#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4t s ALA 3 N 0.00 3.26 -0.07 1.69 0.00 -1.26 -0.76 121.76 124.62 1i4t s ALA 3 Ca 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.81 1i4t s ALA 3 Cb 0.00 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 1i4t s ALA 3 CO 0.00 -0.62 -0.22 0.42 0.00 0.00 0.00 175.76 175.34 1i4t s ILE 4 N 1.64 2.35 -0.36 0.00 1.09 -0.89 -5.02 121.20 120.01 1i4t s ILE 4 Ca 0.06 -0.95 -0.10 0.00 -1.10 0.00 0.00 60.65 58.56 1i4t s ILE 4 Cb -0.16 -1.89 0.03 0.00 -1.06 0.00 0.00 42.46 39.37 1i4t s ILE 4 CO 0.06 0.56 0.18 -0.75 -0.10 0.00 0.00 174.94 174.89 1i4t s LYS 5 N -0.08 2.84 -0.18 2.79 2.20 -1.26 -0.47 119.74 125.57 1i4t s LYS 5 Ca -0.05 -1.06 -0.02 0.00 -0.36 0.00 0.00 55.97 54.47 1i4t s LYS 5 Cb -0.14 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 1i4t s LYS 5 CO 0.04 -0.66 -0.07 0.00 -0.36 0.00 0.00 175.35 174.30 1i4t s VAL 7 N 0.87 3.22 -0.32 0.00 1.01 -1.07 0.24 120.40 124.36 1i4t s VAL 7 Ca -0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1i4t s VAL 7 Cb -0.15 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1i4t s VAL 7 CO 0.01 0.51 0.21 -0.69 0.00 0.00 0.00 175.10 175.14 1i4t s VAL 8 N 0.46 5.15 0.52 2.92 1.01 -0.20 -1.46 120.40 128.80 1i4t s VAL 8 Ca -0.08 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1i4t s VAL 8 Cb -0.15 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1i4t s VAL 8 CO 0.04 0.09 0.00 0.68 0.00 0.00 0.00 175.10 175.91 1i4t s VAL 9 N 1.71 1.07 0.00 2.92 -7.23 -0.84 -3.48 120.40 114.55 1i4t s VAL 9 Ca 0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1i4t s VAL 9 Cb -0.17 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1i4t s VAL 9 CO 0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1i4t n GLY 10 N -1.29 4.06 0.00 2.32 0.00 -1.26 -0.87 105.19 108.15 1i4t n GLY 10 Ca -0.21 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1i4t n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i4t n ASP 11 N 0.00 0.00 -4.65 1.61 -0.08 -1.25 -4.65 116.55 107.52 1i4t n ASP 11 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 1i4t n ASP 11 Cb 0.00 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.52 1i4t n ASP 11 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1i4t n GLY 12 N 0.00 -0.05 1.68 0.27 0.00 -1.24 -2.71 105.19 103.14 1i4t n GLY 12 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1i4t n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4t n ALA 13 N -1.95 0.00 -0.01 4.61 0.00 -1.26 -4.92 120.51 116.97 1i4t n ALA 13 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 1i4t n ALA 13 Cb 0.48 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.08 1i4t n ALA 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1i4t h VAL 14 N 0.00 1.28 0.00 0.00 -1.51 -1.80 -3.48 116.25 110.74 1i4t h VAL 14 Ca 0.00 -1.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.09 1i4t h VAL 14 Cb 0.00 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1i4t h VAL 14 CO 0.00 0.44 0.00 0.61 -1.23 0.00 0.00 177.57 177.39 1i4t n GLY 15 N -0.24 1.99 0.27 5.19 0.00 -1.26 -4.64 105.19 106.51 1i4t n GLY 15 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1i4t n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i4t h LYS 16 N 0.00 0.90 -0.25 1.61 1.57 -1.92 0.17 116.57 118.65 1i4t h LYS 16 Ca 0.00 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 1i4t h LYS 16 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1i4t h LYS 16 CO 0.00 0.83 -0.09 1.15 -0.57 0.00 0.00 179.45 180.78 1i4t h THR 17 N 0.81 1.29 0.00 -0.16 2.02 -1.96 -2.42 112.91 112.49 1i4t h THR 17 Ca 0.18 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.20 1i4t h THR 17 Cb 0.33 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1i4t h THR 17 CO -0.00 0.35 -0.16 0.00 0.37 0.00 0.00 175.52 176.08 1i4t h LEU 19 N 0.00 0.33 0.00 0.00 5.85 -0.59 -1.99 115.31 118.91 1i4t h LEU 19 Ca -0.00 -0.12 -0.29 0.00 0.84 0.00 0.00 57.88 58.31 1i4t h LEU 19 Cb 0.34 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1i4t h LEU 19 CO 0.02 0.65 -1.75 0.18 -0.34 0.00 0.00 178.44 177.20 1i4t n LEU 20 N -4.08 0.81 0.10 2.25 4.77 -0.72 -3.26 117.00 116.87 1i4t n LEU 20 Ca -0.01 0.38 -0.18 0.00 -0.03 0.00 0.00 56.01 56.17 1i4t n LEU 20 Cb 0.44 0.19 -0.14 0.00 -2.33 0.00 0.00 43.42 41.57 1i4t n LEU 20 CO 0.42 0.38 -0.18 0.40 -1.33 0.00 0.00 177.39 177.08 1i4t h ILE 21 N 0.00 1.35 0.31 -0.08 2.04 -1.32 -2.43 117.51 117.37 1i4t h ILE 21 Ca -0.30 -2.91 -0.02 0.00 1.00 0.00 0.00 64.86 62.64 1i4t h ILE 21 Cb 2.01 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 41.00 1i4t h ILE 21 CO 0.07 0.86 -0.15 -1.28 0.00 0.00 0.00 178.15 177.65 1i4t h SER 22 N 0.09 -0.35 -0.88 1.72 0.87 -1.36 -0.23 113.55 113.40 1i4t h SER 22 Ca -0.19 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1i4t h SER 22 Cb 2.02 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 64.03 1i4t h SER 22 CO 0.20 -0.11 0.56 0.22 -0.53 0.00 0.00 176.83 177.18 1i4t h TYR 23 N -0.59 1.14 0.04 2.24 3.20 -1.65 0.28 116.97 121.62 1i4t h TYR 23 Ca -0.04 0.01 -0.32 0.00 3.14 0.00 0.00 58.73 61.52 1i4t h TYR 23 Cb 0.43 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 1i4t h TYR 23 CO -0.01 0.73 -1.87 0.25 -1.64 0.00 0.00 178.16 175.62 1i4t n THR 24 N -4.38 1.65 0.25 1.81 -2.24 -0.91 -4.52 114.28 105.92 1i4t n THR 24 Ca 0.10 -0.75 0.03 0.00 -2.27 0.00 0.00 64.05 61.16 1i4t n THR 24 Cb 0.04 -1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 67.03 1i4t n THR 24 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1i4t n THR 25 N -3.17 0.00 -3.32 4.28 -2.24 -0.11 -5.04 114.28 104.68 1i4t n THR 25 Ca -0.24 -0.41 -0.16 0.00 -2.27 0.00 0.00 64.05 60.97 1i4t n THR 25 Cb 1.06 1.04 0.07 0.00 -2.10 0.00 0.00 70.33 70.40 1i4t n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i4t n ASN 26 N -0.69 -5.42 -3.63 3.42 3.02 0.98 -5.00 115.26 107.94 1i4t n ASN 26 Ca 0.02 -0.70 -0.11 0.00 -0.03 0.00 0.00 54.58 53.75 1i4t n ASN 26 Cb 0.10 -5.10 -0.07 0.00 -0.61 0.00 0.00 39.78 34.10 1i4t n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i4t s ALA 27 N -3.39 -1.87 0.26 5.41 0.00 -1.25 -5.02 121.76 115.90 1i4t s ALA 27 Ca 0.35 2.02 -0.29 0.00 0.00 0.00 0.00 51.96 54.03 1i4t s ALA 27 Cb -0.05 -1.31 -0.09 0.00 0.00 0.00 0.00 23.12 21.67 1i4t s ALA 27 CO 0.74 -0.31 1.20 0.12 0.00 0.00 0.00 175.76 177.51 1i4t s PHE 28 N 0.48 3.37 -1.45 0.00 5.36 -1.26 -3.34 117.98 121.13 1i4t s PHE 28 Ca -0.00 1.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 1i4t s PHE 28 Cb -0.05 -3.46 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 1i4t s PHE 28 CO -0.04 -1.19 0.62 -2.30 -1.46 0.00 0.00 175.22 170.85 1i4t n PRO 29 N 1.56 0.00 0.00 10.12 -0.02 -1.26 -4.58 135.00 140.82 1i4t n PRO 29 Ca 0.01 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1i4t n PRO 29 Cb 0.44 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1i4t n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i4t n GLY 30 N -1.12 -2.48 3.56 -1.23 0.00 -1.26 -2.24 105.19 100.43 1i4t n GLY 30 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 1i4t n GLY 30 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1i4t n GLU 31 N 0.00 -1.66 0.00 1.61 -0.00 -1.26 -3.19 120.64 116.14 1i4t n GLU 31 Ca 0.00 1.11 0.00 0.00 -0.00 0.00 0.00 57.16 58.27 1i4t n GLU 31 Cb 0.00 -2.95 0.00 0.00 -0.00 0.00 0.00 31.44 28.49 1i4t n GLU 31 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1i4t n TYR 32 N -1.77 0.00 -2.20 -1.84 4.02 -1.26 -4.70 117.16 109.40 1i4t n TYR 32 Ca -0.19 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.69 1i4t n TYR 32 Cb 0.65 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.96 1i4t n TYR 32 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1i4t n ILE 33 N -0.64 -8.31 -2.46 -0.72 2.08 -0.95 -5.01 119.36 103.35 1i4t n ILE 33 Ca 0.00 1.29 -0.39 0.00 0.56 0.00 0.00 62.75 64.20 1i4t n ILE 33 Cb 0.00 -5.63 -0.04 0.00 -0.75 0.00 0.00 39.64 33.22 1i4t n ILE 33 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1i4t s PRO 34 N -0.92 4.46 0.00 0.38 0.04 -1.26 -4.83 135.00 132.87 1i4t s PRO 34 Ca -0.05 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1i4t s PRO 34 Cb 0.00 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1i4t s PRO 34 CO 0.47 0.06 0.00 2.41 0.04 0.00 0.00 177.00 179.98 1i4t n THR 35 N 0.76 0.00 -1.41 1.26 -1.04 -1.26 -4.89 114.28 107.71 1i4t n THR 35 Ca 0.01 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.67 1i4t n THR 35 Cb 0.46 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 69.07 1i4t n THR 35 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i4t s VAL 36 N 0.00 2.15 -1.16 12.58 1.01 -1.26 -3.27 120.40 130.45 1i4t s VAL 36 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1i4t s VAL 36 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1i4t s VAL 36 CO 0.00 -0.04 0.00 0.49 0.00 0.00 0.00 175.10 175.55 1i4t n PHE 37 N -2.70 -0.39 -1.89 5.22 3.01 -1.26 -4.93 117.46 114.51 1i4t n PHE 37 Ca 0.14 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.29 1i4t n PHE 37 Cb 0.50 -2.33 0.01 0.00 -0.01 0.00 0.00 39.48 37.65 1i4t n PHE 37 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1i4t s ASP 38 N -1.94 6.02 0.24 4.37 -1.08 -1.20 -5.01 116.67 118.08 1i4t s ASP 38 Ca 0.00 1.53 0.11 0.00 -0.52 0.00 0.00 52.55 53.67 1i4t s ASP 38 Cb 0.00 -2.49 -0.05 0.00 -1.46 0.00 0.00 42.92 38.93 1i4t s ASP 38 CO 0.00 -1.01 -0.15 0.20 0.52 0.00 0.00 175.17 174.73 1i4t s ASN 39 N -3.77 3.85 0.13 -0.34 0.01 -1.26 -4.50 114.94 109.06 1i4t s ASN 39 Ca 0.57 -0.85 0.06 0.00 -0.71 0.00 0.00 52.86 51.93 1i4t s ASN 39 Cb -0.12 -0.47 -0.04 0.00 0.41 0.00 0.00 41.25 41.03 1i4t s ASN 39 CO 0.49 0.06 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.69 1i4t s TYR 40 N -2.18 1.39 0.09 2.20 1.51 -0.58 -5.03 117.35 114.75 1i4t s TYR 40 Ca 0.28 -0.58 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1i4t s TYR 40 Cb -0.06 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 41.03 1i4t s TYR 40 CO 0.15 0.14 0.02 -1.54 -1.11 0.00 0.00 175.55 173.22 1i4t s SER 41 N -2.57 0.38 -0.11 2.29 1.04 -1.26 0.79 113.70 114.27 1i4t s SER 41 Ca 0.10 -1.08 -0.19 0.00 0.48 0.00 0.00 55.95 55.26 1i4t s SER 41 Cb -0.04 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.38 1i4t s SER 41 CO 0.03 -0.67 0.47 0.00 0.98 0.00 0.00 173.24 174.05 1i4t s ALA 42 N -3.98 -1.18 -0.26 5.32 0.00 0.94 -4.95 121.76 117.66 1i4t s ALA 42 Ca 0.15 1.06 -0.08 0.00 0.00 0.00 0.00 51.96 53.09 1i4t s ALA 42 Cb 0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1i4t s ALA 42 CO -0.04 -0.26 0.09 -0.80 0.00 0.00 0.00 175.76 174.74 1i4t s ASN 43 N -0.46 5.27 0.04 0.00 0.01 -1.26 0.44 114.94 118.99 1i4t s ASN 43 Ca -0.06 -0.23 0.04 0.00 -0.71 0.00 0.00 52.86 51.91 1i4t s ASN 43 Cb -0.03 -1.95 -0.02 0.00 0.41 0.00 0.00 41.25 39.65 1i4t s ASN 43 CO 0.03 -0.05 -0.12 0.68 -1.51 0.00 0.00 177.10 176.13 1i4t s VAL 44 N 1.63 0.91 -0.54 1.60 -7.23 -0.63 -4.99 120.40 111.15 1i4t s VAL 44 Ca 0.06 -1.01 -0.19 0.00 -1.81 0.00 0.00 61.98 59.03 1i4t s VAL 44 Cb -0.15 -0.87 0.08 0.00 0.56 0.00 0.00 36.38 36.00 1i4t s VAL 44 CO 0.05 -0.13 0.64 -0.04 -0.31 0.00 0.00 175.10 175.30 1i4t s MET 45 N -1.28 3.07 -0.69 4.82 -1.94 -1.26 -1.41 119.30 120.61 1i4t s MET 45 Ca -0.02 -1.15 -0.10 0.00 -1.71 0.00 0.00 55.69 52.71 1i4t s MET 45 Cb -0.08 -4.18 0.18 0.00 2.01 0.00 0.00 34.83 32.75 1i4t s MET 45 CO 0.01 -1.35 0.59 0.08 -0.01 0.00 0.00 175.02 174.34 1i4t s VAL 46 N 2.53 4.85 -0.59 -6.03 1.01 -0.34 -4.71 120.40 117.12 1i4t s VAL 46 Ca 0.12 -2.42 -0.05 0.00 0.00 0.00 0.00 61.98 59.64 1i4t s VAL 46 Cb -0.22 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1i4t s VAL 46 CO 0.09 -0.94 0.62 0.47 0.00 0.00 0.00 175.10 175.34 1i4t n ASP 47 N 4.09 -7.40 -1.16 3.32 8.00 -1.26 -3.10 116.55 119.04 1i4t n ASP 47 Ca 0.06 0.12 -0.11 0.00 0.71 0.00 0.00 54.79 55.57 1i4t n ASP 47 Cb 0.43 -5.01 -0.05 0.00 -0.02 0.00 0.00 41.12 36.47 1i4t n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i4t n GLY 48 N -1.26 1.06 3.26 0.44 0.00 -1.26 -4.93 105.19 102.50 1i4t n GLY 48 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1i4t n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4t s LYS 49 N -2.82 2.62 -0.35 1.61 1.02 -1.18 -5.11 119.74 115.53 1i4t s LYS 49 Ca 0.00 -0.90 -0.25 0.00 0.02 0.00 0.00 55.97 54.84 1i4t s LYS 49 Cb 0.00 -2.18 0.01 0.00 -0.52 0.00 0.00 37.83 35.14 1i4t s LYS 49 CO 0.00 0.35 0.86 -2.14 -0.92 0.00 0.00 175.35 173.50 1i4t s PRO 50 N -0.09 3.87 -0.10 -1.68 0.02 -1.26 -1.20 135.00 134.57 1i4t s PRO 50 Ca -0.06 0.54 0.04 0.00 0.02 0.00 0.00 61.00 61.54 1i4t s PRO 50 Cb -0.14 -3.78 -0.00 0.00 0.02 0.00 0.00 34.50 30.60 1i4t s PRO 50 CO 0.04 -0.84 -0.24 0.08 -0.33 0.00 0.00 177.00 175.71 1i4t s VAL 51 N 3.23 2.07 -0.53 3.83 1.01 -0.50 -2.79 120.40 126.71 1i4t s VAL 51 Ca 0.35 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 1i4t s VAL 51 Cb -0.13 -1.78 0.10 0.00 0.00 0.00 0.00 36.38 34.57 1i4t s VAL 51 CO 0.16 0.56 0.54 0.21 0.00 0.00 0.00 175.10 176.57 1i4t s ASN 52 N 0.30 6.18 -0.39 3.32 3.84 0.06 -1.60 114.94 126.65 1i4t s ASN 52 Ca -0.18 -1.47 -0.18 0.00 0.21 0.00 0.00 52.86 51.24 1i4t s ASN 52 Cb -0.18 -2.24 0.01 0.00 -0.55 0.00 0.00 41.25 38.30 1i4t s ASN 52 CO 0.09 -0.88 0.48 -0.22 -2.79 0.00 0.00 177.10 173.78 1i4t s LEU 53 N 2.02 4.59 -0.21 3.21 2.96 0.17 -2.09 118.68 129.33 1i4t s LEU 53 Ca 0.07 -0.37 -0.18 0.00 -0.22 0.00 0.00 54.13 53.44 1i4t s LEU 53 Cb -0.26 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 1i4t s LEU 53 CO 0.06 -0.55 0.48 -0.83 -1.32 0.00 0.00 176.35 174.19 1i4t s GLY 54 N 1.82 2.05 -0.22 7.98 0.00 0.38 -0.04 107.32 119.29 1i4t s GLY 54 Ca 0.16 -0.47 -0.03 0.00 0.00 0.00 0.00 44.72 44.38 1i4t s GLY 54 CO 0.14 1.01 -0.07 1.08 0.00 0.00 0.00 173.10 175.26 1i4t s LEU 55 N 1.61 2.80 -0.22 0.66 1.43 0.24 0.71 118.68 125.90 1i4t s LEU 55 Ca 0.22 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1i4t s LEU 55 Cb -0.15 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1i4t s LEU 55 CO 0.09 -0.03 0.09 0.26 0.23 0.00 0.00 176.35 176.99 1i4t s TRP 56 N 1.42 3.20 0.21 0.29 0.52 0.14 -1.52 118.94 123.20 1i4t s TRP 56 Ca 0.05 -0.05 -0.04 0.00 0.02 0.00 0.00 56.10 56.08 1i4t s TRP 56 Cb -0.14 -2.19 -0.05 0.00 -1.15 0.00 0.00 33.47 29.93 1i4t s TRP 56 CO -0.05 -0.05 0.45 0.34 0.02 0.00 0.00 176.95 177.66 1i4t s ASP 57 N 1.02 6.46 0.40 2.95 -1.08 -1.26 -1.04 116.67 124.11 1i4t s ASP 57 Ca 0.05 0.60 0.05 0.00 -0.52 0.00 0.00 52.55 52.73 1i4t s ASP 57 Cb -0.14 -2.10 -0.02 0.00 -1.46 0.00 0.00 42.92 39.20 1i4t s ASP 57 CO 0.03 -0.06 0.18 0.42 0.52 0.00 0.00 175.17 176.26 1i4t s THR 58 N -1.87 0.40 -0.08 1.71 -4.23 -1.23 -4.94 115.64 105.40 1i4t s THR 58 Ca 0.42 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1i4t s THR 58 Cb -0.11 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.36 1i4t s THR 58 CO 0.27 0.00 -0.12 0.00 -0.54 0.00 0.00 174.62 174.23 1i4t s ALA 59 N -3.25 2.74 -2.13 3.99 0.00 -1.26 -4.94 121.76 116.92 1i4t s ALA 59 Ca 0.27 -0.93 0.25 0.00 0.00 0.00 0.00 51.96 51.55 1i4t s ALA 59 Cb 0.02 -1.11 0.43 0.00 0.00 0.00 0.00 23.12 22.46 1i4t s ALA 59 CO 0.18 0.47 1.37 0.41 0.00 0.00 0.00 175.76 178.19 1i4t n GLY 60 N 2.62 -0.07 3.75 0.00 0.00 -1.26 -4.88 105.19 105.36 1i4t n GLY 60 Ca -0.18 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 1i4t n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i4t s LEU 61 N -2.36 4.38 0.20 0.99 1.43 -1.26 -3.62 118.68 118.44 1i4t s LEU 61 Ca 0.24 1.07 0.10 0.00 -1.03 0.00 0.00 54.13 54.51 1i4t s LEU 61 Cb 0.19 -2.86 0.69 0.00 0.03 0.00 0.00 46.19 44.24 1i4t s LEU 61 CO 0.49 0.07 0.86 -0.62 0.23 0.00 0.00 176.35 177.38 1i4t n GLU 62 N 2.98 -0.03 0.08 1.70 1.02 -1.26 -0.72 120.64 124.41 1i4t n GLU 62 Ca -0.07 0.76 0.20 0.00 -0.02 0.00 0.00 57.16 58.04 1i4t n GLU 62 Cb 0.51 -1.34 0.74 0.00 -0.02 0.00 0.00 31.44 31.33 1i4t n GLU 62 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1i4t h ASP 63 N 0.00 0.00 -0.71 1.62 3.32 -1.97 0.39 116.42 119.07 1i4t h ASP 63 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1i4t h ASP 63 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1i4t h ASP 63 CO -0.43 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 175.87 1i4t n TYR 64 N -3.74 1.23 -0.12 4.55 4.02 0.10 -4.48 117.16 118.72 1i4t n TYR 64 Ca 0.08 -0.55 0.01 0.00 -0.01 0.00 0.00 57.90 57.42 1i4t n TYR 64 Cb 0.63 -0.11 0.28 0.00 -0.02 0.00 0.00 39.34 40.12 1i4t n TYR 64 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1i4t h ASP 65 N 4.27 0.70 -0.34 7.72 3.32 -1.07 -2.84 116.42 128.17 1i4t h ASP 65 Ca 0.00 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 1i4t h ASP 65 Cb 1.21 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1i4t h ASP 65 CO 0.11 0.58 -0.07 0.03 -1.72 0.00 0.00 179.24 178.16 1i4t h ARG 66 N 0.79 0.66 -0.86 3.56 -0.00 -1.80 -3.28 114.38 113.46 1i4t h ARG 66 Ca 0.20 -0.25 -0.49 0.00 -0.50 0.00 0.00 59.98 58.95 1i4t h ARG 66 Cb 0.04 -0.04 -0.27 0.00 0.00 0.00 0.00 29.97 29.70 1i4t h ARG 66 CO -0.03 0.82 0.49 1.47 0.00 0.00 0.00 179.97 182.72 1i4t n LEU 67 N -4.43 6.34 -0.11 3.04 -0.00 -1.16 -4.47 117.00 116.20 1i4t n LEU 67 Ca -0.02 -3.84 -0.25 0.00 -0.00 0.00 0.00 56.01 51.91 1i4t n LEU 67 Cb 0.33 -0.81 -0.11 0.00 -0.00 0.00 0.00 43.42 42.83 1i4t n LEU 67 CO 0.41 1.23 -0.88 0.54 -0.00 0.00 0.00 177.39 178.69 1i4t n ARG 68 N -1.08 0.58 0.18 1.47 1.74 -1.08 -4.21 116.66 114.25 1i4t n ARG 68 Ca 0.55 0.45 0.09 0.00 -0.77 0.00 0.00 57.85 58.17 1i4t n ARG 68 Cb 1.31 -1.65 0.50 0.00 -1.02 0.00 0.00 32.46 31.60 1i4t n ARG 68 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1i4t h PRO 69 N -0.96 0.00 0.00 5.56 0.11 -1.78 -1.09 132.00 133.84 1i4t h PRO 69 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1i4t h PRO 69 Cb 1.45 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.55 1i4t h PRO 69 CO -0.28 0.00 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.38 1i4t h LEU 70 N 0.00 0.00 0.00 2.35 3.38 -1.85 -1.83 115.31 117.36 1i4t h LEU 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i4t h LEU 70 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1i4t h LEU 70 CO 0.00 0.05 -0.85 -1.54 0.09 0.00 0.00 178.44 176.20 1i4t n SER 71 N -3.26 0.65 -0.09 -0.43 3.41 -0.41 -4.41 113.62 109.07 1i4t n SER 71 Ca -0.01 -0.36 -0.13 0.00 -0.26 0.00 0.00 58.87 58.11 1i4t n SER 71 Cb 0.25 0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 64.80 1i4t n SER 71 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1i4t h TYR 72 N 0.00 0.85 -2.27 7.33 0.05 -1.43 -3.46 116.97 118.04 1i4t h TYR 72 Ca 0.00 -0.26 -0.61 0.00 0.05 0.00 0.00 58.73 57.91 1i4t h TYR 72 Cb 0.62 -0.18 0.12 0.00 1.01 0.00 0.00 36.73 38.30 1i4t h TYR 72 CO 0.00 1.00 -0.06 -0.35 -1.05 0.00 0.00 178.16 177.71 1i4t n PRO 73 N -4.26 1.02 -2.78 4.88 -0.04 -1.25 -2.37 135.00 130.19 1i4t n PRO 73 Ca -0.04 0.36 -0.16 0.00 -0.04 0.00 0.00 63.50 63.62 1i4t n PRO 73 Cb 0.47 -1.67 0.02 0.00 -0.04 0.00 0.00 33.50 32.28 1i4t n PRO 73 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1i4t n GLN 74 N 0.69 -3.47 -3.38 0.54 1.13 -1.26 -5.02 117.38 106.61 1i4t n GLN 74 Ca 0.11 0.67 -0.31 0.00 -1.94 0.00 0.00 57.00 55.54 1i4t n GLN 74 Cb 0.33 -5.03 -0.04 0.00 0.11 0.00 0.00 30.24 25.61 1i4t n GLN 74 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1i4t s THR 75 N -2.99 4.97 -0.31 5.09 2.01 -1.00 -4.71 115.64 118.70 1i4t s THR 75 Ca 0.21 0.31 0.06 0.00 0.31 0.00 0.00 61.69 62.58 1i4t s THR 75 Cb -0.09 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.69 1i4t s THR 75 CO 0.26 -0.16 0.28 0.47 -0.69 0.00 0.00 174.62 174.77 1i4t n ASP 76 N -0.43 0.33 -3.48 3.53 8.00 -0.01 -4.95 116.55 119.54 1i4t n ASP 76 Ca -0.00 -0.67 0.03 0.00 0.71 0.00 0.00 54.79 54.86 1i4t n ASP 76 Cb 0.53 0.97 -0.05 0.00 -0.02 0.00 0.00 41.12 42.54 1i4t n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1i4t s VAL 77 N -1.55 -0.02 0.03 2.53 0.11 -1.13 -4.56 120.40 115.81 1i4t s VAL 77 Ca 0.03 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1i4t s VAL 77 Cb 0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1i4t s VAL 77 CO 0.25 0.00 0.20 -0.36 -3.33 0.00 0.00 175.10 171.85 1i4t s PHE 78 N 1.38 3.53 -0.49 1.54 0.40 -0.56 -2.59 117.98 121.19 1i4t s PHE 78 Ca -0.05 0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.61 1i4t s PHE 78 Cb -0.02 -1.79 0.13 0.00 0.51 0.00 0.00 43.02 41.86 1i4t s PHE 78 CO -0.12 0.61 0.25 -0.51 0.70 0.00 0.00 175.22 176.16 1i4t s LEU 79 N -2.26 3.64 -0.11 -0.37 1.43 -0.54 -1.45 118.68 119.03 1i4t s LEU 79 Ca 0.32 -2.87 -0.30 0.00 -1.03 0.00 0.00 54.13 50.25 1i4t s LEU 79 Cb -0.13 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 1i4t s LEU 79 CO 0.24 -0.24 1.26 -0.63 0.23 0.00 0.00 176.35 177.20 1i4t s ILE 80 N -0.04 4.22 0.23 -0.59 1.01 -0.96 -1.99 121.20 123.07 1i4t s ILE 80 Ca 0.17 1.51 0.08 0.00 0.00 0.00 0.00 60.65 62.41 1i4t s ILE 80 Cb -0.25 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1i4t s ILE 80 CO -0.00 -0.08 0.06 0.00 0.00 0.00 0.00 174.94 174.93 1i4t s PHE 82 N -2.09 -0.55 -0.17 0.00 -0.71 -1.17 -3.96 117.98 109.33 1i4t s PHE 82 Ca 0.31 0.61 -0.13 0.00 -1.04 0.00 0.00 56.93 56.68 1i4t s PHE 82 Cb -0.08 0.50 -0.05 0.00 -1.21 0.00 0.00 43.02 42.18 1i4t s PHE 82 CO 0.21 -0.69 0.28 0.45 -1.34 0.00 0.00 175.22 174.12 1i4t s SER 83 N -2.06 6.39 0.19 1.98 0.15 -1.26 -0.59 113.70 118.50 1i4t s SER 83 Ca -0.03 0.46 0.19 0.00 0.70 0.00 0.00 55.95 57.26 1i4t s SER 83 Cb -0.01 -2.17 0.84 0.00 -1.71 0.00 0.00 66.02 62.97 1i4t s SER 83 CO -0.04 0.09 1.57 0.18 1.20 0.00 0.00 173.24 176.25 1i4t n LEU 84 N 3.67 0.43 -0.65 3.45 4.77 -0.92 -0.75 117.00 127.00 1i4t n LEU 84 Ca -0.12 0.63 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 1i4t n LEU 84 Cb 0.52 -0.61 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1i4t n LEU 84 CO 0.39 -0.57 0.42 0.52 -1.33 0.00 0.00 177.39 176.82 1i4t n VAL 85 N -2.00 0.00 -3.84 4.08 0.31 -1.26 -1.70 118.33 113.92 1i4t n VAL 85 Ca 0.01 -0.36 -0.30 0.00 -0.01 0.00 0.00 64.34 63.68 1i4t n VAL 85 Cb 0.15 1.34 -0.14 0.00 -0.91 0.00 0.00 33.84 34.28 1i4t n VAL 85 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1i4t s SER 86 N -2.19 4.03 0.27 4.52 0.15 0.07 -4.93 113.70 115.62 1i4t s SER 86 Ca 0.21 -2.77 -0.02 0.00 0.70 0.00 0.00 55.95 54.07 1i4t s SER 86 Cb 0.18 -1.35 0.41 0.00 -1.71 0.00 0.00 66.02 63.55 1i4t s SER 86 CO 0.44 -0.26 1.90 1.55 1.20 0.00 0.00 173.24 178.07 1i4t h PRO 87 N 6.69 1.15 -0.92 5.44 0.13 -1.83 -2.19 132.00 140.47 1i4t h PRO 87 Ca -0.05 -0.07 0.12 0.00 -0.87 0.00 0.00 66.00 65.13 1i4t h PRO 87 Cb 0.92 -0.26 -0.08 0.00 0.13 0.00 0.00 31.00 31.70 1i4t h PRO 87 CO 0.59 0.76 0.54 0.00 -0.23 0.00 0.00 178.00 179.66 1i4t h ALA 88 N 1.45 1.37 0.41 -0.56 0.00 -1.93 -2.84 119.26 117.15 1i4t h ALA 88 Ca 0.41 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1i4t h ALA 88 Cb 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i4t h ALA 88 CO -0.15 0.12 -0.20 0.77 0.00 0.00 0.00 179.25 179.79 1i4t h SER 89 N 0.86 -0.46 -0.59 0.00 0.02 -1.74 -3.23 113.55 108.41 1i4t h SER 89 Ca 0.46 0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.56 1i4t h SER 89 Cb 0.49 0.12 -0.11 0.00 0.14 0.00 0.00 62.40 63.03 1i4t h SER 89 CO -0.28 -0.29 -0.11 0.33 -1.14 0.00 0.00 176.83 175.34 1i4t n PHE 90 N -3.68 0.25 -0.37 3.45 7.35 -1.10 0.18 117.46 123.54 1i4t n PHE 90 Ca -0.07 0.72 0.01 0.00 -0.76 0.00 0.00 57.45 57.35 1i4t n PHE 90 Cb 0.22 -0.87 0.15 0.00 0.35 0.00 0.00 39.48 39.33 1i4t n PHE 90 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1i4t h GLU 91 N 0.00 1.20 0.00 -4.13 4.57 -1.53 -0.68 114.58 114.01 1i4t h GLU 91 Ca 0.30 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1i4t h GLU 91 Cb 0.50 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1i4t h GLU 91 CO -0.60 0.80 0.00 0.09 -1.18 0.00 0.00 179.01 178.12 1i4t n ASN 92 N -4.46 0.26 -0.21 1.04 3.02 0.48 -2.17 115.26 113.22 1i4t n ASN 92 Ca 0.14 0.59 0.04 0.00 -0.03 0.00 0.00 54.58 55.32 1i4t n ASN 92 Cb 0.12 -0.64 0.29 0.00 -0.61 0.00 0.00 39.78 38.95 1i4t n ASN 92 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1i4t h VAL 93 N 0.00 1.09 0.01 2.41 2.07 -1.01 0.22 116.25 121.04 1i4t h VAL 93 Ca 0.00 -0.31 -0.37 0.00 0.82 0.00 0.00 66.70 66.84 1i4t h VAL 93 Cb 0.16 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 29.98 1i4t h VAL 93 CO 0.00 0.16 -2.31 -2.11 0.02 0.00 0.00 177.57 173.33 1i4t n ARG 94 N -4.46 0.68 -0.06 1.57 1.85 -0.97 -1.34 116.66 113.92 1i4t n ARG 94 Ca 0.10 0.11 -0.10 0.00 -1.00 0.00 0.00 57.85 56.96 1i4t n ARG 94 Cb 0.15 -1.57 -0.03 0.00 -1.05 0.00 0.00 32.46 29.96 1i4t n ARG 94 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1i4t h ALA 95 N 0.55 0.30 0.00 2.89 0.00 -1.17 -3.39 119.26 118.44 1i4t h ALA 95 Ca -0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1i4t h ALA 95 Cb 2.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 1i4t h ALA 95 CO -0.00 -0.16 -0.51 1.17 0.00 0.00 0.00 179.25 179.74 1i4t n LYS 96 N -4.86 0.07 0.49 0.00 4.81 0.75 -4.81 118.16 114.61 1i4t n LYS 96 Ca -0.03 0.03 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 1i4t n LYS 96 Cb 0.08 -0.62 -0.10 0.00 0.02 0.00 0.00 35.03 34.42 1i4t n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1i4t h TRP 97 N -0.12 -1.15 -0.60 5.64 -0.00 -1.61 -2.59 115.95 115.52 1i4t h TRP 97 Ca -0.03 -0.03 0.12 0.00 -0.00 0.00 0.00 58.89 58.95 1i4t h TRP 97 Cb 0.47 0.38 -0.12 0.00 -0.00 0.00 0.00 29.16 29.89 1i4t h TRP 97 CO -0.04 -0.71 -0.19 -0.92 -0.00 0.00 0.00 178.44 176.58 1i4t h TYR 98 N -1.25 -0.43 -0.64 0.49 3.20 -1.44 -1.04 116.97 115.87 1i4t h TYR 98 Ca -0.13 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 1i4t h TYR 98 Cb 0.95 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 1i4t h TYR 98 CO -0.01 -0.29 0.29 -1.35 -1.64 0.00 0.00 178.16 175.16 1i4t h PRO 99 N -0.04 0.93 0.73 1.82 0.11 -1.75 -2.89 132.00 130.91 1i4t h PRO 99 Ca 0.28 -0.15 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 1i4t h PRO 99 Cb 0.47 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.43 1i4t h PRO 99 CO -0.64 0.75 -0.35 1.49 -0.21 0.00 0.00 178.00 179.05 1i4t h GLU 100 N 0.88 -0.94 -0.96 1.05 4.81 -0.89 0.15 114.58 118.68 1i4t h GLU 100 Ca 0.22 0.06 0.26 0.00 -0.13 0.00 0.00 59.36 59.77 1i4t h GLU 100 Cb 0.15 0.21 -0.13 0.00 0.63 0.00 0.00 28.75 29.61 1i4t h GLU 100 CO -0.02 -0.61 0.48 0.28 -0.73 0.00 0.00 179.01 178.41 1i4t h VAL 101 N -1.19 0.43 -0.05 0.32 2.07 -1.30 0.15 116.25 116.67 1i4t h VAL 101 Ca -0.10 -0.14 -0.21 0.00 0.82 0.00 0.00 66.70 67.07 1i4t h VAL 101 Cb 0.77 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1i4t h VAL 101 CO 0.16 0.08 -0.83 0.03 0.02 0.00 0.00 177.57 177.03 1i4t h ARG 102 N 0.41 0.46 -0.57 1.57 2.47 -1.41 0.72 114.38 118.03 1i4t h ARG 102 Ca 0.63 -0.42 0.16 0.00 -1.26 0.00 0.00 59.98 59.09 1i4t h ARG 102 Cb 1.28 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.68 1i4t h ARG 102 CO -0.55 1.07 0.44 1.25 0.56 0.00 0.00 179.97 182.74 1i4t h HIS 103 N 0.29 0.00 0.00 3.04 2.76 0.22 -2.53 115.15 118.93 1i4t h HIS 103 Ca -0.06 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.76 1i4t h HIS 103 Cb 1.44 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.34 1i4t h HIS 103 CO 0.06 0.00 -2.24 0.72 -1.30 0.00 0.00 177.93 175.16 1i4t n HIS 104 N -4.17 0.00 -3.56 5.26 8.25 -0.98 -4.83 115.22 115.18 1i4t n HIS 104 Ca 0.11 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.30 1i4t n HIS 104 Cb 0.67 -0.81 -0.09 0.00 1.12 0.00 0.00 29.99 30.88 1i4t n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i4t n PRO 106 N 1.49 3.13 0.00 0.00 -0.04 -0.96 -2.91 135.00 135.71 1i4t n PRO 106 Ca 0.25 -3.06 0.00 0.00 -0.04 0.00 0.00 63.50 60.65 1i4t n PRO 106 Cb 0.41 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.61 1i4t n PRO 106 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1i4t n ASN 107 N 6.28 0.00 -4.80 3.54 5.03 -1.26 -5.13 115.26 118.92 1i4t n ASN 107 Ca 0.48 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.57 1i4t n ASN 107 Cb 0.41 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.10 1i4t n ASN 107 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1i4t s THR 108 N 0.00 5.30 0.14 3.41 2.01 -1.15 -5.07 115.64 120.28 1i4t s THR 108 Ca 0.00 0.14 -0.31 0.00 0.31 0.00 0.00 61.69 61.82 1i4t s THR 108 Cb 0.00 -3.34 -0.10 0.00 0.01 0.00 0.00 72.50 69.08 1i4t s THR 108 CO 0.00 0.56 1.59 -2.16 -0.69 0.00 0.00 174.62 173.92 1i4t s PRO 109 N -0.53 4.21 0.08 4.92 0.04 -1.26 -4.86 135.00 137.60 1i4t s PRO 109 Ca 0.12 2.35 0.07 0.00 0.04 0.00 0.00 61.00 63.57 1i4t s PRO 109 Cb -0.12 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1i4t s PRO 109 CO 0.02 -0.64 -0.12 0.42 0.04 0.00 0.00 177.00 176.72 1i4t s ILE 110 N 1.56 3.24 -0.04 0.56 1.01 -1.26 -1.49 121.20 124.79 1i4t s ILE 110 Ca 0.71 -1.20 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1i4t s ILE 110 Cb -0.42 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.60 1i4t s ILE 110 CO 0.31 0.20 -0.03 -0.51 0.00 0.00 0.00 174.94 174.92 1i4t s ILE 111 N -1.11 0.39 0.07 2.92 2.07 -0.53 -0.35 121.20 124.67 1i4t s ILE 111 Ca 0.19 -0.04 -0.17 0.00 -1.41 0.00 0.00 60.65 59.22 1i4t s ILE 111 Cb -0.11 -0.44 -0.06 0.00 0.13 0.00 0.00 42.46 41.98 1i4t s ILE 111 CO 0.11 0.19 0.52 -0.22 -1.91 0.00 0.00 174.94 173.63 1i4t s LEU 112 N 0.94 4.46 0.00 8.50 2.96 -0.80 -2.28 118.68 132.46 1i4t s LEU 112 Ca -0.11 1.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.96 1i4t s LEU 112 Cb -0.14 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 1i4t s LEU 112 CO -0.01 0.24 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.48 1i4t s VAL 113 N -1.20 0.76 -0.69 1.68 1.01 -0.91 -1.97 120.40 119.07 1i4t s VAL 113 Ca 0.30 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 1i4t s VAL 113 Cb -0.18 -0.66 0.18 0.00 0.00 0.00 0.00 36.38 35.73 1i4t s VAL 113 CO 0.18 0.12 0.61 -0.83 0.00 0.00 0.00 175.10 175.18 1i4t s GLY 114 N -0.46 2.44 0.15 4.51 0.00 -0.21 -3.04 107.32 110.71 1i4t s GLY 114 Ca 0.02 -3.04 -0.30 0.00 0.00 0.00 0.00 44.72 41.40 1i4t s GLY 114 CO -0.00 1.21 1.06 -0.51 0.00 0.00 0.00 173.10 174.85 1i4t s THR 115 N 0.60 4.09 -0.04 0.90 -4.23 0.24 -1.90 115.64 115.30 1i4t s THR 115 Ca 0.13 1.76 -0.00 0.00 -1.18 0.00 0.00 61.69 62.40 1i4t s THR 115 Cb -0.18 -4.12 -0.00 0.00 1.34 0.00 0.00 72.50 69.54 1i4t s THR 115 CO -0.04 0.28 0.04 0.29 -0.54 0.00 0.00 174.62 174.64 1i4t n LYS 116 N 2.61 -0.07 0.00 3.99 5.02 -0.91 -2.16 118.16 126.64 1i4t n LYS 116 Ca 0.03 0.41 0.14 0.00 -2.02 0.00 0.00 58.31 56.87 1i4t n LYS 116 Cb 0.47 -1.70 0.54 0.00 -0.02 0.00 0.00 35.03 34.33 1i4t n LYS 116 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1i4t n LEU 117 N -1.18 0.68 -0.09 -0.35 7.94 -1.13 -4.08 117.00 118.79 1i4t n LEU 117 Ca -0.00 -0.10 -0.15 0.00 -1.11 0.00 0.00 56.01 54.65 1i4t n LEU 117 Cb 0.50 -0.15 -0.09 0.00 0.53 0.00 0.00 43.42 44.21 1i4t n LEU 117 CO 0.03 0.12 -0.25 -2.24 -1.11 0.00 0.00 177.39 173.94 1i4t h ASP 118 N 0.83 0.00 0.00 1.96 -0.00 -1.93 -3.37 116.42 113.91 1i4t h ASP 118 Ca 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 57.03 56.54 1i4t h ASP 118 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.73 1i4t h ASP 118 CO 0.00 1.18 0.00 0.18 -0.00 0.00 0.00 179.24 180.60 1i4t n LEU 119 N -4.53 2.74 -0.02 0.15 4.32 -1.26 -2.40 117.00 115.99 1i4t n LEU 119 Ca -0.20 -1.24 -0.00 0.00 -0.02 0.00 0.00 56.01 54.54 1i4t n LEU 119 Cb 0.51 -0.57 -0.05 0.00 -1.62 0.00 0.00 43.42 41.69 1i4t n LEU 119 CO 0.19 0.51 -0.66 -1.14 -1.22 0.00 0.00 177.39 175.07 1i4t n ARG 120 N 1.62 1.75 -2.38 3.23 0.63 -1.26 -4.62 116.66 115.63 1i4t n ARG 120 Ca 0.00 -0.03 -0.15 0.00 -0.92 0.00 0.00 57.85 56.75 1i4t n ARG 120 Cb 0.27 -1.17 0.03 0.00 0.45 0.00 0.00 32.46 32.04 1i4t n ARG 120 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1i4t n ASP 121 N -2.03 3.51 -4.45 6.15 8.00 -1.01 -4.97 116.55 121.75 1i4t n ASP 121 Ca -0.07 -3.05 -0.30 0.00 0.71 0.00 0.00 54.79 52.08 1i4t n ASP 121 Cb 0.49 -0.41 -0.13 0.00 -0.02 0.00 0.00 41.12 41.06 1i4t n ASP 121 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1i4t s ASP 122 N -3.66 3.71 -0.97 -2.24 1.47 -1.26 -5.08 116.67 108.65 1i4t s ASP 122 Ca 0.41 -0.51 -0.24 0.00 1.18 0.00 0.00 52.55 53.39 1i4t s ASP 122 Cb 0.38 -0.52 0.04 0.00 -0.34 0.00 0.00 42.92 42.47 1i4t s ASP 122 CO -0.00 0.23 1.50 -1.59 0.68 0.00 0.00 175.17 175.98 1i4t s LYS 123 N -1.67 3.42 0.00 2.11 0.00 -1.26 -2.88 119.74 119.46 1i4t s LYS 123 Ca 0.15 -0.92 0.00 0.00 0.00 0.00 0.00 55.97 55.20 1i4t s LYS 123 Cb -0.10 -5.20 0.00 0.00 0.00 0.00 0.00 37.83 32.52 1i4t s LYS 123 CO 0.06 -2.35 0.00 -3.47 0.00 0.00 0.00 175.35 169.60 1i4t n ASP 124 N 9.58 0.00 0.27 0.03 2.03 -1.26 -4.87 116.55 122.33 1i4t n ASP 124 Ca 0.31 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.80 1i4t n ASP 124 Cb 0.50 0.00 0.81 0.00 -0.72 0.00 0.00 41.12 41.71 1i4t n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i4t h THR 125 N 0.00 0.00 0.00 5.18 1.03 -1.93 0.27 112.91 117.46 1i4t h THR 125 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 1i4t h THR 125 Cb 0.00 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.28 1i4t h THR 125 CO 0.00 0.00 0.00 -0.29 -0.01 0.00 0.00 175.52 175.22 1i4t h ILE 126 N 0.00 0.00 0.00 0.00 6.09 -1.86 -0.55 117.51 121.19 1i4t h ILE 126 Ca 0.00 -0.54 -0.31 0.00 -1.37 0.00 0.00 64.86 62.64 1i4t h ILE 126 Cb 0.30 1.47 -0.05 0.00 0.47 0.00 0.00 36.82 39.01 1i4t h ILE 126 CO 0.00 0.00 -2.12 1.21 -3.07 0.00 0.00 178.15 174.17 1i4t n GLU 127 N -2.60 0.47 0.18 2.19 4.07 0.67 -4.10 120.64 121.52 1i4t n GLU 127 Ca 0.03 0.14 0.05 0.00 -0.06 0.00 0.00 57.16 57.32 1i4t n GLU 127 Cb 0.38 -1.34 0.32 0.00 -0.06 0.00 0.00 31.44 30.74 1i4t n GLU 127 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1i4t h LYS 128 N -0.25 0.00 0.00 5.31 1.57 -0.82 0.25 116.57 122.63 1i4t h LYS 128 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1i4t h LYS 128 Cb 1.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.91 1i4t h LYS 128 CO -0.15 0.41 0.00 -0.11 -0.57 0.00 0.00 179.45 179.02 1i4t n LEU 129 N -3.58 0.14 -0.28 2.94 0.00 -0.22 -1.41 117.00 114.59 1i4t n LEU 129 Ca -0.00 0.52 0.09 0.00 0.00 0.00 0.00 56.01 56.61 1i4t n LEU 129 Cb 0.52 -0.47 -0.03 0.00 0.00 0.00 0.00 43.42 43.43 1i4t n LEU 129 CO 0.37 -0.08 0.17 0.29 0.00 0.00 0.00 177.39 178.15 1i4t n LYS 130 N -1.64 1.47 0.09 1.96 5.02 -0.19 -1.55 118.16 123.32 1i4t n LYS 130 Ca 0.06 -0.59 0.12 0.00 -2.02 0.00 0.00 58.31 55.88 1i4t n LYS 130 Cb 0.33 -1.33 0.11 0.00 -0.02 0.00 0.00 35.03 34.12 1i4t n LYS 130 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1i4t h GLU 131 N 1.37 0.00 -0.14 1.97 4.81 0.62 -3.28 114.58 119.93 1i4t h GLU 131 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1i4t h GLU 131 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1i4t h GLU 131 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 1i4t n LYS 132 N -2.37 1.81 -1.82 1.92 5.02 -1.07 -4.95 118.16 116.71 1i4t n LYS 132 Ca 0.02 -1.77 -0.05 0.00 -2.02 0.00 0.00 58.31 54.50 1i4t n LYS 132 Cb 0.48 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 34.12 1i4t n LYS 132 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1i4t n LYS 133 N 1.06 -0.36 -4.56 1.97 0.00 -1.24 -5.04 118.16 110.00 1i4t n LYS 133 Ca 0.13 0.35 -0.32 0.00 0.00 0.00 0.00 58.31 58.47 1i4t n LYS 133 Cb 0.48 -4.09 -0.06 0.00 0.00 0.00 0.00 35.03 31.35 1i4t n LYS 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1i4t s LEU 134 N -1.26 2.38 0.05 3.14 1.43 -0.60 -5.03 118.68 118.80 1i4t s LEU 134 Ca 0.00 -1.56 -0.21 0.00 -1.03 0.00 0.00 54.13 51.33 1i4t s LEU 134 Cb 0.00 -0.84 0.05 0.00 0.03 0.00 0.00 46.19 45.43 1i4t s LEU 134 CO 0.00 -0.92 0.49 0.28 0.23 0.00 0.00 176.35 176.43 1i4t s THR 135 N -2.86 0.04 1.17 5.49 -1.32 -1.25 -4.03 115.64 112.88 1i4t s THR 135 Ca 0.12 -0.31 -0.17 0.00 -1.21 0.00 0.00 61.69 60.11 1i4t s THR 135 Cb 0.01 -0.98 0.22 0.00 -1.51 0.00 0.00 72.50 70.24 1i4t s THR 135 CO 0.07 -0.17 0.44 -2.65 -2.21 0.00 0.00 174.62 170.10 1i4t n PRO 136 N 0.38 -2.81 -3.55 7.08 -0.02 -1.26 -4.66 135.00 130.16 1i4t n PRO 136 Ca -0.18 -0.82 -0.40 0.00 -2.02 0.00 0.00 63.50 60.07 1i4t n PRO 136 Cb 0.60 -1.70 -0.11 0.00 -0.02 0.00 0.00 33.50 32.28 1i4t n PRO 136 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i4t s ILE 137 N -2.15 5.11 0.76 4.25 -1.09 -0.69 -4.99 121.20 122.40 1i4t s ILE 137 Ca 0.51 -0.35 -0.11 0.00 -2.23 0.00 0.00 60.65 58.47 1i4t s ILE 137 Cb -0.11 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.16 1i4t s ILE 137 CO 0.50 -0.04 1.09 0.42 -1.23 0.00 0.00 174.94 175.67 1i4t s THR 138 N 1.69 3.34 0.15 2.92 -4.23 -1.26 -4.95 115.64 113.30 1i4t s THR 138 Ca 0.05 0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 60.74 1i4t s THR 138 Cb -0.18 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.43 1i4t s THR 138 CO 0.09 -0.57 1.59 0.22 -0.54 0.00 0.00 174.62 175.41 1i4t h TYR 139 N -0.92 -1.06 -4.08 3.99 5.03 -1.99 -3.39 116.97 114.55 1i4t h TYR 139 Ca -0.46 0.06 -0.55 0.00 2.58 0.00 0.00 58.73 60.36 1i4t h TYR 139 Cb 1.25 0.51 0.13 0.00 1.55 0.00 0.00 36.73 40.18 1i4t h TYR 139 CO 0.50 -0.42 0.54 -2.14 -1.32 0.00 0.00 178.16 175.32 1i4t s PRO 140 N -5.93 2.92 -0.35 1.82 0.02 -1.26 -1.18 135.00 131.03 1i4t s PRO 140 Ca -0.15 2.06 -0.10 0.00 0.02 0.00 0.00 61.00 62.83 1i4t s PRO 140 Cb 0.12 -2.04 0.01 0.00 0.02 0.00 0.00 34.50 32.61 1i4t s PRO 140 CO 0.66 -1.30 0.37 1.04 -0.33 0.00 0.00 177.00 177.43 1i4t n GLN 141 N -1.44 -2.48 0.00 5.54 1.13 -1.26 -4.51 117.38 114.36 1i4t n GLN 141 Ca 0.13 2.16 0.00 0.00 -1.94 0.00 0.00 57.00 57.35 1i4t n GLN 141 Cb 0.47 -5.17 0.00 0.00 0.11 0.00 0.00 30.24 25.65 1i4t n GLN 141 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i4t n GLY 142 N -0.01 3.18 0.10 1.08 0.00 -1.23 -4.51 105.19 103.80 1i4t n GLY 142 Ca 0.07 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1i4t n GLY 142 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i4t n LEU 143 N 0.00 1.08 0.01 0.99 7.94 -0.33 -3.37 117.00 123.32 1i4t n LEU 143 Ca 0.00 0.14 -0.06 0.00 -1.11 0.00 0.00 56.01 54.99 1i4t n LEU 143 Cb 0.00 -0.03 -0.11 0.00 0.53 0.00 0.00 43.42 43.81 1i4t n LEU 143 CO 0.00 0.57 -0.33 0.00 -1.11 0.00 0.00 177.39 176.53 1i4t h ALA 144 N 0.73 0.68 -0.30 1.96 0.00 -1.84 -3.13 119.26 117.36 1i4t h ALA 144 Ca -0.45 -1.18 -0.03 0.00 0.00 0.00 0.00 54.91 53.25 1i4t h ALA 144 Cb 2.09 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 20.19 1i4t h ALA 144 CO 0.04 1.32 0.09 1.98 0.00 0.00 0.00 179.25 182.68 1i4t h MET 145 N 0.00 0.47 -0.29 0.00 1.85 -1.86 1.38 114.93 116.49 1i4t h MET 145 Ca -0.20 -0.11 0.03 0.00 -0.61 0.00 0.00 59.70 58.81 1i4t h MET 145 Cb 1.84 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 33.77 1i4t h MET 145 CO 0.08 0.53 0.09 0.00 -0.40 0.00 0.00 176.91 177.21 1i4t h ALA 146 N 0.92 0.32 -0.48 0.39 0.00 -1.66 -1.35 119.26 117.40 1i4t h ALA 146 Ca 0.10 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1i4t h ALA 146 Cb 0.26 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1i4t h ALA 146 CO -0.00 -0.31 -0.13 0.87 0.00 0.00 0.00 179.25 179.68 1i4t h LYS 147 N 0.22 0.90 0.00 0.00 1.57 -1.41 0.54 116.57 118.39 1i4t h LYS 147 Ca 0.13 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1i4t h LYS 147 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1i4t h LYS 147 CO -0.14 0.97 0.00 1.49 -0.57 0.00 0.00 179.45 181.20 1i4t h GLU 148 N 0.80 0.00 0.00 3.15 4.81 0.25 -3.29 114.58 120.31 1i4t h GLU 148 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1i4t h GLU 148 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1i4t h GLU 148 CO 0.05 0.00 0.00 -0.89 -0.73 0.00 0.00 179.01 177.44 1i4t n ILE 149 N -2.58 0.00 0.00 2.32 2.08 -0.55 -5.04 119.36 115.58 1i4t n ILE 149 Ca -0.02 0.38 0.00 0.00 0.56 0.00 0.00 62.75 63.68 1i4t n ILE 149 Cb 0.08 -1.37 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 1i4t n ILE 149 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1i4t n GLY 150 N 1.88 -0.67 3.58 7.39 0.00 0.18 -5.10 105.19 112.45 1i4t n GLY 150 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.45 1i4t n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4t n ALA 151 N 0.00 -2.02 0.43 4.61 0.00 -0.57 -4.80 120.51 118.16 1i4t n ALA 151 Ca 0.00 0.54 0.06 0.00 0.00 0.00 0.00 53.44 54.04 1i4t n ALA 151 Cb 0.00 -1.95 0.27 0.00 0.00 0.00 0.00 19.45 17.77 1i4t n ALA 151 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1i4t n VAL 152 N 2.43 1.13 -3.56 0.00 0.24 0.53 -4.79 118.33 114.32 1i4t n VAL 152 Ca 0.21 0.28 -0.07 0.00 -2.04 0.00 0.00 64.34 62.73 1i4t n VAL 152 Cb 0.12 -1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 31.40 1i4t n VAL 152 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1i4t s LYS 153 N -2.99 0.54 -0.05 7.34 2.47 -1.26 -5.06 119.74 120.74 1i4t s LYS 153 Ca 0.06 -0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.30 1i4t s LYS 153 Cb 0.08 0.25 0.02 0.00 -1.46 0.00 0.00 37.83 36.73 1i4t s LYS 153 CO 0.22 -0.23 -0.03 -0.47 0.16 0.00 0.00 175.35 175.01 1i4t s TYR 154 N -2.59 0.69 0.15 4.03 5.04 -1.26 -1.91 117.35 121.50 1i4t s TYR 154 Ca 0.07 -0.18 -0.02 0.00 -2.44 0.00 0.00 57.07 54.50 1i4t s TYR 154 Cb -0.01 -0.68 -0.04 0.00 0.35 0.00 0.00 41.96 41.59 1i4t s TYR 154 CO -0.06 -0.22 0.10 -0.51 -1.34 0.00 0.00 175.55 173.52 1i4t s LEU 155 N 1.20 1.55 0.01 6.97 1.43 -0.83 -5.01 118.68 124.00 1i4t s LEU 155 Ca -0.07 -1.20 0.01 0.00 -1.03 0.00 0.00 54.13 51.84 1i4t s LEU 155 Cb -0.14 0.43 -0.01 0.00 0.03 0.00 0.00 46.19 46.50 1i4t s LEU 155 CO -0.02 -0.77 -0.04 -1.61 0.23 0.00 0.00 176.35 174.14 1i4t s GLU 156 N -4.06 0.33 0.25 1.70 2.02 -1.26 -1.04 118.70 116.64 1i4t s GLU 156 Ca 0.26 -0.30 -0.22 0.00 0.02 0.00 0.00 54.97 54.73 1i4t s GLU 156 Cb 0.07 -0.23 0.03 0.00 0.10 0.00 0.00 34.13 34.10 1i4t s GLU 156 CO 0.04 0.06 0.71 0.00 0.02 0.00 0.00 175.26 176.08 1i4t s SER 158 N -2.89 2.20 0.06 0.00 0.15 -1.05 -2.15 113.70 110.01 1i4t s SER 158 Ca 0.09 -0.35 0.23 0.00 0.70 0.00 0.00 55.95 56.62 1i4t s SER 158 Cb -0.05 -0.93 0.92 0.00 -1.71 0.00 0.00 66.02 64.25 1i4t s SER 158 CO 0.03 -0.05 1.71 0.00 1.20 0.00 0.00 173.24 176.14 1i4t n ALA 159 N 4.51 1.99 0.06 5.45 0.00 -1.26 0.14 120.51 131.40 1i4t n ALA 159 Ca -0.17 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.01 1i4t n ALA 159 Cb 0.51 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 1i4t n ALA 159 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i4t h LEU 160 N 0.00 0.54 -0.35 0.00 5.85 -1.94 -3.37 115.31 116.05 1i4t h LEU 160 Ca 0.00 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.88 1i4t h LEU 160 Cb 0.42 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1i4t h LEU 160 CO 0.00 1.72 -0.63 0.35 -0.34 0.00 0.00 178.44 179.54 1i4t n THR 161 N -3.54 0.00 0.00 1.05 -2.24 -1.11 -4.96 114.28 103.48 1i4t n THR 161 Ca -0.24 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1i4t n THR 161 Cb 1.07 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 70.38 1i4t n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i4t n GLN 162 N -0.90 0.00 -1.66 -0.78 6.02 0.37 -4.90 117.38 115.53 1i4t n GLN 162 Ca 0.05 0.00 -0.55 0.00 -0.01 0.00 0.00 57.00 56.49 1i4t n GLN 162 Cb 0.30 -2.51 -0.07 0.00 1.02 0.00 0.00 30.24 28.98 1i4t n GLN 162 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1i4t n ARG 163 N -1.31 1.28 -0.97 -1.09 0.63 -1.24 0.34 116.66 114.30 1i4t n ARG 163 Ca 0.00 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 1i4t n ARG 163 Cb 0.00 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 30.68 1i4t n ARG 163 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1i4t n GLY 164 N 4.69 0.69 0.13 5.14 0.00 -1.26 -2.53 105.19 112.04 1i4t n GLY 164 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 1i4t n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i4t h LEU 165 N 0.00 -0.18 -1.19 0.99 5.85 -0.40 -3.26 115.31 117.13 1i4t h LEU 165 Ca 0.00 -0.13 0.17 0.00 0.84 0.00 0.00 57.88 58.76 1i4t h LEU 165 Cb 0.00 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1i4t h LEU 165 CO 0.00 0.35 0.60 0.50 -0.34 0.00 0.00 178.44 179.55 1i4t h LYS 166 N -1.03 0.70 -0.66 1.25 3.64 -1.92 -1.24 116.57 117.31 1i4t h LYS 166 Ca -0.02 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1i4t h LYS 166 Cb 0.29 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1i4t h LYS 166 CO 0.03 0.46 0.23 1.15 -2.27 0.00 0.00 179.45 179.06 1i4t h THR 167 N 0.72 1.24 -0.60 1.00 2.02 -1.93 -2.49 112.91 112.87 1i4t h THR 167 Ca 0.50 -0.79 0.12 0.00 0.77 0.00 0.00 66.41 67.02 1i4t h THR 167 Cb 0.82 0.48 -0.10 0.00 -1.74 0.00 0.00 68.15 67.61 1i4t h THR 167 CO -0.27 0.31 0.02 0.58 0.37 0.00 0.00 175.52 176.53 1i4t h VAL 168 N 0.97 0.52 0.00 3.16 2.07 -1.26 -0.92 116.25 120.79 1i4t h VAL 168 Ca 0.22 -0.05 -0.18 0.00 0.82 0.00 0.00 66.70 67.52 1i4t h VAL 168 Cb 0.24 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1i4t h VAL 168 CO -0.01 0.02 -0.96 -0.26 0.02 0.00 0.00 177.57 176.38 1i4t h PHE 169 N 0.14 0.00 -0.13 1.57 -1.00 -1.59 -2.79 116.94 113.14 1i4t h PHE 169 Ca 0.32 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 61.02 1i4t h PHE 169 Cb 0.51 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 1i4t h PHE 169 CO -0.34 0.76 -0.28 -0.44 -1.61 0.00 0.00 178.31 176.40 1i4t h ASP 170 N 0.00 0.24 -0.05 2.17 3.32 -0.97 -2.60 116.42 118.52 1i4t h ASP 170 Ca -0.06 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.74 1i4t h ASP 170 Cb 1.64 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 41.13 1i4t h ASP 170 CO 0.09 0.53 -0.64 -0.33 -1.72 0.00 0.00 179.24 177.17 1i4t h GLU 171 N 0.22 0.53 -0.76 3.56 4.39 -1.21 -2.91 114.58 118.40 1i4t h GLU 171 Ca 0.03 -0.50 0.13 0.00 0.34 0.00 0.00 59.36 59.36 1i4t h GLU 171 Cb 0.62 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.34 1i4t h GLU 171 CO 0.04 1.13 0.50 0.00 -1.16 0.00 0.00 179.01 179.52 1i4t h ALA 172 N 0.41 1.98 -0.12 3.43 0.00 -1.25 0.33 119.26 124.04 1i4t h ALA 172 Ca -0.06 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1i4t h ALA 172 Cb 1.31 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1i4t h ALA 172 CO 0.13 -0.17 -0.59 0.82 0.00 0.00 0.00 179.25 179.44 1i4t h ILE 173 N 0.52 1.34 -0.29 0.00 2.04 -1.49 -2.79 117.51 116.84 1i4t h ILE 173 Ca 0.36 -1.88 -0.11 0.00 1.00 0.00 0.00 64.86 64.24 1i4t h ILE 173 Cb 0.69 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1i4t h ILE 173 CO -0.13 0.57 -0.29 0.03 0.00 0.00 0.00 178.15 178.33 1i4t h ARG 174 N 0.25 0.60 0.00 2.37 3.08 -1.06 -1.23 114.38 118.38 1i4t h ARG 174 Ca -0.04 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 1i4t h ARG 174 Cb 1.23 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 1i4t h ARG 174 CO 0.12 0.82 -0.01 0.00 -1.07 0.00 0.00 179.97 179.84 1i4t h ALA 175 N 1.17 1.03 -1.75 0.04 0.00 -0.37 0.49 119.26 119.86 1i4t h ALA 175 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1i4t h ALA 175 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1i4t h ALA 175 CO 0.06 0.01 0.00 0.28 0.00 0.00 0.00 179.25 179.60 1i4t n VAL 176 N -3.14 0.00 0.87 0.00 0.31 -0.55 -4.21 118.33 111.60 1i4t n VAL 176 Ca -0.01 0.21 0.04 0.00 -0.01 0.00 0.00 64.34 64.57 1i4t n VAL 176 Cb 0.18 -0.77 0.26 0.00 -0.91 0.00 0.00 33.84 32.60 1i4t n VAL 176 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1i4t n LEU 177 N -1.32 0.00 0.00 7.52 7.99 -0.68 -5.11 117.00 125.40 1i4t n LEU 177 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1i4t n LEU 177 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1i4t n LEU 177 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.88