.40 0.00 0.00 41.96 39.68 1u9d s TYR 52 CO 0.11 0.52 0.23 -0.35 -1.57 0.00 0.00 175.55 174.49 1u9d n PRO 53 N -0.01 -2.01 -3.61 -1.71 -0.04 -1.25 -4.83 135.00 121.54 1u9d n PRO 53 Ca -0.05 -0.38 -0.02 0.00 -0.04 0.00 0.00 63.50 63.01 1u9d n PRO 53 Cb 0.52 -0.41 -0.05 0.00 -0.04 0.00 0.00 33.50 33.52 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 -0.69 -0.13 0.52 1.01 -0.24 -1.79 120.40 117.70 1u9d s VAL 55 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 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 0.20 -1.61 0.00 0.00 0.00 175.10 173.82 1u9d s GLU 56 N 2.52 3.83 -0.25 2.72 2.02 -0.31 -0.64 118.70 128.59 1u9d s GLU 56 Ca -0.06 -0.03 0.02 0.00 0.02 0.00 0.00 54.97 54.91 1u9d s GLU 56 Cb -0.09 -3.29 0.05 0.00 0.10 0.00 0.00 34.13 30.90 1u9d s GLU 56 CO -0.19 0.56 -0.10 0.08 0.02 0.00 0.00 175.26 175.63 1u9d s VAL 57 N -0.44 2.32 -0.26 2.63 1.01 0.76 -0.54 120.40 125.89 1u9d s VAL 57 Ca 0.15 -1.47 -0.13 0.00 0.00 0.00 0.00 61.98 60.53 1u9d s VAL 57 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1u9d s VAL 57 CO 0.04 0.05 0.28 -0.76 0.00 0.00 0.00 175.10 174.71 1u9d s LEU 58 N 1.16 4.07 0.33 3.92 1.02 -0.38 -0.23 118.68 128.57 1u9d s LEU 58 Ca -0.06 0.20 -0.14 0.00 0.02 0.00 0.00 54.13 54.15 1u9d s LEU 58 Cb -0.19 -2.28 0.03 0.00 0.02 0.00 0.00 46.19 43.77 1u9d s LEU 58 CO -0.05 -0.08 0.67 -1.66 0.02 0.00 0.00 176.35 175.25 1u9d s TRP 59 N 1.65 0.25 -0.92 0.29 1.48 -0.91 -1.03 118.94 119.75 1u9d s TRP 59 Ca 0.12 -0.75 0.28 0.00 -1.06 0.00 0.00 56.10 54.69 1u9d s TRP 59 Cb -0.15 0.55 1.07 0.00 -1.16 0.00 0.00 33.47 33.78 1u9d s TRP 59 CO 0.09 -1.33 1.85 1.19 -4.06 0.00 0.00 176.95 174.69 1u9d n PHE 60 N -0.50 0.28 0.00 1.66 3.72 -0.15 -0.57 117.46 121.91 1u9d n PHE 60 Ca -0.05 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1u9d n PHE 60 Cb 0.60 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 1u9d n PHE 60 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u9d n GLY 61 N 1.44 2.48 3.38 1.37 0.00 -1.26 -4.73 105.19 107.87 1u9d n GLY 61 Ca 0.06 -1.52 -0.19 0.00 0.00 0.00 0.00 46.02 44.37 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 -5.06 1.45 0.79 1.61 1.81 -1.26 -4.76 118.95 113.54 1u9d s ARG 62 Ca 0.00 -1.75 -0.14 0.00 -1.72 0.00 0.00 55.73 52.12 1u9d s ARG 62 Cb 0.00 -0.78 0.06 0.00 -0.45 0.00 0.00 34.95 33.78 1u9d s ARG 62 CO 0.00 -0.09 1.08 -0.85 -0.68 0.00 0.00 175.30 174.75 1u9d n GLU 63 N -0.51 0.24 -0.29 3.54 0.28 -1.26 -4.60 120.64 118.05 1u9d n GLU 63 Ca -0.04 0.15 0.11 0.00 -0.16 0.00 0.00 57.16 57.22 1u9d n GLU 63 Cb 0.64 -2.33 0.26 0.00 1.43 0.00 0.00 31.44 31.45 1u9d n GLU 63 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1u9d h GLN 64 N -0.76 0.23 -0.70 3.44 5.75 -2.01 -1.32 115.11 119.75 1u9d h GLN 64 Ca -0.46 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 57.96 1u9d h GLN 64 Cb 1.31 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.78 1u9d h GLN 64 CO 0.45 0.15 0.18 0.37 -2.65 0.00 0.00 178.83 177.34 1u9d h GLN 65 N 0.24 1.10 -0.27 1.69 5.75 -1.99 0.02 115.11 121.64 1u9d h GLN 65 Ca 0.52 -0.25 -0.06 0.00 -0.15 0.00 0.00 58.65 58.70 1u9d h GLN 65 Cb 1.01 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 1u9d h GLN 65 CO -0.61 0.96 -0.08 1.15 -2.65 0.00 0.00 178.83 177.60 1u9d h THR 66 N 1.05 1.29 -0.63 2.39 2.02 -1.62 -2.57 112.91 114.84 1u9d h THR 66 Ca 0.22 -1.12 0.09 0.00 0.77 0.00 0.00 66.41 66.37 1u9d h THR 66 Cb 0.35 1.45 -0.07 0.00 -1.74 0.00 0.00 68.15 68.14 1u9d h THR 66 CO -0.00 0.35 0.27 -0.61 0.37 0.00 0.00 175.52 175.91 1u9d h GLN 67 N 0.29 0.47 -0.93 6.66 4.15 -1.11 -1.07 115.11 123.57 1u9d h GLN 67 Ca 0.07 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.48 1u9d h GLN 67 Cb 0.57 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.10 1u9d h GLN 67 CO 0.03 0.31 0.61 -0.44 -1.93 0.00 0.00 178.83 177.42 1u9d h ASP 68 N 0.49 1.04 -0.54 -0.69 3.32 -0.87 -1.70 116.42 117.47 1u9d h ASP 68 Ca 0.31 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1u9d h ASP 68 Cb 0.34 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1u9d h ASP 68 CO -0.27 0.74 0.02 1.56 -1.72 0.00 0.00 179.24 179.57 1u9d h GLN 69 N 1.23 0.98 -0.36 3.56 1.08 -0.90 -1.98 115.11 118.71 1u9d h GLN 69 Ca 0.35 -0.29 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1u9d h GLN 69 Cb -0.08 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 1u9d h GLN 69 CO -0.09 0.95 0.11 0.82 -0.95 0.00 0.00 178.83 179.67 1u9d h ILE 70 N 0.91 1.21 -0.86 2.54 2.04 -0.86 -0.79 117.51 121.70 1u9d h ILE 70 Ca 0.17 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.39 1u9d h ILE 70 Cb 0.50 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 1u9d h ILE 70 CO 0.02 0.24 0.53 0.00 0.00 0.00 0.00 178.15 178.95 1u9d h ALA 71 N 0.95 1.18 -0.61 1.87 0.00 -1.23 -1.97 119.26 119.45 1u9d h ALA 71 Ca 0.12 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1u9d h ALA 71 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1u9d h ALA 71 CO -0.00 0.28 -0.00 0.37 0.00 0.00 0.00 179.25 179.90 1u9d h GLN 72 N 0.98 1.07 -0.15 0.00 5.75 -0.76 -1.80 115.11 120.20 1u9d h GLN 72 Ca 0.37 -0.34 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1u9d h GLN 72 Cb 0.16 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1u9d h GLN 72 CO -0.17 1.05 0.08 0.28 -2.65 0.00 0.00 178.83 177.42 1u9d h VAL 73 N 0.98 1.10 -0.57 2.39 2.07 -0.79 -1.23 116.25 120.20 1u9d h VAL 73 Ca 0.17 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1u9d h VAL 73 Cb 0.56 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1u9d h VAL 73 CO 0.03 0.09 0.30 0.40 0.02 0.00 0.00 177.57 178.41 1u9d h ILE 74 N 0.15 1.19 -0.32 4.57 2.04 -1.34 -1.41 117.51 122.38 1u9d h ILE 74 Ca 0.05 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1u9d h ILE 74 Cb 0.07 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1u9d h ILE 74 CO -0.01 0.21 0.11 0.74 0.00 0.00 0.00 178.15 179.20 1u9d h THR 75 N 0.76 1.20 -0.59 -0.27 2.02 -1.16 -1.98 112.91 112.89 1u9d h THR 75 Ca 0.20 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1u9d h THR 75 Cb 0.06 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1u9d h THR 75 CO -0.03 0.22 0.30 0.44 0.37 0.00 0.00 175.52 176.82 1u9d h ASP 76 N 0.37 0.77 -0.39 4.18 3.32 -1.03 -0.33 116.42 123.31 1u9d h ASP 76 Ca 0.11 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1u9d h ASP 76 Cb 0.23 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1u9d h ASP 76 CO -0.00 0.67 0.08 1.56 -1.72 0.00 0.00 179.24 179.83 1u9d h GLN 77 N 0.81 0.63 -0.80 3.56 4.20 -1.17 -2.47 115.11 119.87 1u9d h GLN 77 Ca 0.21 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1u9d h GLN 77 Cb 0.10 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1u9d h GLN 77 CO -0.03 0.67 0.47 0.82 -0.67 0.00 0.00 178.83 180.10 1u9d h ILE 78 N 0.49 1.22 -0.31 2.54 5.03 -1.17 -2.58 117.51 122.73 1u9d h ILE 78 Ca 0.12 -0.50 -0.04 0.00 -0.12 0.00 0.00 64.86 64.32 1u9d h ILE 78 Cb 0.34 0.10 -0.02 0.00 -3.03 0.00 0.00 36.82 34.21 1u9d h ILE 78 CO 0.00 0.24 0.02 0.03 -0.68 0.00 0.00 178.15 177.76 1u9d h ARG 79 N 1.11 0.47 -0.68 2.37 3.08 -0.82 0.42 114.38 120.32 1u9d h ARG 79 Ca 0.29 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.32 1u9d h ARG 79 Cb -0.03 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1u9d h ARG 79 CO -0.05 0.48 0.45 0.37 -1.07 0.00 0.00 179.97 180.15 1u9d h GLN 80 N 0.46 0.65 0.00 0.04 4.15 -1.03 0.30 115.11 119.68 1u9d h GLN 80 Ca 0.10 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 1u9d h GLN 80 Cb 0.27 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1u9d h GLN 80 CO 0.01 0.43 -1.89 1.28 -1.93 0.00 0.00 178.83 176.73 1u9d n LEU 81 N -4.48 0.22 0.00 -2.39 4.77 -0.73 -4.66 117.00 109.73 1u9d n LEU 81 Ca 0.10 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1u9d n LEU 81 Cb 0.25 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1u9d n LEU 81 CO 0.34 0.11 0.05 0.18 -1.33 0.00 0.00 177.39 176.74 1u9d n LEU 82 N -2.51 0.21 0.00 2.23 4.77 0.06 -5.10 117.00 116.66 1u9d n LEU 82 Ca -0.11 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1u9d n LEU 82 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1u9d n LEU 82 CO 0.44 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1u9d n GLY 83 N 0.69 3.70 0.00 -0.72 0.00 0.10 -4.55 105.19 104.41 1u9d n GLY 83 Ca 0.00 -1.44 0.04 0.00 0.00 0.00 0.00 46.02 44.62 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 0.01 1.96 -0.99 4.61 0.00 -1.23 -2.39 120.51 122.48 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 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1u9d n ALA 84 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1u9d n ASP 85 N -0.84 0.02 -4.45 0.00 2.03 -1.26 -5.06 116.55 106.98 1u9d n ASP 85 Ca 0.07 -1.01 -0.34 0.00 0.52 0.00 0.00 54.79 54.03 1u9d n ASP 85 Cb 0.03 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.53 1u9d n ASP 85 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1u9d n SER 86 N -0.00 -1.53 -3.44 1.67 3.41 -1.00 -4.95 113.62 107.78 1u9d n SER 86 Ca 0.00 0.46 -0.31 0.00 -0.26 0.00 0.00 58.87 58.76 1u9d n SER 86 Cb 0.43 -1.23 -0.05 0.00 -0.26 0.00 0.00 64.21 63.10 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 -3.04 3.43 -2.13 7.33 -0.00 -1.26 -5.03 115.22 114.53 1u9d n HIS 87 Ca 0.08 -3.74 -0.41 0.00 -0.00 0.00 0.00 57.72 53.65 1u9d n HIS 87 Cb 0.52 -0.71 -0.03 0.00 -0.00 0.00 0.00 29.99 29.77 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 -2.86 4.40 -0.12 2.41 2.96 -1.26 -4.59 118.68 119.61 1u9d s LEU 88 Ca 0.40 2.52 -0.10 0.00 -0.22 0.00 0.00 54.13 56.73 1u9d s LEU 88 Cb 0.16 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 1u9d s LEU 88 CO -0.02 -0.60 0.20 0.00 -1.32 0.00 0.00 176.35 174.61 1u9d s ALA 89 N 0.07 3.77 -0.11 5.97 0.00 -0.74 -5.04 121.76 125.67 1u9d s ALA 89 Ca 0.58 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1u9d s ALA 89 Cb -0.39 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.61 1u9d s ALA 89 CO 0.40 0.42 -0.13 0.08 0.00 0.00 0.00 175.76 176.54 1u9d s VAL 90 N -0.52 1.34 -0.08 0.00 1.01 -1.26 -1.08 120.40 119.82 1u9d s VAL 90 Ca 0.15 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1u9d s VAL 90 Cb -0.13 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1u9d s VAL 90 CO 0.04 0.41 -0.16 0.54 0.00 0.00 0.00 175.10 175.94 1u9d s VAL 91 N 1.24 1.42 -0.17 2.92 0.11 0.19 -4.97 120.40 121.13 1u9d s VAL 91 Ca -0.02 -0.64 -0.08 0.00 -2.93 0.00 0.00 61.98 58.31 1u9d s VAL 91 Cb -0.14 -1.27 -0.05 0.00 -1.53 0.00 0.00 36.38 33.40 1u9d s VAL 91 CO -0.05 0.42 0.11 -0.36 -3.33 0.00 0.00 175.10 171.90 1u9d s PHE 92 N 0.62 3.42 -0.21 1.54 0.08 -1.26 -0.17 117.98 121.99 1u9d s PHE 92 Ca -0.15 0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.24 1u9d s PHE 92 Cb -0.16 -2.07 0.03 0.00 -0.57 0.00 0.00 43.02 40.25 1u9d s PHE 92 CO 0.05 0.38 -0.17 0.42 -0.10 0.00 0.00 175.22 175.80 1u9d s ILE 93 N -0.04 2.10 0.13 0.64 1.01 0.68 -4.93 121.20 120.79 1u9d s ILE 93 Ca 0.09 -1.18 -0.30 0.00 0.00 0.00 0.00 60.65 59.25 1u9d s ILE 93 Cb -0.12 -2.01 -0.07 0.00 0.01 0.00 0.00 42.46 40.28 1u9d s ILE 93 CO 0.00 0.34 1.25 -2.16 0.00 0.00 0.00 174.94 174.38 1u9d s PRO 94 N 1.22 4.42 0.04 2.79 0.04 -1.26 -2.14 135.00 140.12 1u9d s PRO 94 Ca 0.00 1.90 0.02 0.00 0.04 0.00 0.00 61.00 62.97 1u9d s PRO 94 Cb -0.15 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1u9d s PRO 94 CO -0.10 -0.24 0.03 -0.51 0.04 0.00 0.00 177.00 176.21 1u9d s LEU 95 N 0.54 3.61 -0.03 -3.56 1.43 0.27 -4.90 118.68 116.03 1u9d s LEU 95 Ca 0.58 -0.03 -0.25 0.00 -1.03 0.00 0.00 54.13 53.40 1u9d s LEU 95 Cb -0.33 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1u9d s LEU 95 CO 0.33 0.23 0.77 -1.10 0.23 0.00 0.00 176.35 176.81 1u9d s GLN 96 N -1.94 4.47 0.40 1.70 -1.52 -1.26 -4.44 119.66 117.07 1u9d s GLN 96 Ca 0.24 1.03 0.08 0.00 -1.95 0.00 0.00 55.36 54.75 1u9d s GLN 96 Cb -0.12 -3.43 0.84 0.00 -0.22 0.00 0.00 33.01 30.08 1u9d s GLN 96 CO 0.15 0.08 2.02 0.00 -0.25 0.00 0.00 175.29 177.29 1u9d h ARG 97 N 6.57 0.59 0.00 2.91 3.08 -1.91 -1.80 114.38 123.82 1u9d h ARG 97 Ca -0.42 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1u9d h ARG 97 Cb 1.20 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1u9d h ARG 97 CO 0.74 0.39 0.00 0.25 -1.07 0.00 0.00 179.97 180.29 1u9d n THR 98 N -4.47 0.48 -0.22 2.04 -2.24 -1.25 -1.83 114.28 106.78 1u9d n THR 98 Ca 0.06 0.12 0.06 0.00 -2.27 0.00 0.00 64.05 62.02 1u9d n THR 98 Cb 0.15 -0.78 0.16 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.36 2.23 -3.80 6.98 0.00 -0.69 -4.84 120.51 119.02 1u9d n ALA 99 Ca 0.08 -1.21 -0.34 0.00 0.00 0.00 0.00 53.44 51.96 1u9d n ALA 99 Cb 0.18 -0.45 -0.15 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.11 3.01 -0.08 0.00 5.04 -1.11 -4.94 117.35 118.15 1u9d s TYR 100 Ca 0.24 -1.55 0.03 0.00 -2.44 0.00 0.00 57.07 53.35 1u9d s TYR 100 Cb 0.13 -2.03 -0.02 0.00 0.35 0.00 0.00 41.96 40.40 1u9d s TYR 100 CO 0.15 -0.73 -0.17 0.71 -1.34 0.00 0.00 175.55 174.17 1u9d s TYR 101 N 1.32 2.67 -0.13 4.97 2.02 -1.26 -1.92 117.35 125.02 1u9d s TYR 101 Ca 0.01 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 1u9d s TYR 101 Cb -0.16 -1.69 0.02 0.00 -0.40 0.00 0.00 41.96 39.73 1u9d s TYR 101 CO -0.06 -0.05 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.53 1u9d s LEU 102 N -0.23 1.86 -1.60 -1.29 2.96 -0.62 -4.66 118.68 115.11 1u9d s LEU 102 Ca 0.00 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.24 1u9d s LEU 102 Cb -0.13 -1.25 0.13 0.00 0.50 0.00 0.00 46.19 45.44 1u9d s LEU 102 CO 0.03 0.02 0.78 0.47 -1.32 0.00 0.00 176.35 176.32 1u9d n ASP 103 N 4.34 -3.68 0.00 3.68 8.00 -1.26 -2.09 116.55 125.54 1u9d n ASP 103 Ca -0.19 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1u9d n ASP 103 Cb 0.51 -3.00 0.00 0.00 -0.02 0.00 0.00 41.12 38.61 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 -1.40 0.73 3.02 0.44 0.00 -1.26 -4.76 105.19 101.96 1u9d n GLY 104 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.20 0.99 0.71 1.61 2.00 -0.89 -4.96 119.66 118.94 1u9d s GLN 105 Ca 0.00 -0.34 -0.08 0.00 -2.00 0.00 0.00 55.36 52.94 1u9d s GLN 105 Cb 0.00 -0.93 0.06 0.00 0.80 0.00 0.00 33.01 32.94 1u9d s GLN 105 CO 0.00 0.15 1.04 -3.38 -0.50 0.00 0.00 175.29 172.60 1u9d s HIS 106 N 0.07 2.98 -2.31 1.67 -3.43 -1.26 -1.58 115.29 111.44 1u9d s HIS 106 Ca -0.01 0.56 0.30 0.00 -0.80 0.00 0.00 55.06 55.10 1u9d s HIS 106 Cb -0.08 -3.20 1.38 0.00 -1.43 0.00 0.00 32.58 29.26 1u9d s HIS 106 CO 0.00 -1.40 1.93 1.19 -2.00 0.00 0.00 174.74 174.46