#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lce s ILE 22 N 0.00 1.60 0.06 0.44 2.07 -1.26 -1.03 121.20 123.09 3lce s ILE 22 Ca 0.00 -0.82 0.06 0.00 -1.41 0.00 0.00 60.65 58.48 3lce s ILE 22 Cb 0.00 -1.37 -0.03 0.00 0.13 0.00 0.00 42.46 41.20 3lce s ILE 22 CO 0.00 0.46 -0.15 0.42 -1.91 0.00 0.00 174.94 173.75 3lce s THR 23 N -0.06 1.21 0.14 4.00 -4.23 -0.86 -5.01 115.64 110.84 3lce s THR 23 Ca -0.03 -1.23 -0.14 0.00 -1.18 0.00 0.00 61.69 59.11 3lce s THR 23 Cb -0.12 -1.13 -0.07 0.00 1.34 0.00 0.00 72.50 72.52 3lce s THR 23 CO 0.02 -0.11 0.53 -0.70 -0.54 0.00 0.00 174.62 173.83 3lce s GLU 24 N -1.54 3.95 -0.33 3.99 2.12 -1.26 -1.55 118.70 124.08 3lce s GLU 24 Ca 0.01 0.45 -0.00 0.00 0.36 0.00 0.00 54.97 55.78 3lce s GLU 24 Cb -0.09 -2.93 0.11 0.00 0.26 0.00 0.00 34.13 31.47 3lce s GLU 24 CO 0.02 0.48 0.12 1.21 -0.54 0.00 0.00 175.26 176.56 3lce s ASN 25 N -1.74 3.94 0.00 -1.70 3.84 0.13 -4.84 114.94 114.57 3lce s ASN 25 Ca 0.37 -1.82 0.28 0.00 0.21 0.00 0.00 52.86 51.90 3lce s ASN 25 Cb -0.15 -0.88 1.41 0.00 -0.55 0.00 0.00 41.25 41.08 3lce s ASN 25 CO 0.19 -0.39 1.96 0.35 -2.79 0.00 0.00 177.10 176.42 3lce n THR 26 N 4.61 0.09 0.19 -5.21 -2.24 -1.26 -2.57 114.28 107.88 3lce n THR 26 Ca 0.00 0.02 0.05 0.00 -2.27 0.00 0.00 64.05 61.85 3lce n THR 26 Cb 0.41 -0.56 0.35 0.00 -2.10 0.00 0.00 70.33 68.42 3lce n THR 26 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3lce h SER 27 N 0.00 0.00 0.04 3.42 4.64 -1.96 -3.04 113.55 116.65 3lce h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3lce h SER 27 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3lce h SER 27 CO 0.00 0.39 0.00 0.79 -0.87 0.00 0.00 176.83 177.14 3lce n TRP 28 N -3.68 0.00 0.20 4.77 8.01 -1.06 -2.36 117.44 123.31 3lce n TRP 28 Ca -0.01 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.28 3lce n TRP 28 Cb 0.48 -0.04 0.13 0.00 -2.01 0.00 0.00 31.31 29.87 3lce n TRP 28 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 3lce h ASN 29 N 0.00 0.00 -0.51 -0.99 2.35 -1.75 -3.33 115.58 111.36 3lce h ASN 29 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 3lce h ASN 29 Cb 0.02 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.29 3lce h ASN 29 CO 0.00 0.10 -0.17 0.11 -1.65 0.00 0.00 177.43 175.82 3lce h LYS 30 N 0.00 -0.04 -0.73 0.81 1.57 -1.70 0.55 116.57 117.02 3lce h LYS 30 Ca -0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3lce h LYS 30 Cb 1.08 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 3lce h LYS 30 CO 0.01 -0.03 0.48 0.93 -0.57 0.00 0.00 179.45 180.27 3lce h GLU 31 N -0.05 0.63 -0.00 3.15 4.39 -1.81 0.74 114.58 121.63 3lce h GLU 31 Ca 0.24 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 3lce h GLU 31 Cb 0.42 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3lce h GLU 31 CO -0.55 0.42 -0.35 0.74 -1.16 0.00 0.00 179.01 178.11 3lce h PHE 32 N 0.65 0.35 -0.52 4.33 -1.00 -0.20 -3.34 116.94 117.21 3lce h PHE 32 Ca 0.33 -0.19 -0.10 0.00 2.81 0.00 0.00 57.97 60.82 3lce h PHE 32 Cb 0.44 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.94 3lce h PHE 32 CO -0.00 1.00 -0.09 0.66 -1.61 0.00 0.00 178.31 178.27 3lce h SER 33 N -0.39 0.96 -0.95 2.17 4.64 -0.45 -1.04 113.55 118.49 3lce h SER 33 Ca -0.04 -0.30 0.32 0.00 -0.47 0.00 0.00 61.79 61.30 3lce h SER 33 Cb 1.09 -0.26 -0.17 0.00 -0.31 0.00 0.00 62.40 62.75 3lce h SER 33 CO 0.07 1.06 0.25 0.00 -0.87 0.00 0.00 176.83 177.34 3lce n ALA 34 N -2.49 0.71 0.30 5.18 0.00 0.23 -1.17 120.51 123.27 3lce n ALA 34 Ca 0.02 0.99 0.08 0.00 0.00 0.00 0.00 53.44 54.53 3lce n ALA 34 Cb 0.38 -0.85 0.13 0.00 0.00 0.00 0.00 19.45 19.12 3lce n ALA 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3lce n GLU 35 N -5.28 1.89 -3.36 0.00 -0.58 -0.50 -4.96 120.64 107.86 3lce n GLU 35 Ca 0.29 -1.81 -0.23 0.00 -0.42 0.00 0.00 57.16 54.98 3lce n GLU 35 Cb 0.96 -1.35 0.06 0.00 -0.57 0.00 0.00 31.44 30.54 3lce n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3lce n ALA 36 N 0.95 -1.17 -2.73 0.62 0.00 -0.32 -4.97 120.51 112.90 3lce n ALA 36 Ca 0.13 0.36 -0.36 0.00 0.00 0.00 0.00 53.44 53.57 3lce n ALA 36 Cb 0.45 -4.87 -0.09 0.00 0.00 0.00 0.00 19.45 14.94 3lce n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3lce s VAL 37 N -3.26 5.23 -0.44 0.00 1.01 -0.58 -5.02 120.40 117.34 3lce s VAL 37 Ca 0.47 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 62.39 3lce s VAL 37 Cb -0.21 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.79 3lce s VAL 37 CO 0.58 0.40 0.58 0.20 0.00 0.00 0.00 175.10 176.86 3lce s ASN 38 N 0.72 6.28 0.30 3.32 0.02 -1.26 -4.58 114.94 119.74 3lce s ASN 38 Ca 0.07 -0.48 -0.15 0.00 -1.02 0.00 0.00 52.86 51.28 3lce s ASN 38 Cb -0.13 -2.29 0.06 0.00 0.02 0.00 0.00 41.25 38.91 3lce s ASN 38 CO 0.02 -0.72 0.75 0.61 0.02 0.00 0.00 177.10 177.78 3lce n GLY 39 N 5.07 0.99 3.23 0.66 0.00 -1.26 -0.92 105.19 112.95 3lce n GLY 39 Ca -0.04 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 3lce n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lce s VAL 40 N -2.18 0.02 -0.06 1.61 0.11 0.02 -4.86 120.40 115.05 3lce s VAL 40 Ca 0.16 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.09 3lce s VAL 40 Cb -0.04 -0.52 -0.01 0.00 -1.53 0.00 0.00 36.38 34.28 3lce s VAL 40 CO 0.09 -0.09 -0.25 0.12 -3.33 0.00 0.00 175.10 171.64 3lce s PHE 41 N -0.36 2.45 -0.07 1.54 5.36 -1.26 -1.51 117.98 124.14 3lce s PHE 41 Ca -0.05 -0.77 0.05 0.00 -0.96 0.00 0.00 56.93 55.20 3lce s PHE 41 Cb -0.03 -1.61 -0.00 0.00 -0.34 0.00 0.00 43.02 41.03 3lce s PHE 41 CO 0.02 -0.25 -0.22 0.08 -1.46 0.00 0.00 175.22 173.39 3lce s VAL 42 N -0.09 1.88 -0.04 3.12 1.01 0.81 -3.46 120.40 123.63 3lce s VAL 42 Ca -0.06 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 3lce s VAL 42 Cb -0.14 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.65 3lce s VAL 42 CO 0.04 0.52 0.00 -0.22 0.00 0.00 0.00 175.10 175.45 3lce s LEU 43 N 0.15 0.90 -0.10 3.92 2.96 -0.54 -0.43 118.68 125.54 3lce s LEU 43 Ca -0.11 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3lce s LEU 43 Cb -0.15 -0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.27 3lce s LEU 43 CO 0.06 -0.14 -0.09 0.00 -1.32 0.00 0.00 176.35 174.85 3lce s LYS 45 N 1.35 4.25 0.00 0.00 2.20 -1.23 0.07 119.74 126.38 3lce s LYS 45 Ca -0.02 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 3lce s LYS 45 Cb -0.14 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3lce s LYS 45 CO -0.04 0.35 0.00 0.43 -0.36 0.00 0.00 175.35 175.73 3lce n SER 46 N 2.88 0.00 -3.72 1.43 7.64 0.13 -4.70 113.62 117.29 3lce n SER 46 Ca -0.08 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.74 3lce n SER 46 Cb 0.51 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 3lce n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3lce s SER 47 N 0.00 -0.27 0.00 6.43 1.04 -1.26 -4.91 113.70 114.73 3lce s SER 47 Ca 0.00 -0.38 0.16 0.00 0.48 0.00 0.00 55.95 56.21 3lce s SER 47 Cb 0.00 0.57 0.86 0.00 0.10 0.00 0.00 66.02 67.54 3lce s SER 47 CO 0.00 -1.02 1.39 -1.54 0.98 0.00 0.00 173.24 173.05 3lce n SER 48 N -0.43 0.00 -0.03 7.02 3.41 -1.26 -2.46 113.62 119.86 3lce n SER 48 Ca -0.07 -0.21 0.15 0.00 -0.26 0.00 0.00 58.87 58.47 3lce n SER 48 Cb 0.61 -0.14 0.71 0.00 -0.26 0.00 0.00 64.21 65.12 3lce n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3lce n LYS 49 N -1.14 0.49 -3.47 4.33 5.02 -1.26 -4.28 118.16 117.84 3lce n LYS 49 Ca 0.10 -0.06 -0.28 0.00 -2.02 0.00 0.00 58.31 56.05 3lce n LYS 49 Cb 0.09 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.47 3lce n LYS 49 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3lce s SER 50 N -2.56 2.93 0.18 4.39 1.04 -1.03 -4.26 113.70 114.39 3lce s SER 50 Ca 0.28 -1.83 0.07 0.00 0.48 0.00 0.00 55.95 54.96 3lce s SER 50 Cb 0.20 -0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 3lce s SER 50 CO 0.47 -0.35 0.01 0.00 0.98 0.00 0.00 173.24 174.36 3lce s ALA 52 N -1.75 1.81 0.04 0.00 0.00 0.05 -2.03 121.76 119.89 3lce s ALA 52 Ca 0.28 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 3lce s ALA 52 Cb -0.09 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.88 3lce s ALA 52 CO 0.19 0.23 0.33 -0.08 0.00 0.00 0.00 175.76 176.43 3lce s THR 53 N -1.82 0.07 -0.57 0.00 -1.32 -0.59 -1.46 115.64 109.95 3lce s THR 53 Ca 0.11 -0.62 0.25 0.00 -1.21 0.00 0.00 61.69 60.22 3lce s THR 53 Cb -0.07 -0.92 0.27 0.00 -1.51 0.00 0.00 72.50 70.27 3lce s THR 53 CO 0.05 -0.34 1.75 -0.46 -2.21 0.00 0.00 174.62 173.41 3lce n ASN 54 N 0.60 0.77 -3.33 8.08 6.94 -1.22 0.19 115.26 127.29 3lce n ASN 54 Ca -0.19 0.63 -0.12 0.00 -0.02 0.00 0.00 54.58 54.89 3lce n ASN 54 Cb 0.59 -0.82 -0.06 0.00 -2.36 0.00 0.00 39.78 37.13 3lce n ASN 54 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3lce s ASP 55 N -4.45 0.62 0.24 0.53 -1.08 -1.26 -4.76 116.67 106.51 3lce s ASP 55 Ca 0.07 -0.87 -0.05 0.00 -0.52 0.00 0.00 52.55 51.17 3lce s ASP 55 Cb 0.10 0.93 0.37 0.00 -1.46 0.00 0.00 42.92 42.87 3lce s ASP 55 CO 0.49 -0.31 1.81 -0.07 0.52 0.00 0.00 175.17 177.61 3lce h LEU 56 N 7.69 0.63 0.49 -1.34 3.38 -1.94 -1.84 115.31 122.38 3lce h LEU 56 Ca -0.03 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3lce h LEU 56 Cb 1.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3lce h LEU 56 CO 0.24 0.37 -0.24 0.00 0.09 0.00 0.00 178.44 178.90 3lce h ALA 57 N 1.44 -0.66 0.00 1.53 0.00 -2.00 -3.20 119.26 116.36 3lce h ALA 57 Ca 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3lce h ALA 57 Cb 0.34 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3lce h ALA 57 CO -0.24 -0.75 -0.04 -0.09 0.00 0.00 0.00 179.25 178.13 3lce h ARG 58 N -0.91 0.00 -0.62 0.00 2.43 -1.94 -2.88 114.38 110.46 3lce h ARG 58 Ca -0.07 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.19 3lce h ARG 58 Cb 0.60 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 3lce h ARG 58 CO 0.11 0.04 0.41 0.00 -1.51 0.00 0.00 179.97 179.02 3lce h ALA 59 N 1.96 1.96 -0.32 2.80 0.00 -1.32 -1.41 119.26 122.92 3lce h ALA 59 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3lce h ALA 59 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3lce h ALA 59 CO 0.00 -0.09 0.00 0.43 0.00 0.00 0.00 179.25 179.60 3lce n SER 60 N -4.47 3.00 -4.77 0.00 7.64 -1.09 -2.04 113.62 111.88 3lce n SER 60 Ca 0.10 -1.88 -0.38 0.00 1.01 0.00 0.00 58.87 57.72 3lce n SER 60 Cb 0.34 -0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 3lce n SER 60 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3lce s LYS 61 N -1.16 4.04 -0.07 1.43 1.02 -0.53 -4.74 119.74 119.73 3lce s LYS 61 Ca 0.29 1.75 0.00 0.00 0.02 0.00 0.00 55.97 58.03 3lce s LYS 61 Cb 0.16 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.83 3lce s LYS 61 CO 0.23 -0.30 -0.04 -1.21 -0.92 0.00 0.00 175.35 173.10 3lce s GLU 62 N -2.39 2.81 0.08 1.68 2.02 -1.26 -3.96 118.70 117.68 3lce s GLU 62 Ca 0.58 -0.51 0.01 0.00 0.02 0.00 0.00 54.97 55.07 3lce s GLU 62 Cb -0.28 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.25 3lce s GLU 62 CO 0.35 0.67 -0.06 0.71 0.02 0.00 0.00 175.26 176.96 3lce s TYR 63 N -0.85 0.77 0.21 1.61 2.02 0.34 -4.71 117.35 116.73 3lce s TYR 63 Ca 0.13 -0.93 -0.32 0.00 -0.37 0.00 0.00 57.07 55.58 3lce s TYR 63 Cb -0.11 -0.47 -0.15 0.00 -0.40 0.00 0.00 41.96 40.83 3lce s TYR 63 CO 0.02 -0.21 1.25 1.28 -1.57 0.00 0.00 175.55 176.32 3lce n LEU 64 N 0.10 2.20 0.24 -1.29 4.77 -1.25 -1.25 117.00 120.52 3lce n LEU 64 Ca -0.13 1.15 0.14 0.00 -0.03 0.00 0.00 56.01 57.13 3lce n LEU 64 Cb 0.60 -1.31 0.43 0.00 -2.33 0.00 0.00 43.42 40.82 3lce n LEU 64 CO 0.29 -0.98 0.88 1.55 -1.33 0.00 0.00 177.39 177.80 3lce h PRO 65 N 3.58 0.00 0.00 3.23 0.13 -1.74 -3.46 132.00 133.73 3lce h PRO 65 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3lce h PRO 65 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3lce h PRO 65 CO 0.71 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 3lce n ALA 66 N -2.12 0.00 1.90 -0.56 0.00 -0.10 -2.33 120.51 117.30 3lce n ALA 66 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 3lce n ALA 66 Cb 0.43 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.21 3lce n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3lce n SER 67 N -0.81 0.00 0.21 0.00 7.64 -1.26 -1.01 113.62 118.39 3lce n SER 67 Ca 0.00 -1.55 0.15 0.00 1.01 0.00 0.00 58.87 58.48 3lce n SER 67 Cb 0.00 0.00 0.63 0.00 -1.01 0.00 0.00 64.21 63.83 3lce n SER 67 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3lce h THR 68 N 0.00 0.00 0.00 0.44 1.35 -1.47 -3.40 112.91 109.83 3lce h THR 68 Ca 0.00 -0.33 -0.30 0.00 -0.55 0.00 0.00 66.41 65.23 3lce h THR 68 Cb 0.00 1.19 0.02 0.00 -1.73 0.00 0.00 68.15 67.63 3lce h THR 68 CO 0.00 0.00 2.02 0.33 -0.25 0.00 0.00 175.52 177.62 3lce n PHE 69 N -2.68 0.93 0.00 4.73 7.35 -0.18 -4.43 117.46 123.19 3lce n PHE 69 Ca 0.01 -1.42 0.00 0.00 -0.76 0.00 0.00 57.45 55.28 3lce n PHE 69 Cb 0.24 -1.30 0.00 0.00 0.35 0.00 0.00 39.48 38.77 3lce n PHE 69 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3lce n ILE 71 N 4.80 0.00 -0.01 -2.13 5.41 -1.26 -1.42 119.36 124.75 3lce n ILE 71 Ca 0.32 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 64.05 3lce n ILE 71 Cb 0.14 0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.32 3lce n ILE 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3lce h PRO 72 N 0.00 0.54 -0.93 0.38 0.13 -1.98 -2.31 132.00 127.84 3lce h PRO 72 Ca 0.00 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3lce h PRO 72 Cb 0.00 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.02 3lce h PRO 72 CO 0.00 0.62 0.59 -0.97 -0.23 0.00 0.00 178.00 178.01 3lce h ASN 73 N 0.51 1.09 -0.30 1.44 -0.00 -1.59 0.29 115.58 117.02 3lce h ASN 73 Ca 0.10 -0.05 -0.06 0.00 -0.00 0.00 0.00 56.30 56.29 3lce h ASN 73 Cb 0.44 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.48 3lce h ASN 73 CO 0.02 0.82 -0.06 0.00 -0.00 0.00 0.00 177.43 178.21 3lce h ALA 74 N 1.32 0.42 -0.25 1.57 0.00 -1.69 -0.97 119.26 119.66 3lce h ALA 74 Ca 0.34 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3lce h ALA 74 Cb -0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3lce h ALA 74 CO -0.07 0.23 0.05 0.82 0.00 0.00 0.00 179.25 180.28 3lce h ILE 75 N 0.35 0.88 -0.91 0.00 2.04 -1.08 -1.78 117.51 117.01 3lce h ILE 75 Ca 0.08 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3lce h ILE 75 Cb 0.54 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3lce h ILE 75 CO 0.03 0.03 0.52 0.40 0.00 0.00 0.00 178.15 179.12 3lce h ILE 76 N 0.14 1.26 -0.60 -0.67 2.04 -0.84 -0.03 117.51 118.80 3lce h ILE 76 Ca 0.12 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 3lce h ILE 76 Cb 0.12 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 3lce h ILE 76 CO -0.16 0.28 0.15 1.23 0.00 0.00 0.00 178.15 179.65 3lce h GLY 77 N 1.26 1.01 0.83 5.37 0.00 -0.99 -0.22 103.07 110.32 3lce h GLY 77 Ca 0.32 -0.60 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 3lce h GLY 77 CO -0.06 0.56 -0.38 1.41 0.00 0.00 0.00 176.54 178.07 3lce h LEU 78 N 0.90 0.56 -1.11 3.11 3.38 -0.93 0.34 115.31 121.55 3lce h LEU 78 Ca 0.19 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.59 3lce h LEU 78 Cb 0.32 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3lce h LEU 78 CO -0.00 1.06 0.60 -0.33 0.09 0.00 0.00 178.44 179.86 3lce h GLU 79 N 0.08 1.15 -0.00 1.13 4.39 -0.68 -1.97 114.58 118.68 3lce h GLU 79 Ca -0.01 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3lce h GLU 79 Cb 1.00 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3lce h GLU 79 CO 0.08 0.76 -0.17 0.25 -1.16 0.00 0.00 179.01 178.77 3lce n THR 80 N -4.42 0.00 -0.92 1.13 -2.24 -0.12 -4.92 114.28 102.78 3lce n THR 80 Ca 0.11 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3lce n THR 80 Cb 0.06 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3lce n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lce n GLY 81 N 1.37 1.08 0.37 3.38 0.00 -0.74 -4.86 105.19 105.79 3lce n GLY 81 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 3lce n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3lce h VAL 82 N 0.00 1.24 -3.66 1.61 2.07 -1.37 -3.34 116.25 112.80 3lce h VAL 82 Ca 0.00 -0.45 -0.62 0.00 0.82 0.00 0.00 66.70 66.44 3lce h VAL 82 Cb 0.00 -0.20 -0.14 0.00 -1.52 0.00 0.00 31.29 29.43 3lce h VAL 82 CO 0.00 0.24 -0.25 -0.63 0.02 0.00 0.00 177.57 176.95 3lce s ILE 83 N -6.12 5.20 0.10 4.57 1.01 0.11 -4.99 121.20 121.07 3lce s ILE 83 Ca -0.13 0.56 -0.29 0.00 0.00 0.00 0.00 60.65 60.80 3lce s ILE 83 Cb 0.18 -3.69 -0.12 0.00 0.01 0.00 0.00 42.46 38.84 3lce s ILE 83 CO 0.82 0.19 1.64 0.50 0.00 0.00 0.00 174.94 178.09 3lce h LYS 84 N 7.95 -0.54 0.00 2.79 3.64 -1.86 -3.40 116.57 125.14 3lce h LYS 84 Ca -0.33 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.13 3lce h LYS 84 Cb 1.16 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 3lce h LYS 84 CO 0.66 -0.36 0.23 0.27 -2.27 0.00 0.00 179.45 177.98 3lce n ASN 85 N -5.38 -0.92 0.33 4.20 0.23 -1.26 -4.97 115.26 107.49 3lce n ASN 85 Ca -0.09 -1.54 0.21 0.00 -0.53 0.00 0.00 54.58 52.64 3lce n ASN 85 Cb 0.29 1.50 1.14 0.00 -2.08 0.00 0.00 39.78 40.64 3lce n ASN 85 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3lce h GLU 86 N 0.00 0.00 -0.46 -3.83 4.11 -1.99 -2.60 114.58 109.81 3lce h GLU 86 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 3lce h GLU 86 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3lce h GLU 86 CO 0.18 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.99 3lce n HIS 87 N -3.21 0.59 -1.73 2.06 8.25 -1.26 -4.57 115.22 115.35 3lce n HIS 87 Ca -0.03 -0.30 -0.42 0.00 -0.26 0.00 0.00 57.72 56.71 3lce n HIS 87 Cb 0.09 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 3lce n HIS 87 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3lce n GLN 88 N 1.47 2.69 -3.85 -0.41 7.27 -0.98 -4.95 117.38 118.62 3lce n GLN 88 Ca 0.20 0.96 -0.35 0.00 0.07 0.00 0.00 57.00 57.88 3lce n GLN 88 Cb 0.60 -2.76 -0.08 0.00 2.41 0.00 0.00 30.24 30.41 3lce n GLN 88 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3lce s VAL 89 N 0.32 5.26 -0.42 1.69 1.01 -1.26 -3.63 120.40 123.37 3lce s VAL 89 Ca 0.67 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.64 3lce s VAL 89 Cb -0.51 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 32.55 3lce s VAL 89 CO 0.44 0.50 0.30 -0.36 0.00 0.00 0.00 175.10 175.98 3lce s PHE 90 N -0.05 3.25 0.23 5.22 0.40 0.01 -4.96 117.98 122.08 3lce s PHE 90 Ca 0.09 -0.81 -0.20 0.00 -0.60 0.00 0.00 56.93 55.41 3lce s PHE 90 Cb -0.12 -2.73 -0.08 0.00 0.51 0.00 0.00 43.02 40.60 3lce s PHE 90 CO 0.00 -0.67 0.74 0.15 0.70 0.00 0.00 175.22 176.14 3lce s LYS 91 N 1.63 4.27 -0.06 0.44 1.02 -1.26 -1.39 119.74 124.39 3lce s LYS 91 Ca 0.04 0.90 -0.23 0.00 0.02 0.00 0.00 55.97 56.70 3lce s LYS 91 Cb -0.21 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 3lce s LYS 91 CO 0.08 0.39 0.68 -0.46 -0.92 0.00 0.00 175.35 175.12 3lce s TRP 92 N -1.52 3.59 -2.00 3.18 -0.00 -1.26 -4.91 118.94 116.02 3lce s TRP 92 Ca 0.43 1.23 0.30 0.00 -0.00 0.00 0.00 56.10 58.06 3lce s TRP 92 Cb -0.17 -2.76 1.78 0.00 -0.00 0.00 0.00 33.47 32.32 3lce s TRP 92 CO 0.21 0.14 2.12 -0.40 -0.00 0.00 0.00 176.95 179.02 3lce n ASP 93 N 3.59 0.00 0.00 5.86 5.68 -1.26 -4.88 116.55 125.53 3lce n ASP 93 Ca -0.02 -0.98 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 3lce n ASP 93 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3lce n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3lce n GLY 94 N 0.90 0.83 3.92 6.12 0.00 -1.26 -5.02 105.19 110.67 3lce n GLY 94 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 3lce n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lce s LYS 95 N -0.26 3.56 0.41 1.61 -0.14 -1.26 -5.03 119.74 118.63 3lce s LYS 95 Ca 0.00 -0.16 -0.26 0.00 -1.36 0.00 0.00 55.97 54.19 3lce s LYS 95 Cb 0.00 -2.68 -0.09 0.00 -1.68 0.00 0.00 37.83 33.38 3lce s LYS 95 CO 0.00 0.22 1.35 -2.14 -0.76 0.00 0.00 175.35 174.03 3lce s PRO 96 N -3.75 3.94 0.32 -1.68 0.02 -1.26 -5.02 135.00 127.57 3lce s PRO 96 Ca 0.42 2.27 0.06 0.00 0.02 0.00 0.00 61.00 63.76 3lce s PRO 96 Cb -0.10 -2.78 -0.06 0.00 0.02 0.00 0.00 34.50 31.58 3lce s PRO 96 CO 0.32 -0.56 -0.02 1.03 -0.33 0.00 0.00 177.00 177.45 3lce s ARG 97 N -2.24 1.67 0.53 5.54 0.52 -1.26 -5.04 118.95 118.66 3lce s ARG 97 Ca 0.57 -1.89 0.31 0.00 -0.52 0.00 0.00 55.73 54.20 3lce s ARG 97 Cb -0.40 -1.19 1.26 0.00 0.52 0.00 0.00 34.95 35.14 3lce s ARG 97 CO 0.52 -0.03 1.95 0.00 0.02 0.00 0.00 175.30 177.76 3lce h ALA 98 N 2.13 1.01 -3.42 2.13 0.00 -1.98 -3.42 119.26 115.71 3lce h ALA 98 Ca -0.41 -0.05 -0.47 0.00 0.00 0.00 0.00 54.91 53.98 3lce h ALA 98 Cb 1.24 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 18.68 3lce h ALA 98 CO 0.70 0.07 -0.79 -1.64 0.00 0.00 0.00 179.25 177.59 3lce s MET 99 N -3.68 1.29 0.43 0.00 -1.94 -1.26 -5.01 119.30 109.14 3lce s MET 99 Ca 0.01 -0.26 0.15 0.00 -1.71 0.00 0.00 55.69 53.88 3lce s MET 99 Cb 0.09 -1.17 1.05 0.00 2.01 0.00 0.00 34.83 36.82 3lce s MET 99 CO 0.57 -0.05 1.93 -0.22 -0.01 0.00 0.00 175.02 177.24 3lce h LYS 100 N 7.17 0.40 0.00 2.03 1.63 -1.98 0.19 116.57 126.01 3lce h LYS 100 Ca -0.33 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.44 3lce h LYS 100 Cb 1.17 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.71 3lce h LYS 100 CO 0.46 0.26 -0.01 1.96 -3.45 0.00 0.00 179.45 178.68 3lce h GLN 101 N 0.41 0.00 -0.00 1.90 4.20 -1.97 -1.97 115.11 117.67 3lce h GLN 101 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 3lce h GLN 101 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 3lce h GLN 101 CO -0.11 0.01 -0.21 0.91 -0.67 0.00 0.00 178.83 178.77 3lce n TRP 102 N -3.13 0.00 -2.07 2.96 8.01 0.66 -4.57 117.44 119.30 3lce n TRP 102 Ca -0.01 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.76 3lce n TRP 102 Cb 0.23 -0.19 -0.00 0.00 -2.01 0.00 0.00 31.31 29.34 3lce n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3lce n GLU 103 N -0.94 3.56 -3.58 -0.99 1.02 -0.74 -4.83 120.64 114.13 3lce n GLU 103 Ca 0.12 -3.19 0.02 0.00 -0.02 0.00 0.00 57.16 54.09 3lce n GLU 103 Cb 0.31 -2.97 -0.01 0.00 -0.02 0.00 0.00 31.44 28.76 3lce n GLU 103 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3lce s ARG 104 N 1.02 0.06 0.44 3.49 3.03 -1.26 -5.06 118.95 120.67 3lce s ARG 104 Ca 0.45 -0.03 -0.24 0.00 2.03 0.00 0.00 55.73 57.94 3lce s ARG 104 Cb 0.12 0.02 -0.08 0.00 -1.03 0.00 0.00 34.95 33.99 3lce s ARG 104 CO -0.04 -0.03 1.27 -0.51 -1.13 0.00 0.00 175.30 174.86 3lce s ASP 105 N -2.72 6.12 0.01 -2.89 1.01 -1.26 -4.29 116.67 112.65 3lce s ASP 105 Ca 0.14 2.56 0.01 0.00 0.71 0.00 0.00 52.55 55.97 3lce s ASP 105 Cb 0.05 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 3lce s ASP 105 CO -0.05 -0.97 -0.05 -0.76 0.21 0.00 0.00 175.17 173.55 3lce s LEU 106 N -2.76 2.08 0.94 1.23 1.43 -0.49 -4.96 118.68 116.15 3lce s LEU 106 Ca 0.61 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 53.35 3lce s LEU 106 Cb -0.35 -0.18 0.18 0.00 0.03 0.00 0.00 46.19 45.86 3lce s LEU 106 CO 0.44 -0.03 1.30 0.42 0.23 0.00 0.00 176.35 178.71 3lce s THR 107 N -0.47 2.00 0.11 5.49 -4.23 -1.26 -0.81 115.64 116.47 3lce s THR 107 Ca -0.02 -0.01 -0.21 0.00 -1.18 0.00 0.00 61.69 60.27 3lce s THR 107 Cb -0.04 -2.99 -0.10 0.00 1.34 0.00 0.00 72.50 70.71 3lce s THR 107 CO -0.00 0.00 1.76 0.25 -0.54 0.00 0.00 174.62 176.09 3lce h LEU 108 N -1.54 0.16 -0.84 4.79 5.85 -1.80 0.18 115.31 122.11 3lce h LEU 108 Ca -0.44 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 3lce h LEU 108 Cb 1.25 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 3lce h LEU 108 CO 0.42 0.12 0.29 -0.09 -0.34 0.00 0.00 178.44 178.84 3lce h ARG 109 N 0.18 1.15 -0.63 1.25 2.43 -1.88 -1.88 114.38 114.99 3lce h ARG 109 Ca 0.05 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 3lce h ARG 109 Cb -0.01 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 3lce h ARG 109 CO -0.01 0.94 0.18 0.78 -1.51 0.00 0.00 179.97 180.34 3lce h GLY 110 N 1.14 1.04 1.91 2.80 0.00 -1.77 0.19 103.07 108.39 3lce h GLY 110 Ca 0.25 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 3lce h GLY 110 CO -0.02 0.57 -0.61 0.00 0.00 0.00 0.00 176.54 176.48 3lce h ALA 111 N 1.26 0.94 -0.07 3.60 0.00 -0.60 -0.80 119.26 123.60 3lce h ALA 111 Ca 0.20 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 3lce h ALA 111 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3lce h ALA 111 CO -0.00 0.75 -0.31 0.82 0.00 0.00 0.00 179.25 180.50 3lce h ILE 112 N 0.06 1.43 -0.29 0.00 2.04 -0.91 -0.50 117.51 119.34 3lce h ILE 112 Ca -0.01 -1.72 -0.07 0.00 1.00 0.00 0.00 64.86 64.06 3lce h ILE 112 Cb 1.09 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 39.49 3lce h ILE 112 CO 0.08 0.49 -0.11 1.56 0.00 0.00 0.00 178.15 180.18 3lce h GLN 113 N -0.17 0.49 -0.37 2.37 1.08 -0.67 -1.47 115.11 116.37 3lce h GLN 113 Ca -0.02 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3lce h GLN 113 Cb 0.96 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3lce h GLN 113 CO 0.06 0.60 0.00 1.33 -0.95 0.00 0.00 178.83 179.88 3lce n VAL 114 N -4.21 0.48 -3.69 -0.54 0.24 -0.33 -4.98 118.33 105.29 3lce n VAL 114 Ca 0.01 -0.67 -0.25 0.00 -2.04 0.00 0.00 64.34 61.39 3lce n VAL 114 Cb 0.31 0.77 0.03 0.00 -1.47 0.00 0.00 33.84 33.48 3lce n VAL 114 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3lce n SER 115 N 1.21 -3.16 -4.56 -1.34 7.64 -0.55 -4.85 113.62 108.01 3lce n SER 115 Ca 0.19 -0.92 -0.33 0.00 1.01 0.00 0.00 58.87 58.82 3lce n SER 115 Cb 0.53 -3.73 -0.04 0.00 -1.01 0.00 0.00 64.21 59.96 3lce n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3lce s ALA 116 N -3.61 2.19 0.22 -0.43 0.00 -0.23 -4.86 121.76 115.04 3lce s ALA 116 Ca 0.23 -1.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.05 3lce s ALA 116 Cb -0.07 -4.57 0.23 0.00 0.00 0.00 0.00 23.12 18.71 3lce s ALA 116 CO 0.84 -4.31 1.57 0.28 0.00 0.00 0.00 175.76 174.14 3lce h VAL 117 N 6.81 0.11 -0.03 0.00 2.07 -1.88 -2.46 116.25 120.87 3lce h VAL 117 Ca 0.18 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.63 3lce h VAL 117 Cb 0.99 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3lce h VAL 117 CO 1.31 0.00 -0.30 1.55 0.02 0.00 0.00 177.57 180.15 3lce h PRO 118 N -0.06 0.05 -0.35 1.57 0.13 -1.99 0.12 132.00 131.47 3lce h PRO 118 Ca 0.32 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.49 3lce h PRO 118 Cb 0.59 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.66 3lce h PRO 118 CO -0.84 0.35 0.04 0.28 -0.23 0.00 0.00 178.00 177.60 3lce h VAL 119 N 0.05 0.79 0.00 1.56 2.07 -1.85 -2.52 116.25 116.34 3lce h VAL 119 Ca 0.01 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 3lce h VAL 119 Cb 0.55 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3lce h VAL 119 CO 0.04 0.03 -0.46 -0.26 0.02 0.00 0.00 177.57 176.94 3lce h PHE 120 N 0.15 0.00 -0.57 1.57 -1.00 -1.34 -1.50 116.94 114.25 3lce h PHE 120 Ca 0.17 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 3lce h PHE 120 Cb 0.21 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 3lce h PHE 120 CO -0.21 0.46 0.32 1.96 -1.61 0.00 0.00 178.31 179.24 3lce h GLN 121 N 0.00 0.79 -0.28 1.51 4.20 -0.65 0.18 115.11 120.87 3lce h GLN 121 Ca -0.00 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.46 3lce h GLN 121 Cb 1.13 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 3lce h GLN 121 CO 0.06 0.60 -0.45 0.37 -0.67 0.00 0.00 178.83 178.73 3lce h GLN 122 N 0.77 0.72 -0.25 1.46 5.75 -1.26 -2.03 115.11 120.27 3lce h GLN 122 Ca 0.20 -0.40 0.04 0.00 -0.15 0.00 0.00 58.65 58.34 3lce h GLN 122 Cb 0.03 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 3lce h GLN 122 CO -0.03 1.02 0.00 0.82 -2.65 0.00 0.00 178.83 177.99 3lce h ILE 123 N 0.57 0.83 -0.56 2.39 2.04 -1.14 -1.66 117.51 119.99 3lce h ILE 123 Ca 0.04 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3lce h ILE 123 Cb 1.01 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 3lce h ILE 123 CO 0.10 0.01 0.30 0.00 0.00 0.00 0.00 178.15 178.56 3lce h ALA 124 N 1.21 0.72 -0.48 1.87 0.00 -0.78 0.36 119.26 122.16 3lce h ALA 124 Ca 0.12 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3lce h ALA 124 Cb 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3lce h ALA 124 CO -0.20 -0.02 0.15 0.00 0.00 0.00 0.00 179.25 179.19 3lce h ARG 125 N 0.58 0.31 -0.21 0.00 3.08 -1.24 -0.09 114.38 116.81 3lce h ARG 125 Ca 0.24 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.14 3lce h ARG 125 Cb 0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3lce h ARG 125 CO -0.15 0.20 -0.41 0.93 -1.07 0.00 0.00 179.97 179.47 3lce h GLU 126 N 0.31 0.50 0.09 0.04 5.08 -0.83 -3.03 114.58 116.73 3lce h GLU 126 Ca 0.23 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3lce h GLU 126 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3lce h GLU 126 CO -0.25 0.82 -0.13 0.28 -1.00 0.00 0.00 179.01 178.73 3lce h VAL 127 N 0.41 0.69 0.00 3.13 2.07 -0.60 -3.49 116.25 118.46 3lce h VAL 127 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3lce h VAL 127 Cb 0.90 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3lce h VAL 127 CO 0.08 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.28 3lce n GLY 128 N -1.26 0.76 0.34 2.17 0.00 -0.08 -4.32 105.19 102.80 3lce n GLY 128 Ca -0.07 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3lce n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3lce h GLU 129 N 0.00 1.05 0.27 1.61 4.81 -1.88 -1.32 114.58 119.12 3lce h GLU 129 Ca 0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3lce h GLU 129 Cb 0.00 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.15 3lce h GLU 129 CO 0.00 0.70 -0.13 0.28 -0.73 0.00 0.00 179.01 179.13 3lce h VAL 130 N 1.09 0.74 -0.20 0.32 2.07 -2.00 -1.57 116.25 116.69 3lce h VAL 130 Ca 0.38 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.81 3lce h VAL 130 Cb 0.09 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3lce h VAL 130 CO -0.15 0.01 -0.16 0.03 0.02 0.00 0.00 177.57 177.32 3lce h ARG 131 N -0.38 0.33 -0.24 1.57 3.08 -1.72 -1.85 114.38 115.17 3lce h ARG 131 Ca -0.04 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 3lce h ARG 131 Cb 0.29 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3lce h ARG 131 CO 0.06 0.49 -0.25 1.98 -1.07 0.00 0.00 179.97 181.18 3lce h MET 132 N 0.31 0.59 -0.17 0.04 4.05 -1.08 -1.47 114.93 117.20 3lce h MET 132 Ca 0.06 -0.32 -0.00 0.00 -0.28 0.00 0.00 59.70 59.16 3lce h MET 132 Cb 0.47 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 3lce h MET 132 CO 0.03 0.91 0.10 0.37 0.23 0.00 0.00 176.91 178.55 3lce h GLN 133 N 0.29 0.22 -0.40 0.39 5.75 -1.21 -1.25 115.11 118.90 3lce h GLN 133 Ca 0.04 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 3lce h GLN 133 Cb 0.81 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.25 3lce h GLN 133 CO 0.06 0.19 -0.03 -0.22 -2.65 0.00 0.00 178.83 176.18 3lce h LYS 134 N 0.20 0.07 -0.16 1.69 3.64 -1.12 -1.92 116.57 118.96 3lce h LYS 134 Ca 0.06 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 3lce h LYS 134 Cb 0.02 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3lce h LYS 134 CO -0.01 0.05 -0.43 1.88 -2.27 0.00 0.00 179.45 178.67 3lce h TYR 135 N 0.07 0.46 0.00 1.91 0.05 -0.91 -1.56 116.97 117.00 3lce h TYR 135 Ca 0.20 -0.13 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 3lce h TYR 135 Cb 0.29 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3lce h TYR 135 CO -0.29 0.75 -0.33 -0.07 -1.05 0.00 0.00 178.16 177.18 3lce h LEU 136 N 0.32 0.00 -0.11 3.88 3.38 -0.87 0.12 115.31 122.03 3lce h LEU 136 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3lce h LEU 136 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3lce h LEU 136 CO 0.07 0.33 -0.04 0.50 0.09 0.00 0.00 178.44 179.39 3lce h LYS 137 N 0.00 0.22 -0.69 1.13 3.64 -0.96 -1.39 116.57 118.52 3lce h LYS 137 Ca -0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3lce h LYS 137 Cb 0.95 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 3lce h LYS 137 CO 0.04 0.55 0.45 0.87 -2.27 0.00 0.00 179.45 179.10 3lce h LYS 138 N -0.12 0.92 -0.00 1.90 1.57 -0.60 -2.24 116.57 118.00 3lce h LYS 138 Ca 0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3lce h LYS 138 Cb 0.48 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3lce h LYS 138 CO 0.01 0.62 -0.03 1.19 -0.57 0.00 0.00 179.45 180.67 3lce n PHE 139 N -4.42 0.00 -3.89 -1.35 3.72 0.34 -4.75 117.46 107.10 3lce n PHE 139 Ca 0.07 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.11 3lce n PHE 139 Cb 0.04 -0.25 0.02 0.00 -0.94 0.00 0.00 39.48 38.35 3lce n PHE 139 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3lce n SER 140 N -1.20 -3.93 -4.36 4.37 7.64 -0.85 -4.88 113.62 110.42 3lce n SER 140 Ca 0.15 -1.14 -0.46 0.00 1.01 0.00 0.00 58.87 58.43 3lce n SER 140 Cb 0.25 -2.62 -0.02 0.00 -1.01 0.00 0.00 64.21 60.80 3lce n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3lce s TYR 141 N -3.60 3.56 0.00 1.43 6.14 -0.57 -4.97 117.35 119.35 3lce s TYR 141 Ca 0.40 -1.78 0.00 0.00 0.64 0.00 0.00 57.07 56.33 3lce s TYR 141 Cb -0.18 -3.93 0.00 0.00 0.42 0.00 0.00 41.96 38.27 3lce s TYR 141 CO 0.91 -1.11 0.00 0.41 0.64 0.00 0.00 175.55 176.40 3lce n GLY 142 N 4.43 1.65 0.00 8.97 0.00 -1.26 -1.53 105.19 117.45 3lce n GLY 142 Ca 0.14 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.70 3lce n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3lce n ASN 143 N -1.03 0.00 -2.24 1.61 6.94 -0.10 -4.90 115.26 115.54 3lce n ASN 143 Ca 0.00 -0.26 -0.15 0.00 -0.02 0.00 0.00 54.58 54.15 3lce n ASN 143 Cb 0.00 -0.17 -0.02 0.00 -2.36 0.00 0.00 39.78 37.23 3lce n ASN 143 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3lce n GLN 144 N -1.17 -1.92 -3.51 -3.83 6.02 -0.58 -4.94 117.38 107.45 3lce n GLN 144 Ca 0.12 0.75 -0.42 0.00 -0.01 0.00 0.00 57.00 57.44 3lce n GLN 144 Cb 0.13 -5.31 -0.09 0.00 1.02 0.00 0.00 30.24 25.99 3lce n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3lce s ASN 145 N -2.08 5.86 -0.35 1.08 3.84 -1.26 -4.94 114.94 117.09 3lce s ASN 145 Ca 0.00 -1.46 0.08 0.00 0.21 0.00 0.00 52.86 51.69 3lce s ASN 145 Cb 0.00 -2.07 0.67 0.00 -0.55 0.00 0.00 41.25 39.29 3lce s ASN 145 CO 0.00 -0.60 1.76 2.30 -2.79 0.00 0.00 177.10 177.77 3lce n ILE 146 N 5.04 2.91 -1.57 -5.21 -5.35 -1.26 -1.76 119.36 112.16 3lce n ILE 146 Ca -0.11 -1.94 -0.31 0.00 -0.27 0.00 0.00 62.75 60.12 3lce n ILE 146 Cb 0.43 -0.38 0.06 0.00 -1.74 0.00 0.00 39.64 38.01 3lce n ILE 146 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3lce s SER 147 N -1.46 5.10 0.00 7.28 1.04 -1.26 -4.26 113.70 120.14 3lce s SER 147 Ca 0.53 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.46 3lce s SER 147 Cb 0.44 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 64.23 3lce s SER 147 CO 0.10 -1.61 0.00 0.61 0.98 0.00 0.00 173.24 173.32 3lce n GLY 148 N -2.06 1.14 0.00 7.32 0.00 -1.26 -2.49 105.19 107.84 3lce n GLY 148 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3lce n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lce n GLY 149 N -0.94 1.71 0.30 -0.02 0.00 -1.26 -4.39 105.19 100.58 3lce n GLY 149 Ca 0.00 -1.44 0.17 0.00 0.00 0.00 0.00 46.02 44.75 3lce n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3lce h ILE 150 N 0.00 0.38 -0.37 -0.61 6.09 -1.94 -0.75 117.51 120.30 3lce h ILE 150 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 3lce h ILE 150 Cb 0.00 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.37 3lce h ILE 150 CO 0.00 0.02 0.00 -0.90 -3.07 0.00 0.00 178.15 174.20 3lce n ASP 151 N -3.58 3.43 0.00 2.19 5.68 -1.26 -4.53 116.55 118.49 3lce n ASP 151 Ca -0.03 -2.33 0.00 0.00 -0.50 0.00 0.00 54.79 51.94 3lce n ASP 151 Cb 0.12 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 3lce n ASP 151 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3lce n LYS 152 N 0.35 0.00 -0.08 0.11 2.85 -0.53 -4.81 118.16 116.05 3lce n LYS 152 Ca 0.16 -0.26 0.10 0.00 -1.05 0.00 0.00 58.31 57.27 3lce n LYS 152 Cb 0.61 -0.27 0.47 0.00 -0.65 0.00 0.00 35.03 35.20 3lce n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3lce h PHE 153 N 0.00 0.48 -0.01 5.58 -5.15 -1.39 -1.36 116.94 115.10 3lce h PHE 153 Ca 0.00 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 3lce h PHE 153 Cb 0.97 -0.16 0.00 0.00 0.22 0.00 0.00 35.95 36.99 3lce h PHE 153 CO 0.00 0.25 -0.15 -2.67 -2.00 0.00 0.00 178.31 173.74 3lce n TRP 154 N -4.47 0.00 -0.07 6.09 2.14 -1.26 -2.25 117.44 117.62 3lce n TRP 154 Ca 0.09 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.56 3lce n TRP 154 Cb 0.30 -0.12 -0.06 0.00 -0.81 0.00 0.00 31.31 30.62 3lce n TRP 154 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3lce n LEU 155 N -0.63 2.98 -0.06 5.67 4.77 -0.82 -0.93 117.00 127.98 3lce n LEU 155 Ca 0.15 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3lce n LEU 155 Cb 0.31 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3lce n LEU 155 CO 0.23 0.73 0.16 -1.84 -1.33 0.00 0.00 177.39 175.34 3lce n GLU 156 N -2.91 0.00 0.00 3.23 0.28 -0.57 -4.90 120.64 115.76 3lce n GLU 156 Ca -0.24 -0.33 0.00 0.00 -0.16 0.00 0.00 57.16 56.43 3lce n GLU 156 Cb 0.76 -0.29 0.00 0.00 1.43 0.00 0.00 31.44 33.34 3lce n GLU 156 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3lce n GLY 157 N 0.00 1.78 0.10 -1.84 0.00 -0.95 -4.99 105.19 99.29 3lce n GLY 157 Ca 0.00 -1.81 0.11 0.00 0.00 0.00 0.00 46.02 44.32 3lce n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3lce n GLN 158 N 0.00 0.29 -2.00 1.61 1.13 -1.04 -4.93 117.38 112.45 3lce n GLN 158 Ca 0.00 -0.21 -0.42 0.00 -1.94 0.00 0.00 57.00 54.43 3lce n GLN 158 Cb 0.00 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.83 3lce n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3lce s LEU 159 N -2.85 4.38 0.01 1.08 2.96 -0.72 -4.72 118.68 118.82 3lce s LEU 159 Ca 0.13 2.61 -0.00 0.00 -0.22 0.00 0.00 54.13 56.66 3lce s LEU 159 Cb 0.17 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 3lce s LEU 159 CO 0.71 -0.74 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.85 3lce s ARG 160 N 0.29 0.21 0.01 1.98 1.81 -1.26 -3.92 118.95 118.08 3lce s ARG 160 Ca 0.63 -0.41 -0.14 0.00 -1.72 0.00 0.00 55.73 54.09 3lce s ARG 160 Cb -0.42 0.07 0.02 0.00 -0.45 0.00 0.00 34.95 34.18 3lce s ARG 160 CO 0.38 -0.03 0.31 -1.50 -0.68 0.00 0.00 175.30 173.77 3lce s ILE 161 N -0.99 0.07 0.36 1.52 2.07 -0.38 -0.93 121.20 122.93 3lce s ILE 161 Ca -0.11 -0.58 0.05 0.00 -1.41 0.00 0.00 60.65 58.60 3lce s ILE 161 Cb -0.07 -0.77 -0.01 0.00 0.13 0.00 0.00 42.46 41.74 3lce s ILE 161 CO -0.01 -0.32 0.52 -0.94 -1.91 0.00 0.00 174.94 172.28 3lce s SER 162 N -1.69 5.94 0.21 4.50 1.04 -1.25 -0.51 113.70 121.94 3lce s SER 162 Ca -0.09 -0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.16 3lce s SER 162 Cb -0.03 -1.31 0.18 0.00 0.10 0.00 0.00 66.02 64.96 3lce s SER 162 CO 0.01 -0.49 1.85 0.00 0.98 0.00 0.00 173.24 175.58 3lce h ALA 163 N 0.78 0.90 -0.64 5.32 0.00 -1.72 -1.39 119.26 122.51 3lce h ALA 163 Ca -0.46 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.50 3lce h ALA 163 Cb 1.26 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3lce h ALA 163 CO 0.54 0.21 0.32 0.28 0.00 0.00 0.00 179.25 180.60 3lce h VAL 164 N 0.85 0.88 -0.34 0.00 2.07 -1.78 -1.45 116.25 116.48 3lce h VAL 164 Ca 0.28 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 3lce h VAL 164 Cb 0.01 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3lce h VAL 164 CO -0.10 0.10 -0.10 -1.13 0.02 0.00 0.00 177.57 176.36 3lce h ASN 165 N 0.57 0.56 -0.44 0.57 -0.73 -1.76 -0.92 115.58 113.42 3lce h ASN 165 Ca 0.30 -0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 3lce h ASN 165 Cb 0.28 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 3lce h ASN 165 CO -0.23 0.70 0.18 1.56 -0.37 0.00 0.00 177.43 179.26 3lce h GLN 166 N 0.53 0.65 -0.67 6.67 1.08 -0.75 -0.42 115.11 122.20 3lce h GLN 166 Ca 0.10 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 3lce h GLN 166 Cb 0.49 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 3lce h GLN 166 CO 0.03 0.60 0.13 0.28 -0.95 0.00 0.00 178.83 178.91 3lce h VAL 167 N 0.57 1.26 -0.10 -0.54 2.07 -0.77 0.73 116.25 119.47 3lce h VAL 167 Ca 0.15 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.66 3lce h VAL 167 Cb 0.18 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3lce h VAL 167 CO -0.01 0.38 0.03 -0.33 0.02 0.00 0.00 177.57 177.66 3lce h GLU 168 N 1.03 0.07 -0.16 1.57 5.08 -0.92 -0.89 114.58 120.35 3lce h GLU 168 Ca 0.21 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 3lce h GLU 168 Cb 0.42 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 3lce h GLU 168 CO 0.01 0.05 -0.17 0.35 -1.00 0.00 0.00 179.01 178.25 3lce h PHE 169 N 0.07 -0.43 -0.70 4.33 3.57 -0.79 -2.14 116.94 120.86 3lce h PHE 169 Ca 0.05 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3lce h PHE 169 Cb 0.03 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3lce h PHE 169 CO -0.11 -0.24 0.20 -0.07 -2.23 0.00 0.00 178.31 175.86 3lce h LEU 170 N -0.19 1.02 -0.52 0.59 3.38 -0.74 -0.78 115.31 118.08 3lce h LEU 170 Ca 0.11 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3lce h LEU 170 Cb 0.35 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3lce h LEU 170 CO -0.28 0.96 0.31 -0.08 0.09 0.00 0.00 178.44 179.45 3lce h GLU 171 N 1.05 0.60 -0.57 1.13 4.81 -1.10 0.37 114.58 120.87 3lce h GLU 171 Ca 0.23 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3lce h GLU 171 Cb 0.32 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3lce h GLU 171 CO -0.00 0.40 0.37 0.77 -0.73 0.00 0.00 179.01 179.81 3lce h SER 172 N 0.62 0.66 -0.59 1.04 0.02 -0.81 -1.33 113.55 113.17 3lce h SER 172 Ca 0.21 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3lce h SER 172 Cb 0.02 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 3lce h SER 172 CO -0.09 0.49 0.37 0.25 -1.14 0.00 0.00 176.83 176.71 3lce h LEU 173 N 0.77 0.70 -1.14 5.07 5.85 -0.54 0.19 115.31 126.22 3lce h LEU 173 Ca 0.21 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3lce h LEU 173 Cb -0.07 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 3lce h LEU 173 CO -0.04 0.54 0.59 0.22 -0.34 0.00 0.00 178.44 179.40 3lce h TYR 174 N 0.80 1.05 -0.07 1.25 3.20 0.35 -1.18 116.97 122.38 3lce h TYR 174 Ca 0.21 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3lce h TYR 174 Cb -0.05 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.88 3lce h TYR 174 CO -0.03 0.55 0.00 1.28 -1.64 0.00 0.00 178.16 178.32 3lce n LEU 175 N -4.49 1.37 -1.99 2.82 4.77 -0.56 -4.89 117.00 114.02 3lce n LEU 175 Ca 0.14 -0.50 -0.16 0.00 -0.03 0.00 0.00 56.01 55.45 3lce n LEU 175 Cb 0.20 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3lce n LEU 175 CO 0.33 0.25 -0.14 0.59 -1.33 0.00 0.00 177.39 177.09 3lce n ASN 176 N 0.09 -4.85 -0.97 -1.43 3.02 -0.35 -4.91 115.26 105.85 3lce n ASN 176 Ca 0.18 -0.08 0.11 0.00 -0.03 0.00 0.00 54.58 54.77 3lce n ASN 176 Cb 0.31 -3.89 0.13 0.00 -0.61 0.00 0.00 39.78 35.73 3lce n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3lce n LYS 177 N -2.76 2.25 -1.05 3.52 5.02 0.53 -4.82 118.16 120.85 3lce n LYS 177 Ca -0.16 -1.98 -0.31 0.00 -2.02 0.00 0.00 58.31 53.84 3lce n LYS 177 Cb 0.63 -1.45 0.12 0.00 -0.02 0.00 0.00 35.03 34.31 3lce n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3lce s LEU 178 N -1.75 2.98 -1.37 -0.35 1.43 -1.25 -4.90 118.68 113.47 3lce s LEU 178 Ca 0.30 2.01 -0.15 0.00 -1.03 0.00 0.00 54.13 55.26 3lce s LEU 178 Cb 0.20 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.95 3lce s LEU 178 CO 0.29 -2.48 1.99 -1.20 0.23 0.00 0.00 176.35 175.18 3lce n SER 179 N -3.74 4.42 -3.83 2.29 7.64 -1.26 -4.79 113.62 114.34 3lce n SER 179 Ca 0.10 -2.90 -0.09 0.00 1.01 0.00 0.00 58.87 56.99 3lce n SER 179 Cb 0.52 -1.66 -0.04 0.00 -1.01 0.00 0.00 64.21 62.02 3lce n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3lce s ALA 180 N 3.08 -0.34 0.56 -0.43 0.00 -1.26 -5.02 121.76 118.35 3lce s ALA 180 Ca 0.48 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 3lce s ALA 180 Cb 0.09 1.02 -0.05 0.00 0.00 0.00 0.00 23.12 24.18 3lce s ALA 180 CO -0.02 -0.89 1.10 -1.54 0.00 0.00 0.00 175.76 174.41 3lce s SER 181 N -3.03 5.75 0.27 0.00 1.04 -1.26 -4.88 113.70 111.59 3lce s SER 181 Ca 0.21 2.05 -0.02 0.00 0.48 0.00 0.00 55.95 58.67 3lce s SER 181 Cb -0.02 -2.57 0.44 0.00 0.10 0.00 0.00 66.02 63.97 3lce s SER 181 CO 0.10 -1.19 1.87 0.50 0.98 0.00 0.00 173.24 175.49 3lce h LYS 182 N 0.98 1.07 -0.41 4.02 3.64 -1.92 -2.26 116.57 121.70 3lce h LYS 182 Ca -0.49 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 58.85 3lce h LYS 182 Cb 1.25 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 3lce h LYS 182 CO 0.57 0.71 0.23 0.93 -2.27 0.00 0.00 179.45 179.62 3lce h GLU 183 N 1.11 0.46 -0.23 1.90 5.08 -1.99 -1.03 114.58 119.87 3lce h GLU 183 Ca 0.44 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.71 3lce h GLU 183 Cb 0.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3lce h GLU 183 CO -0.20 0.30 -0.16 -0.91 -1.00 0.00 0.00 179.01 177.04 3lce h ASN 184 N 0.47 0.39 -0.56 1.42 2.35 -1.86 -0.44 115.58 117.34 3lce h ASN 184 Ca 0.16 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3lce h ASN 184 Cb 0.02 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3lce h ASN 184 CO -0.08 0.57 0.17 1.56 -1.65 0.00 0.00 177.43 178.00 3lce h GLN 185 N 0.37 0.88 -0.35 0.81 4.20 -1.16 -2.14 115.11 117.72 3lce h GLN 185 Ca 0.07 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 3lce h GLN 185 Cb 0.50 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3lce h GLN 185 CO 0.03 0.80 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.66 3lce h LEU 186 N 0.79 0.74 -0.35 1.46 3.38 -0.81 -0.17 115.31 120.34 3lce h LEU 186 Ca 0.18 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3lce h LEU 186 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3lce h LEU 186 CO -0.01 0.97 0.22 0.40 0.09 0.00 0.00 178.44 180.11 3lce h ILE 187 N 0.62 1.11 -0.08 1.22 2.04 -0.95 -1.79 117.51 119.68 3lce h ILE 187 Ca 0.08 -0.24 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 3lce h ILE 187 Cb 0.77 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3lce h ILE 187 CO 0.06 0.11 -0.50 0.58 0.00 0.00 0.00 178.15 178.40 3lce h VAL 188 N 0.46 1.35 -0.19 1.67 2.07 -1.16 -2.53 116.25 117.92 3lce h VAL 188 Ca 0.13 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3lce h VAL 188 Cb -0.01 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3lce h VAL 188 CO -0.02 0.52 0.12 0.11 0.02 0.00 0.00 177.57 178.31 3lce h LYS 189 N 0.17 0.26 -0.82 1.57 1.57 -0.74 -2.32 116.57 116.25 3lce h LYS 189 Ca 0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3lce h LYS 189 Cb 0.95 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 3lce h LYS 189 CO 0.08 0.20 0.50 1.49 -0.57 0.00 0.00 179.45 181.15 3lce h GLU 190 N 0.24 1.11 -0.04 3.15 4.81 -1.22 -1.23 114.58 121.41 3lce h GLU 190 Ca 0.07 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3lce h GLU 190 Cb 0.00 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 3lce h GLU 190 CO -0.01 0.78 0.12 0.00 -0.73 0.00 0.00 179.01 179.17 3lce h ALA 191 N 1.42 1.33 -0.01 2.92 0.00 -1.00 -2.22 119.26 121.70 3lce h ALA 191 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3lce h ALA 191 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3lce h ALA 191 CO -0.06 -0.15 -0.46 1.28 0.00 0.00 0.00 179.25 179.87 3lce n LEU 192 N -3.30 1.21 -4.72 0.00 4.77 -0.47 -4.70 117.00 109.79 3lce n LEU 192 Ca -0.02 -0.39 -0.42 0.00 -0.03 0.00 0.00 56.01 55.16 3lce n LEU 192 Cb 0.20 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3lce n LEU 192 CO 0.21 0.24 1.28 -0.69 -1.33 0.00 0.00 177.39 177.10 3lce s VAL 193 N -2.64 2.37 0.00 4.08 1.01 -0.84 -1.62 120.40 122.76 3lce s VAL 193 Ca 0.18 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3lce s VAL 193 Cb 0.18 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3lce s VAL 193 CO 0.61 0.02 0.00 0.35 0.00 0.00 0.00 175.10 176.08 3lce n THR 194 N 3.82 0.00 -3.68 3.92 -2.24 0.23 -4.91 114.28 111.43 3lce n THR 194 Ca 0.14 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 3lce n THR 194 Cb 0.37 0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 69.50 3lce n THR 194 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3lce s GLU 195 N -0.82 0.40 -0.10 -0.78 2.12 -1.10 -4.97 118.70 113.44 3lce s GLU 195 Ca 0.00 0.93 -0.00 0.00 0.36 0.00 0.00 54.97 56.25 3lce s GLU 195 Cb 0.00 0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.55 3lce s GLU 195 CO 0.00 -0.19 -0.07 0.00 -0.54 0.00 0.00 175.26 174.46 3lce s ALA 196 N 1.87 1.20 0.22 6.30 0.00 -1.26 -0.49 121.76 129.59 3lce s ALA 196 Ca -0.07 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3lce s ALA 196 Cb -0.09 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 3lce s ALA 196 CO -0.14 -0.37 0.00 0.00 0.00 0.00 0.00 175.76 175.26 3lce s ALA 197 N 1.64 1.70 0.51 0.00 0.00 0.42 -5.02 121.76 121.02 3lce s ALA 197 Ca 0.03 -1.73 0.22 0.00 0.00 0.00 0.00 51.96 50.47 3lce s ALA 197 Cb -0.13 0.54 1.30 0.00 0.00 0.00 0.00 23.12 24.84 3lce s ALA 197 CO -0.07 -0.28 2.01 -1.35 0.00 0.00 0.00 175.76 176.08 3lce h PRO 198 N 2.52 0.09 -0.07 0.00 0.11 -2.02 -2.97 132.00 129.65 3lce h PRO 198 Ca -0.38 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.58 3lce h PRO 198 Cb 1.22 -0.02 -0.26 0.00 0.11 0.00 0.00 31.00 32.06 3lce h PRO 198 CO 0.64 0.06 -0.84 -0.85 -0.21 0.00 0.00 178.00 176.79 3lce n GLU 199 N -4.42 0.89 -3.44 1.05 0.00 -1.26 -5.02 120.64 108.44 3lce n GLU 199 Ca 0.08 -2.70 0.01 0.00 0.00 0.00 0.00 57.16 54.55 3lce n GLU 199 Cb 0.49 -0.82 -0.04 0.00 0.00 0.00 0.00 31.44 31.07 3lce n GLU 199 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 3lce s TYR 200 N -1.64 -0.98 -0.05 -1.84 5.04 -1.12 -3.01 117.35 113.75 3lce s TYR 200 Ca 0.36 1.57 0.01 0.00 -2.44 0.00 0.00 57.07 56.56 3lce s TYR 200 Cb 0.38 0.54 0.02 0.00 0.35 0.00 0.00 41.96 43.25 3lce s TYR 200 CO -0.11 -0.50 -0.06 -1.17 -1.34 0.00 0.00 175.55 172.37 3lce s LEU 201 N 2.68 1.34 -0.12 6.97 2.96 -0.45 -0.43 118.68 131.62 3lce s LEU 201 Ca -0.01 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3lce s LEU 201 Cb -0.09 -0.54 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 3lce s LEU 201 CO -0.18 -0.05 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.96 3lce s VAL 202 N 0.97 2.86 -0.12 1.68 1.01 0.35 -0.74 120.40 126.41 3lce s VAL 202 Ca -0.10 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 3lce s VAL 202 Cb -0.14 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3lce s VAL 202 CO 0.00 0.54 -0.09 -1.00 0.00 0.00 0.00 175.10 174.55 3lce s HIS 203 N 0.27 2.91 0.12 5.22 3.76 -0.33 -0.60 115.29 126.63 3lce s HIS 203 Ca -0.11 -0.34 -0.25 0.00 -0.15 0.00 0.00 55.06 54.22 3lce s HIS 203 Cb -0.16 -1.84 0.08 0.00 1.11 0.00 0.00 32.58 31.77 3lce s HIS 203 CO 0.06 -0.00 0.66 -1.54 -0.85 0.00 0.00 174.74 173.07 3lce s SER 204 N 0.02 -0.53 -0.10 1.40 1.04 -0.64 -1.01 113.70 113.87 3lce s SER 204 Ca -0.02 0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.40 3lce s SER 204 Cb -0.14 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.58 3lce s SER 204 CO 0.03 -0.88 0.23 -0.75 0.98 0.00 0.00 173.24 172.85 3lce s LYS 205 N -3.50 0.18 0.54 4.02 2.47 0.10 -4.83 119.74 118.72 3lce s LYS 205 Ca 0.01 0.54 -0.05 0.00 -1.56 0.00 0.00 55.97 54.91 3lce s LYS 205 Cb -0.01 -0.12 -0.01 0.00 -1.46 0.00 0.00 37.83 36.23 3lce s LYS 205 CO -0.11 -0.18 0.83 0.95 0.16 0.00 0.00 175.35 177.00 3lce s THR 206 N 1.43 4.07 -0.02 3.43 -4.23 -1.26 -1.39 115.64 117.68 3lce s THR 206 Ca -0.08 -0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.31 3lce s THR 206 Cb -0.11 -3.58 0.01 0.00 1.34 0.00 0.00 72.50 70.17 3lce s THR 206 CO -0.08 -0.56 0.23 -0.83 -0.54 0.00 0.00 174.62 172.84 3lce s GLY 207 N -4.23 -0.07 -0.26 3.99 0.00 -0.61 -3.37 107.32 102.76 3lce s GLY 207 Ca 0.51 0.18 -0.05 0.00 0.00 0.00 0.00 44.72 45.36 3lce s GLY 207 CO 0.44 0.01 0.51 -0.12 0.00 0.00 0.00 173.10 173.94 3lce s PHE 208 N -1.19 -1.16 -0.74 1.90 5.36 -1.26 -0.41 117.98 120.48 3lce s PHE 208 Ca -0.13 1.60 0.26 0.00 -0.96 0.00 0.00 56.93 57.70 3lce s PHE 208 Cb -0.06 0.43 0.67 0.00 -0.34 0.00 0.00 43.02 43.72 3lce s PHE 208 CO 0.03 -0.69 1.61 -1.13 -1.46 0.00 0.00 175.22 173.57 3lce n SER 209 N 5.41 0.68 0.00 6.13 3.41 0.07 -4.69 113.62 124.63 3lce n SER 209 Ca -0.06 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 3lce n SER 209 Cb 0.50 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3lce n SER 209 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lce n GLY 210 N 1.35 1.02 0.61 5.00 0.00 -1.26 -4.87 105.19 107.04 3lce n GLY 210 Ca 0.05 -2.24 0.13 0.00 0.00 0.00 0.00 46.02 43.96 3lce n GLY 210 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3lce n VAL 211 N -1.21 0.00 -0.80 1.61 0.24 -1.26 -3.73 118.33 113.18 3lce n VAL 211 Ca 0.00 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3lce n VAL 211 Cb 0.00 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 3lce n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lce n GLY 212 N 1.27 2.49 3.45 7.63 0.00 -1.26 -3.46 105.19 115.30 3lce n GLY 212 Ca 0.16 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 3lce n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lce s THR 213 N 0.00 1.56 0.29 2.61 -4.23 -0.11 -4.88 115.64 110.89 3lce s THR 213 Ca 0.00 -2.09 0.03 0.00 -1.18 0.00 0.00 61.69 58.45 3lce s THR 213 Cb 0.00 -2.56 0.29 0.00 1.34 0.00 0.00 72.50 71.57 3lce s THR 213 CO 0.00 -0.22 1.83 -0.33 -0.54 0.00 0.00 174.62 175.37 3lce h GLU 214 N 2.21 0.92 -0.25 3.99 5.08 -1.91 -1.32 114.58 123.30 3lce h GLU 214 Ca -0.40 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 57.74 3lce h GLU 214 Cb 1.24 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3lce h GLU 214 CO 0.69 0.61 -0.49 0.77 -1.00 0.00 0.00 179.01 179.58 3lce h SER 215 N 0.94 0.74 -2.90 1.42 0.02 -1.96 -3.38 113.55 108.42 3lce h SER 215 Ca 0.50 -0.37 -0.61 0.00 -0.84 0.00 0.00 61.79 60.47 3lce h SER 215 Cb 0.55 -0.21 -0.40 0.00 0.14 0.00 0.00 62.40 62.48 3lce h SER 215 CO -0.27 1.10 -0.77 0.20 -1.14 0.00 0.00 176.83 175.96 3lce s ASN 216 N -6.90 3.25 0.90 3.07 0.01 -0.89 -5.13 114.94 109.25 3lce s ASN 216 Ca -0.09 -3.27 -0.12 0.00 -0.71 0.00 0.00 52.86 48.68 3lce s ASN 216 Cb 0.11 -1.03 0.13 0.00 0.41 0.00 0.00 41.25 40.87 3lce s ASN 216 CO 0.85 -0.16 1.09 -2.16 -1.51 0.00 0.00 177.10 175.22 3lce s PRO 217 N -0.45 1.22 0.41 -0.60 0.04 -0.55 -0.93 135.00 134.14 3lce s PRO 217 Ca 0.26 0.79 -0.07 0.00 0.04 0.00 0.00 61.00 62.02 3lce s PRO 217 Cb -0.06 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.77 3lce s PRO 217 CO -0.14 -2.26 0.49 0.41 0.04 0.00 0.00 177.00 175.54 3lce n GLY 218 N -1.17 -1.69 3.09 0.56 0.00 0.46 -4.71 105.19 101.73 3lce n GLY 218 Ca 0.07 -1.62 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 3lce n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lce s VAL 219 N -2.01 0.94 0.13 1.61 0.11 -1.26 -1.63 120.40 118.29 3lce s VAL 219 Ca 0.29 -0.74 0.09 0.00 -2.93 0.00 0.00 61.98 58.69 3lce s VAL 219 Cb -0.01 -0.83 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 3lce s VAL 219 CO 0.21 0.09 -0.22 0.00 -3.33 0.00 0.00 175.10 171.84 3lce s ALA 220 N -0.60 2.07 0.09 1.54 0.00 -0.70 -0.75 121.76 123.42 3lce s ALA 220 Ca 0.02 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.60 3lce s ALA 220 Cb -0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3lce s ALA 220 CO 0.00 0.39 -0.07 -1.58 0.00 0.00 0.00 175.76 174.51 3lce s TRP 221 N -1.35 0.86 -0.06 0.00 0.52 0.45 -1.73 118.94 117.63 3lce s TRP 221 Ca 0.12 -0.86 -0.02 0.00 0.02 0.00 0.00 56.10 55.36 3lce s TRP 221 Cb -0.09 -0.50 0.04 0.00 -1.15 0.00 0.00 33.47 31.77 3lce s TRP 221 CO 0.06 -0.14 0.12 -0.46 0.02 0.00 0.00 176.95 176.54 3lce s TRP 222 N -3.30 -0.10 0.06 -1.98 -0.00 -0.63 -1.57 118.94 111.41 3lce s TRP 222 Ca 0.09 0.41 0.02 0.00 -0.00 0.00 0.00 56.10 56.62 3lce s TRP 222 Cb 0.03 -0.20 -0.03 0.00 -0.00 0.00 0.00 33.47 33.27 3lce s TRP 222 CO -0.04 -0.18 -0.07 0.14 -0.00 0.00 0.00 176.95 176.80 3lce s VAL 223 N 1.50 0.59 -4.20 5.86 -7.23 -0.48 -0.51 120.40 115.93 3lce s VAL 223 Ca -0.05 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 3lce s VAL 223 Cb -0.12 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.79 3lce s VAL 223 CO -0.05 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 174.77 3lce n GLY 224 N 0.88 -0.53 3.33 2.32 0.00 -0.68 0.00 105.19 110.51 3lce n GLY 224 Ca -0.19 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 3lce n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3lce s TRP 225 N -3.69 -0.28 -0.10 1.61 -2.14 -0.18 -1.36 118.94 112.81 3lce s TRP 225 Ca 0.00 0.21 0.03 0.00 2.66 0.00 0.00 56.10 59.01 3lce s TRP 225 Cb 0.00 0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.61 3lce s TRP 225 CO 0.00 -0.60 -0.22 0.08 -2.66 0.00 0.00 176.95 173.56 3lce s VAL 226 N -2.65 1.90 -0.25 -0.66 1.01 0.40 -1.19 120.40 118.97 3lce s VAL 226 Ca -0.04 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 3lce s VAL 226 Cb -0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 3lce s VAL 226 CO -0.04 0.52 0.08 -1.61 0.00 0.00 0.00 175.10 174.05 3lce s GLU 227 N 0.47 3.70 -0.09 2.72 2.02 0.08 -0.98 118.70 126.62 3lce s GLU 227 Ca -0.16 -0.46 -0.01 0.00 0.02 0.00 0.00 54.97 54.36 3lce s GLU 227 Cb -0.17 -3.33 0.03 0.00 0.10 0.00 0.00 34.13 30.75 3lce s GLU 227 CO 0.06 -0.15 -0.03 0.21 0.02 0.00 0.00 175.26 175.37 3lce s LYS 228 N 1.52 1.02 5.13 1.61 2.20 -0.37 -1.34 119.74 129.51 3lce s LYS 228 Ca 0.06 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 3lce s LYS 228 Cb -0.15 -1.24 0.00 0.00 -1.51 0.00 0.00 37.83 34.93 3lce s LYS 228 CO 0.04 -0.28 0.00 0.39 -0.36 0.00 0.00 175.35 175.14 3lce n GLU 229 N 5.04 0.00 -0.73 4.03 1.02 -1.16 -0.51 120.64 128.33 3lce n GLU 229 Ca -0.10 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.12 3lce n GLU 229 Cb 0.50 0.00 0.36 0.00 -0.02 0.00 0.00 31.44 32.28 3lce n GLU 229 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3lce n THR 230 N 0.00 2.43 -4.09 2.62 -2.24 -1.26 -4.96 114.28 106.78 3lce n THR 230 Ca 0.00 -1.46 -0.22 0.00 -2.27 0.00 0.00 64.05 60.10 3lce n THR 230 Cb 0.00 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.02 3lce n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3lce s GLU 231 N -2.55 2.91 0.01 -0.78 2.56 0.34 -5.13 118.70 116.07 3lce s GLU 231 Ca 0.51 -1.07 0.04 0.00 0.00 0.00 0.00 54.97 54.44 3lce s GLU 231 Cb 0.38 -2.56 -0.01 0.00 2.00 0.00 0.00 34.13 33.93 3lce s GLU 231 CO 0.16 0.38 -0.12 0.54 -0.56 0.00 0.00 175.26 175.66 3lce s VAL 232 N -2.15 0.96 -0.09 3.70 0.11 -1.26 -1.24 120.40 120.44 3lce s VAL 232 Ca 0.33 -0.72 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 3lce s VAL 232 Cb -0.08 -0.84 0.02 0.00 -1.53 0.00 0.00 36.38 33.95 3lce s VAL 232 CO 0.25 0.12 -0.09 -0.31 -3.33 0.00 0.00 175.10 171.74 3lce s TYR 233 N -0.55 1.40 -0.02 1.54 1.51 -0.15 0.20 117.35 121.28 3lce s TYR 233 Ca 0.03 -0.61 -0.09 0.00 -1.01 0.00 0.00 57.07 55.38 3lce s TYR 233 Cb -0.06 -1.12 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 3lce s TYR 233 CO 0.00 -0.40 0.28 -0.06 -1.11 0.00 0.00 175.55 174.27 3lce s PHE 234 N 1.25 3.63 0.01 2.71 0.08 0.11 -0.45 117.98 125.32 3lce s PHE 234 Ca -0.04 0.70 -0.04 0.00 0.12 0.00 0.00 56.93 57.67 3lce s PHE 234 Cb -0.14 -2.08 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 3lce s PHE 234 CO -0.03 0.65 0.06 -0.59 -0.10 0.00 0.00 175.22 175.21 3lce s PHE 235 N -1.17 0.14 -0.10 0.36 -0.12 -0.46 -0.30 117.98 116.33 3lce s PHE 235 Ca 0.23 -0.31 -0.05 0.00 -0.05 0.00 0.00 56.93 56.76 3lce s PHE 235 Cb -0.14 -0.11 0.05 0.00 -0.63 0.00 0.00 43.02 42.19 3lce s PHE 235 CO 0.12 -0.24 0.22 0.00 -0.05 0.00 0.00 175.22 175.27 3lce s ALA 236 N -1.40 -0.47 -0.03 1.99 0.00 0.42 -1.69 121.76 120.58 3lce s ALA 236 Ca -0.15 0.90 0.06 0.00 0.00 0.00 0.00 51.96 52.77 3lce s ALA 236 Cb -0.09 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 3lce s ALA 236 CO 0.00 -0.25 -0.21 0.12 0.00 0.00 0.00 175.76 175.42 3lce s PHE 237 N 1.41 1.98 0.06 0.00 5.36 0.33 -0.13 117.98 126.98 3lce s PHE 237 Ca -0.08 -0.47 -0.03 0.00 -0.96 0.00 0.00 56.93 55.39 3lce s PHE 237 Cb -0.11 -1.29 -0.03 0.00 -0.34 0.00 0.00 43.02 41.25 3lce s PHE 237 CO -0.08 -0.11 0.02 0.54 -1.46 0.00 0.00 175.22 174.14 3lce s ASN 238 N -0.29 0.40 0.05 6.13 2.20 -0.57 -1.61 114.94 121.25 3lce s ASN 238 Ca 0.03 -0.91 -0.21 0.00 -0.94 0.00 0.00 52.86 50.83 3lce s ASN 238 Cb -0.10 0.23 0.05 0.00 -2.00 0.00 0.00 41.25 39.42 3lce s ASN 238 CO 0.01 -0.62 0.49 0.00 -2.94 0.00 0.00 177.10 174.03 3lce s MET 239 N -3.85 1.01 0.24 3.55 0.23 -0.70 -0.80 119.30 118.98 3lce s MET 239 Ca 0.06 -0.29 -0.30 0.00 -1.03 0.00 0.00 55.69 54.13 3lce s MET 239 Cb 0.07 0.46 -0.09 0.00 -1.53 0.00 0.00 34.83 33.74 3lce s MET 239 CO -0.10 -0.36 1.04 -0.51 -2.03 0.00 0.00 175.02 173.06 3lce s ASP 240 N -2.02 7.41 -0.03 -1.18 1.01 -0.10 -1.72 116.67 120.05 3lce s ASP 240 Ca -0.05 2.11 -0.01 0.00 0.71 0.00 0.00 52.55 55.31 3lce s ASP 240 Cb -0.01 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.34 3lce s ASP 240 CO -0.02 -0.04 0.04 -0.51 0.21 0.00 0.00 175.17 174.84 3lce s ILE 241 N -0.99 -0.04 0.00 0.77 2.07 -0.64 -4.69 121.20 117.67 3lce s ILE 241 Ca 0.44 0.28 0.00 0.00 -1.41 0.00 0.00 60.65 59.96 3lce s ILE 241 Cb -0.29 -0.14 0.00 0.00 0.13 0.00 0.00 42.46 42.16 3lce s ILE 241 CO 0.36 0.13 0.83 -0.90 -1.91 0.00 0.00 174.94 173.46 3lce n ASP 242 N 4.63 1.62 -3.65 4.50 5.68 -1.26 -0.40 116.55 127.66 3lce n ASP 242 Ca -0.18 -1.68 -0.13 0.00 -0.50 0.00 0.00 54.79 52.29 3lce n ASP 242 Cb 0.50 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.35 3lce n ASP 242 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3lce s ASN 243 N -0.68 0.36 0.62 -1.12 2.47 -1.26 -4.88 114.94 110.45 3lce s ASN 243 Ca 0.00 0.58 0.39 0.00 0.42 0.00 0.00 52.86 54.24 3lce s ASN 243 Cb 0.00 0.73 2.08 0.00 -1.45 0.00 0.00 41.25 42.61 3lce s ASN 243 CO 0.00 -0.24 2.27 -0.08 -3.72 0.00 0.00 177.10 175.33 3lce h GLU 244 N 8.28 0.00 0.00 0.43 4.81 -1.97 -1.43 114.58 124.71 3lce h GLU 244 Ca -0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3lce h GLU 244 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3lce h GLU 244 CO 0.14 0.01 0.00 0.66 -0.73 0.00 0.00 179.01 179.09 3lce h SER 245 N 0.00 0.00 0.34 1.04 4.64 -2.03 -1.98 113.55 115.55 3lce h SER 245 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3lce h SER 245 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3lce h SER 245 CO 0.00 0.00 -0.20 0.29 -0.87 0.00 0.00 176.83 176.05 3lce n LYS 246 N -2.31 0.68 -0.24 4.77 4.76 -0.54 -4.51 118.16 120.76 3lce n LYS 246 Ca 0.02 -0.32 0.05 0.00 -2.87 0.00 0.00 58.31 55.18 3lce n LYS 246 Cb 0.22 -1.49 0.17 0.00 -1.84 0.00 0.00 35.03 32.09 3lce n LYS 246 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3lce h LEU 247 N 0.79 0.03 -2.47 -0.35 5.85 -1.51 -1.88 115.31 115.77 3lce h LEU 247 Ca 0.00 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3lce h LEU 247 Cb 0.44 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3lce h LEU 247 CO 0.00 -0.02 0.14 -0.65 -0.34 0.00 0.00 178.44 177.58 3lce h PRO 248 N 0.28 0.00 0.00 5.25 0.11 -1.84 -1.42 132.00 134.39 3lce h PRO 248 Ca 0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 3lce h PRO 248 Cb 0.67 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 3lce h PRO 248 CO -0.49 0.00 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.19 3lce h LEU 249 N 0.00 0.00 -2.34 2.35 3.38 -1.69 -0.61 115.31 116.41 3lce h LEU 249 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3lce h LEU 249 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3lce h LEU 249 CO -0.00 0.04 -0.03 0.08 0.09 0.00 0.00 178.44 178.62 3lce h ARG 250 N 0.00 0.00 0.00 1.13 0.11 -1.44 -1.88 114.38 112.30 3lce h ARG 250 Ca -0.00 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.78 3lce h ARG 250 Cb 0.13 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.16 3lce h ARG 250 CO 0.01 0.03 -2.13 1.63 0.10 0.00 0.00 179.97 179.60 3lce n LYS 251 N -3.28 0.84 0.01 0.08 5.02 -0.50 -4.27 118.16 116.05 3lce n LYS 251 Ca -0.02 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 3lce n LYS 251 Cb 0.17 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 33.76 3lce n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3lce h SER 252 N 0.00 0.71 0.37 4.39 4.64 -0.87 0.34 113.55 123.12 3lce h SER 252 Ca -0.44 -0.44 -0.02 0.00 -0.47 0.00 0.00 61.79 60.42 3lce h SER 252 Cb 1.80 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 3lce h SER 252 CO -0.04 1.20 -0.18 0.40 -0.87 0.00 0.00 176.83 177.35 3lce h ILE 253 N 0.43 0.64 -0.84 0.95 2.04 -1.60 0.05 117.51 119.18 3lce h ILE 253 Ca -0.03 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.54 3lce h ILE 253 Cb 1.29 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 3lce h ILE 253 CO 0.13 0.06 0.55 -0.65 0.00 0.00 0.00 178.15 178.25 3lce h PRO 254 N -0.68 0.99 -0.70 2.37 0.11 -1.76 -0.91 132.00 131.42 3lce h PRO 254 Ca -0.05 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3lce h PRO 254 Cb 0.48 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 3lce h PRO 254 CO 0.08 0.66 0.39 1.15 -0.21 0.00 0.00 178.00 180.07 3lce h THR 255 N 1.02 1.21 -0.47 -1.15 2.02 -0.71 -0.25 112.91 114.59 3lce h THR 255 Ca 0.34 -0.52 -0.13 0.00 0.77 0.00 0.00 66.41 66.87 3lce h THR 255 Cb 0.06 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3lce h THR 255 CO -0.10 0.23 -0.23 0.11 0.37 0.00 0.00 175.52 175.89 3lce h LYS 256 N 0.96 0.99 -0.16 6.66 1.57 -0.64 0.02 116.57 125.96 3lce h LYS 256 Ca 0.25 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3lce h LYS 256 Cb 0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3lce h LYS 256 CO -0.04 1.11 0.11 0.82 -0.57 0.00 0.00 179.45 180.87 3lce h ILE 257 N 0.84 1.05 -0.17 1.86 2.04 -1.02 -1.05 117.51 121.06 3lce h ILE 257 Ca 0.10 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 3lce h ILE 257 Cb 0.82 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3lce h ILE 257 CO 0.07 0.04 -0.31 0.24 0.00 0.00 0.00 178.15 178.19 3lce h MET 258 N 0.21 0.33 -0.57 2.37 2.86 -0.89 -1.19 114.93 118.06 3lce h MET 258 Ca 0.06 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3lce h MET 258 Cb -0.02 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 3lce h MET 258 CO -0.01 0.61 0.34 0.93 1.06 0.00 0.00 176.91 179.84 3lce h GLU 259 N 0.29 0.77 0.00 1.72 5.08 -0.82 0.80 114.58 122.40 3lce h GLU 259 Ca 0.04 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3lce h GLU 259 Cb 0.70 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3lce h GLU 259 CO 0.05 0.55 -0.18 0.66 -1.00 0.00 0.00 179.01 179.09 3lce h SER 260 N 0.76 0.00 -0.00 1.42 4.64 -0.34 0.01 113.55 120.04 3lce h SER 260 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3lce h SER 260 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3lce h SER 260 CO -0.04 0.18 0.00 -0.62 -0.87 0.00 0.00 176.83 175.48 3lce n GLU 261 N -3.47 1.04 -0.98 4.77 -0.58 -0.53 -4.91 120.64 115.97 3lce n GLU 261 Ca -0.01 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3lce n GLU 261 Cb 0.35 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 3lce n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3lce n GLY 262 N 1.00 0.42 0.11 0.62 0.00 -0.01 -4.88 105.19 102.45 3lce n GLY 262 Ca 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 3lce n GLY 262 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3lce h ILE 263 N 0.00 1.22 -3.82 -0.61 2.04 -1.04 -3.42 117.51 111.88 3lce h ILE 263 Ca 0.00 -2.83 -0.64 0.00 1.00 0.00 0.00 64.86 62.38 3lce h ILE 263 Cb 0.22 2.81 -0.18 0.00 -0.74 0.00 0.00 36.82 38.93 3lce h ILE 263 CO 0.00 0.83 -0.54 -0.63 0.00 0.00 0.00 178.15 177.81 3lce s ILE 264 N -2.62 5.07 0.00 -0.67 1.01 -1.11 -4.97 121.20 117.92 3lce s ILE 264 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.66 3lce s ILE 264 Cb 0.07 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.13 3lce s ILE 264 CO 0.86 0.28 0.00 0.61 0.00 0.00 0.00 174.94 176.69