#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lce n ILE 22 N 0.00 1.00 -4.09 2.46 3.06 -1.26 -4.76 119.36 115.76 3lce n ILE 22 Ca 0.00 -0.25 -0.26 0.00 -2.50 0.00 0.00 62.75 59.74 3lce n ILE 22 Cb 0.00 -1.88 -0.05 0.00 0.54 0.00 0.00 39.64 38.24 3lce n ILE 22 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3lce s THR 23 N 0.00 4.44 -0.16 9.51 -4.23 -0.05 -4.98 115.64 120.18 3lce s THR 23 Ca 0.65 -1.12 -0.11 0.00 -1.18 0.00 0.00 61.69 59.93 3lce s THR 23 Cb -0.52 -3.27 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 3lce s THR 23 CO 0.48 -0.12 0.20 -0.70 -0.54 0.00 0.00 174.62 173.94 3lce s GLU 24 N -3.14 4.06 -0.49 3.99 2.12 -1.26 -1.13 118.70 122.85 3lce s GLU 24 Ca 0.31 -0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.61 3lce s GLU 24 Cb -0.10 -3.37 0.13 0.00 0.26 0.00 0.00 34.13 31.05 3lce s GLU 24 CO 0.23 0.39 0.23 1.21 -0.54 0.00 0.00 175.26 176.78 3lce s ASN 25 N 0.06 4.37 0.46 -1.70 3.84 0.22 -4.88 114.94 117.30 3lce s ASN 25 Ca 0.13 -2.87 0.30 0.00 0.21 0.00 0.00 52.86 50.63 3lce s ASN 25 Cb -0.12 -1.63 1.20 0.00 -0.55 0.00 0.00 41.25 40.15 3lce s ASN 25 CO 0.02 -0.25 1.89 0.71 -2.79 0.00 0.00 177.10 176.67 3lce h THR 26 N 5.67 0.00 0.00 -5.21 1.35 -1.81 -2.58 112.91 110.33 3lce h THR 26 Ca -0.07 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3lce h THR 26 Cb 0.91 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3lce h THR 26 CO 0.66 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.39 3lce n SER 27 N -2.83 0.58 0.14 5.36 3.41 -1.26 -1.18 113.62 117.83 3lce n SER 27 Ca 0.01 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 3lce n SER 27 Cb 0.30 -0.80 0.41 0.00 -0.26 0.00 0.00 64.21 63.85 3lce n SER 27 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3lce h TRP 28 N 0.00 0.00 -0.04 7.33 6.55 -1.83 -3.33 115.95 124.63 3lce h TRP 28 Ca 0.00 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.80 3lce h TRP 28 Cb 0.19 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.48 3lce h TRP 28 CO 0.00 0.00 -0.15 -0.91 -1.05 0.00 0.00 178.44 176.33 3lce h ASN 29 N 0.00 0.06 -0.04 -3.49 2.35 -1.37 -2.26 115.58 110.83 3lce h ASN 29 Ca 0.00 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3lce h ASN 29 Cb 0.68 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 3lce h ASN 29 CO 0.00 0.22 0.07 0.07 -1.65 0.00 0.00 177.43 176.14 3lce h LYS 30 N 0.06 0.00 0.00 0.81 2.10 -1.78 -0.88 116.57 116.87 3lce h LYS 30 Ca 0.01 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.56 3lce h LYS 30 Cb 0.31 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 3lce h LYS 30 CO 0.02 0.00 -0.49 0.93 -2.00 0.00 0.00 179.45 177.91 3lce h GLU 31 N 0.00 0.00 0.00 0.07 4.39 -1.68 -1.65 114.58 115.72 3lce h GLU 31 Ca 0.02 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 3lce h GLU 31 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3lce h GLU 31 CO -0.00 0.49 -0.22 0.74 -1.16 0.00 0.00 179.01 178.86 3lce h PHE 32 N 0.00 0.00 -0.36 4.33 0.04 -1.42 -3.37 116.94 116.15 3lce h PHE 32 Ca -0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 3lce h PHE 32 Cb 1.06 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.19 3lce h PHE 32 CO 0.00 1.03 -0.08 0.66 -0.60 0.00 0.00 178.31 179.32 3lce h SER 33 N -1.00 0.59 -0.42 2.17 4.64 -1.26 -0.04 113.55 118.22 3lce h SER 33 Ca -0.06 -0.15 0.12 0.00 -0.47 0.00 0.00 61.79 61.24 3lce h SER 33 Cb 1.00 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 3lce h SER 33 CO -0.04 0.71 0.47 0.00 -0.87 0.00 0.00 176.83 177.11 3lce h ALA 34 N 1.35 2.12 -0.18 5.18 0.00 -1.47 0.36 119.26 126.62 3lce h ALA 34 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3lce h ALA 34 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3lce h ALA 34 CO 0.03 -0.69 0.00 0.39 0.00 0.00 0.00 179.25 178.98 3lce n GLU 35 N -3.66 2.75 -4.09 0.00 -0.58 -0.11 -4.98 120.64 109.98 3lce n GLU 35 Ca 0.08 -2.04 -0.31 0.00 -0.42 0.00 0.00 57.16 54.47 3lce n GLU 35 Cb 0.65 -1.29 -0.02 0.00 -0.57 0.00 0.00 31.44 30.21 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 -0.18 -1.61 -2.48 0.62 0.00 0.11 -4.98 120.51 112.00 3lce n ALA 36 Ca 0.10 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 3lce n ALA 36 Cb 0.46 -2.62 -0.12 0.00 0.00 0.00 0.00 19.45 17.16 3lce n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3lce s VAL 37 N -3.61 2.86 -0.21 0.00 -7.23 -0.72 -5.01 120.40 106.48 3lce s VAL 37 Ca 0.40 -1.34 -0.10 0.00 -1.81 0.00 0.00 61.98 59.13 3lce s VAL 37 Cb -0.21 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 3lce s VAL 37 CO 0.91 0.21 0.13 0.20 -0.31 0.00 0.00 175.10 176.24 3lce s ASN 38 N -1.83 6.13 -0.01 4.85 0.01 -1.26 -4.33 114.94 118.50 3lce s ASN 38 Ca 0.17 0.18 -0.27 0.00 -0.71 0.00 0.00 52.86 52.22 3lce s ASN 38 Cb -0.11 -2.08 0.09 0.00 0.41 0.00 0.00 41.25 39.56 3lce s ASN 38 CO 0.08 0.14 1.24 0.61 -1.51 0.00 0.00 177.10 177.66 3lce n GLY 39 N 3.78 0.24 3.03 0.66 0.00 -1.26 -1.06 105.19 110.58 3lce n GLY 39 Ca -0.16 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.02 0.06 -0.07 1.61 0.11 0.50 -4.89 120.40 115.69 3lce s VAL 40 Ca 0.29 -0.53 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 3lce s VAL 40 Cb -0.01 -0.30 0.01 0.00 -1.53 0.00 0.00 36.38 34.55 3lce s VAL 40 CO -0.00 -0.29 -0.17 0.12 -3.33 0.00 0.00 175.10 171.43 3lce s PHE 41 N -0.94 1.84 -0.11 1.54 5.36 -1.26 -1.62 117.98 122.78 3lce s PHE 41 Ca -0.10 -0.69 0.03 0.00 -0.96 0.00 0.00 56.93 55.21 3lce s PHE 41 Cb -0.06 -1.28 -0.00 0.00 -0.34 0.00 0.00 43.02 41.34 3lce s PHE 41 CO 0.00 -0.30 -0.22 0.08 -1.46 0.00 0.00 175.22 173.32 3lce s VAL 42 N 0.46 2.21 -0.04 3.12 1.01 -0.12 -3.06 120.40 123.98 3lce s VAL 42 Ca -0.14 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 3lce s VAL 42 Cb -0.16 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.39 3lce s VAL 42 CO 0.05 0.55 0.03 -0.22 0.00 0.00 0.00 175.10 175.51 3lce s LEU 43 N 0.43 0.71 -0.12 3.92 2.96 -0.45 -0.79 118.68 125.34 3lce s LEU 43 Ca -0.16 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3lce s LEU 43 Cb -0.17 -0.20 0.02 0.00 0.50 0.00 0.00 46.19 46.34 3lce s LEU 43 CO 0.07 -0.17 -0.15 0.00 -1.32 0.00 0.00 176.35 174.78 3lce s LYS 45 N 1.16 4.28 0.00 0.00 2.20 -1.09 -0.67 119.74 125.62 3lce s LYS 45 Ca -0.03 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 3lce s LYS 45 Cb -0.14 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 3lce s LYS 45 CO -0.04 0.01 0.00 0.45 -0.36 0.00 0.00 175.35 175.40 3lce n SER 46 N 4.20 0.00 -3.25 1.43 2.88 0.78 -4.57 113.62 115.09 3lce n SER 46 Ca -0.05 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.41 3lce n SER 46 Cb 0.51 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.98 3lce n SER 46 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3lce s SER 47 N 0.00 -0.08 0.00 -3.46 1.04 -1.26 -4.89 113.70 105.04 3lce s SER 47 Ca 0.00 -0.94 0.18 0.00 0.48 0.00 0.00 55.95 55.67 3lce s SER 47 Cb 0.00 0.78 1.07 0.00 0.10 0.00 0.00 66.02 67.97 3lce s SER 47 CO 0.00 -1.52 1.50 -1.54 0.98 0.00 0.00 173.24 172.65 3lce n SER 48 N -1.09 0.00 -0.04 7.02 3.41 -1.26 -2.39 113.62 119.27 3lce n SER 48 Ca -0.07 -0.79 0.14 0.00 -0.26 0.00 0.00 58.87 57.90 3lce n SER 48 Cb 0.60 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.23 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 -0.92 0.48 -3.22 4.33 4.76 -1.26 -4.38 118.16 117.96 3lce n LYS 49 Ca 0.13 -0.08 -0.24 0.00 -2.87 0.00 0.00 58.31 55.26 3lce n LYS 49 Cb 0.06 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.69 3lce n LYS 49 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3lce n SER 50 N -1.19 1.36 -4.76 4.39 7.64 -1.01 -3.14 113.62 116.92 3lce n SER 50 Ca 0.14 -2.98 -0.29 0.00 1.01 0.00 0.00 58.87 56.74 3lce n SER 50 Cb 0.26 -0.64 -0.07 0.00 -1.01 0.00 0.00 64.21 62.76 3lce n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3lce s ALA 52 N -1.46 0.77 0.05 0.00 0.00 -0.21 -0.87 121.76 120.04 3lce s ALA 52 Ca 0.29 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 51.29 3lce s ALA 52 Cb -0.12 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3lce s ALA 52 CO 0.21 0.05 0.29 -0.08 0.00 0.00 0.00 175.76 176.23 3lce s THR 53 N -1.31 0.09 0.03 0.00 -1.32 -0.28 -1.34 115.64 111.51 3lce s THR 53 Ca -0.07 -0.74 0.27 0.00 -1.21 0.00 0.00 61.69 59.94 3lce s THR 53 Cb -0.10 -0.99 0.30 0.00 -1.51 0.00 0.00 72.50 70.20 3lce s THR 53 CO 0.01 -0.41 1.84 -0.55 -2.21 0.00 0.00 174.62 173.30 3lce h ASN 54 N 3.13 0.00 -1.96 8.08 -1.07 -1.70 0.62 115.58 122.69 3lce h ASN 54 Ca -0.32 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 55.76 3lce h ASN 54 Cb 1.20 0.00 -0.31 0.00 -2.07 0.00 0.00 38.32 37.14 3lce h ASN 54 CO 0.47 0.12 -0.61 -0.62 0.07 0.00 0.00 177.43 176.86 3lce s ASP 55 N -6.02 1.14 0.35 6.14 -1.08 -1.26 -4.50 116.67 111.46 3lce s ASP 55 Ca 0.02 -0.82 0.04 0.00 -0.52 0.00 0.00 52.55 51.27 3lce s ASP 55 Cb 0.09 0.72 0.66 0.00 -1.46 0.00 0.00 42.92 42.92 3lce s ASP 55 CO 0.61 -0.35 1.96 -0.07 0.52 0.00 0.00 175.17 177.84 3lce h LEU 56 N 7.96 0.58 -0.05 -1.34 3.38 -1.94 0.57 115.31 124.48 3lce h LEU 56 Ca -0.08 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3lce h LEU 56 Cb 1.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3lce h LEU 56 CO 0.28 0.51 -0.29 0.00 0.09 0.00 0.00 178.44 179.04 3lce h ALA 57 N 1.58 0.10 0.00 1.53 0.00 -2.00 -3.07 119.26 117.40 3lce h ALA 57 Ca 0.16 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3lce h ALA 57 Cb 0.10 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3lce h ALA 57 CO -0.02 0.14 -0.05 -0.09 0.00 0.00 0.00 179.25 179.23 3lce h ARG 58 N -0.25 0.00 0.00 0.00 2.43 -1.87 -2.79 114.38 111.90 3lce h ARG 58 Ca -0.02 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3lce h ARG 58 Cb 0.95 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3lce h ARG 58 CO 0.06 0.05 -0.15 0.00 -1.51 0.00 0.00 179.97 178.42 3lce h ALA 59 N 1.95 1.59 -0.02 2.80 0.00 -0.79 -2.28 119.26 122.51 3lce h ALA 59 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3lce h ALA 59 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3lce h ALA 59 CO 0.01 0.19 -0.10 -1.13 0.00 0.00 0.00 179.25 178.22 3lce n SER 60 N -4.13 2.45 -4.77 0.00 3.41 -1.07 -2.27 113.62 107.24 3lce n SER 60 Ca -0.02 -1.72 -0.38 0.00 -0.26 0.00 0.00 58.87 56.48 3lce n SER 60 Cb 0.23 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 3lce n SER 60 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3lce s LYS 61 N -1.77 4.18 -0.15 4.33 1.02 -0.86 -4.77 119.74 121.72 3lce s LYS 61 Ca 0.21 1.75 -0.05 0.00 0.02 0.00 0.00 55.97 57.90 3lce s LYS 61 Cb 0.16 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 3lce s LYS 61 CO 0.30 -0.19 0.04 -1.21 -0.92 0.00 0.00 175.35 173.37 3lce s GLU 62 N -2.21 3.65 0.15 1.68 2.02 -1.26 -3.96 118.70 118.77 3lce s GLU 62 Ca 0.55 -0.37 0.07 0.00 0.02 0.00 0.00 54.97 55.24 3lce s GLU 62 Cb -0.29 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 3lce s GLU 62 CO 0.36 0.41 -0.14 0.71 0.02 0.00 0.00 175.26 176.62 3lce s TYR 63 N -0.04 1.54 0.16 1.61 2.02 0.52 -4.58 117.35 118.57 3lce s TYR 63 Ca 0.05 -0.57 -0.34 0.00 -0.37 0.00 0.00 57.07 55.84 3lce s TYR 63 Cb -0.12 -0.77 -0.15 0.00 -0.40 0.00 0.00 41.96 40.52 3lce s TYR 63 CO 0.01 0.22 1.45 -0.11 -1.57 0.00 0.00 175.55 175.56 3lce n LEU 64 N 0.15 2.59 0.16 -1.29 7.94 -1.25 -0.51 117.00 124.78 3lce n LEU 64 Ca -0.12 1.11 0.13 0.00 -1.11 0.00 0.00 56.01 56.02 3lce n LEU 64 Cb 0.58 -1.35 0.40 0.00 0.53 0.00 0.00 43.42 43.59 3lce n LEU 64 CO 0.30 -0.60 0.88 1.55 -1.11 0.00 0.00 177.39 178.41 3lce h PRO 65 N 5.08 0.00 0.00 1.96 0.13 -1.75 -3.46 132.00 133.96 3lce h PRO 65 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3lce h PRO 65 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3lce h PRO 65 CO 0.82 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.59 3lce n ALA 66 N -1.90 0.00 0.24 -0.56 0.00 -0.70 -1.83 120.51 115.75 3lce n ALA 66 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.51 3lce n ALA 66 Cb 0.40 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.79 0.00 0.21 0.00 7.64 -1.26 -1.62 113.62 116.80 3lce n SER 67 Ca 0.00 0.31 0.15 0.00 1.01 0.00 0.00 58.87 60.34 3lce n SER 67 Cb 0.00 -0.36 0.67 0.00 -1.01 0.00 0.00 64.21 63.51 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 -1.40 -3.40 112.91 109.89 3lce h THR 68 Ca 0.00 -0.26 -0.51 0.00 -0.55 0.00 0.00 66.41 65.09 3lce h THR 68 Cb 0.07 1.08 0.04 0.00 -1.73 0.00 0.00 68.15 67.61 3lce h THR 68 CO 0.00 0.00 2.31 0.33 -0.25 0.00 0.00 175.52 177.91 3lce n PHE 69 N -2.65 1.49 0.00 4.73 7.35 -0.64 -4.47 117.46 123.28 3lce n PHE 69 Ca 0.00 -1.74 0.00 0.00 -0.76 0.00 0.00 57.45 54.96 3lce n PHE 69 Cb 0.20 -1.59 0.00 0.00 0.35 0.00 0.00 39.48 38.45 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 5.30 0.00 -0.14 -2.13 5.41 -1.26 -1.72 119.36 124.83 3lce n ILE 71 Ca 0.45 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.20 3lce n ILE 71 Cb 0.28 0.00 0.27 0.00 -0.71 0.00 0.00 39.64 39.48 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 0.83 -0.56 0.38 0.13 -1.98 -2.48 132.00 128.32 3lce h PRO 72 Ca 0.00 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 3lce h PRO 72 Cb 0.00 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 30.93 3lce h PRO 72 CO 0.00 0.61 0.33 -0.97 -0.23 0.00 0.00 178.00 177.74 3lce h ASN 73 N 0.84 0.68 -0.25 1.44 -0.00 -1.70 -0.27 115.58 116.33 3lce h ASN 73 Ca 0.21 -0.07 0.01 0.00 -0.00 0.00 0.00 56.30 56.46 3lce h ASN 73 Cb 0.03 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.16 3lce h ASN 73 CO -0.03 0.55 0.14 0.00 -0.00 0.00 0.00 177.43 178.08 3lce h ALA 74 N 1.16 0.31 -0.60 1.57 0.00 -1.75 0.18 119.26 120.12 3lce h ALA 74 Ca 0.20 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3lce h ALA 74 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3lce h ALA 74 CO -0.04 -0.26 0.33 0.82 0.00 0.00 0.00 179.25 180.11 3lce h ILE 75 N 0.29 0.97 -0.56 0.00 2.04 -1.06 -0.77 117.51 118.42 3lce h ILE 75 Ca 0.10 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 3lce h ILE 75 Cb 0.01 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3lce h ILE 75 CO -0.05 0.11 -0.08 0.40 0.00 0.00 0.00 178.15 178.53 3lce h ILE 76 N 0.62 1.27 -0.71 -0.67 2.04 -0.83 0.23 117.51 119.46 3lce h ILE 76 Ca 0.27 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.92 3lce h ILE 76 Cb 0.15 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3lce h ILE 76 CO -0.17 0.44 0.44 1.23 0.00 0.00 0.00 178.15 180.10 3lce h GLY 77 N 0.92 1.03 0.67 5.37 0.00 -0.25 -0.00 103.07 110.81 3lce h GLY 77 Ca 0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3lce h GLY 77 CO 0.04 0.28 -0.03 1.41 0.00 0.00 0.00 176.54 178.24 3lce h LEU 78 N 0.86 -0.08 -0.74 3.11 3.38 -0.75 0.17 115.31 121.27 3lce h LEU 78 Ca 0.29 -0.29 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3lce h LEU 78 Cb 0.03 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 3lce h LEU 78 CO -0.12 0.25 0.36 -0.33 0.09 0.00 0.00 178.44 178.70 3lce h GLU 79 N -0.42 0.57 0.00 1.13 4.39 -0.27 -1.93 114.58 118.05 3lce h GLU 79 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3lce h GLU 79 Cb 0.37 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3lce h GLU 79 CO 0.02 0.38 0.00 0.25 -1.16 0.00 0.00 179.01 178.49 3lce n THR 80 N -4.88 0.54 -0.81 1.13 -2.24 -0.04 -4.91 114.28 103.06 3lce n THR 80 Ca 0.12 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3lce n THR 80 Cb 0.31 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 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 1.10 0.89 0.37 3.38 0.00 -0.73 -4.89 105.19 105.31 3lce n GLY 81 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 1.04 -3.87 1.61 2.07 -1.55 -3.36 116.25 112.19 3lce h VAL 82 Ca 0.00 -0.36 -0.64 0.00 0.82 0.00 0.00 66.70 66.52 3lce h VAL 82 Cb 0.00 -0.11 -0.17 0.00 -1.52 0.00 0.00 31.29 29.49 3lce h VAL 82 CO 0.00 0.19 -0.50 -0.63 0.02 0.00 0.00 177.57 176.65 3lce s ILE 83 N -5.95 5.30 0.04 4.57 1.01 0.51 -4.99 121.20 121.70 3lce s ILE 83 Ca -0.12 0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.50 3lce s ILE 83 Cb 0.20 -3.54 -0.16 0.00 0.01 0.00 0.00 42.46 38.97 3lce s ILE 83 CO 0.81 0.25 1.47 0.50 0.00 0.00 0.00 174.94 177.97 3lce h LYS 84 N 8.30 0.09 0.00 2.79 3.64 -1.86 -3.39 116.57 126.14 3lce h LYS 84 Ca -0.35 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.01 3lce h LYS 84 Cb 1.19 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3lce h LYS 84 CO 0.56 0.36 0.08 0.27 -2.27 0.00 0.00 179.45 178.45 3lce n ASN 85 N -4.89 -0.44 0.23 4.20 0.23 -1.26 -4.99 115.26 108.34 3lce n ASN 85 Ca -0.07 -1.28 0.07 0.00 -0.53 0.00 0.00 54.58 52.76 3lce n ASN 85 Cb 0.18 0.73 0.55 0.00 -2.08 0.00 0.00 39.78 39.16 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 -0.44 -3.83 4.11 -1.99 -1.72 114.58 110.71 3lce h GLU 86 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3lce h GLU 86 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3lce h GLU 86 CO 0.08 0.17 0.00 0.72 0.07 0.00 0.00 179.01 180.05 3lce n HIS 87 N -4.21 0.58 -1.60 2.06 8.25 -1.26 -4.60 115.22 114.44 3lce n HIS 87 Ca -0.02 -0.29 -0.47 0.00 -0.26 0.00 0.00 57.72 56.68 3lce n HIS 87 Cb 0.24 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 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 0.87 1.39 -4.17 -0.41 7.27 -0.65 -4.94 117.38 116.73 3lce n GLN 88 Ca 0.16 0.49 -0.35 0.00 0.07 0.00 0.00 57.00 57.37 3lce n GLN 88 Cb 0.41 -1.98 -0.09 0.00 2.41 0.00 0.00 30.24 30.98 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 -0.42 4.63 -0.40 1.69 1.01 -1.26 -3.75 120.40 121.90 3lce s VAL 89 Ca 0.68 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 3lce s VAL 89 Cb -0.77 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 32.63 3lce s VAL 89 CO 0.54 0.55 0.25 -0.36 0.00 0.00 0.00 175.10 176.08 3lce s PHE 90 N -0.37 3.25 0.08 5.22 0.08 0.19 -4.91 117.98 121.52 3lce s PHE 90 Ca 0.08 -0.89 -0.28 0.00 0.12 0.00 0.00 56.93 55.97 3lce s PHE 90 Cb -0.12 -2.57 -0.06 0.00 -0.57 0.00 0.00 43.02 39.71 3lce s PHE 90 CO 0.02 -0.66 0.88 0.15 -0.10 0.00 0.00 175.22 175.51 3lce s LYS 91 N 1.59 4.61 -0.10 0.44 1.02 -1.26 -0.93 119.74 125.10 3lce s LYS 91 Ca 0.03 1.28 -0.29 0.00 0.02 0.00 0.00 55.97 57.01 3lce s LYS 91 Cb -0.20 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.73 3lce s LYS 91 CO 0.07 0.25 0.99 -0.46 -0.92 0.00 0.00 175.35 175.28 3lce s TRP 92 N -0.04 3.52 -2.00 3.18 -0.00 -1.26 -4.89 118.94 117.46 3lce s TRP 92 Ca 0.43 1.57 0.27 0.00 -0.00 0.00 0.00 56.10 58.38 3lce s TRP 92 Cb -0.22 -3.17 1.61 0.00 -0.00 0.00 0.00 33.47 31.70 3lce s TRP 92 CO 0.27 -0.21 2.02 -0.40 -0.00 0.00 0.00 176.95 178.63 3lce n ASP 93 N 4.94 0.00 0.00 5.86 5.68 -1.26 -4.85 116.55 126.91 3lce n ASP 93 Ca 0.08 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.27 3lce n ASP 93 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 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 0.88 2.15 3.83 6.12 0.00 -1.26 -5.05 105.19 111.87 3lce n GLY 94 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.83 4.10 0.57 1.61 1.02 -1.26 -4.98 119.74 119.98 3lce s LYS 95 Ca 0.00 1.00 -0.19 0.00 0.02 0.00 0.00 55.97 56.80 3lce s LYS 95 Cb 0.00 -2.20 -0.05 0.00 -0.52 0.00 0.00 37.83 35.07 3lce s LYS 95 CO 0.00 -0.09 1.15 -2.14 -0.92 0.00 0.00 175.35 173.35 3lce s PRO 96 N -3.47 3.19 0.09 -1.68 0.02 -1.26 -5.02 135.00 126.87 3lce s PRO 96 Ca 0.60 1.64 0.03 0.00 0.02 0.00 0.00 61.00 63.30 3lce s PRO 96 Cb -0.09 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 3lce s PRO 96 CO 0.20 -0.99 -0.10 1.03 -0.33 0.00 0.00 177.00 176.81 3lce s ARG 97 N -3.39 0.82 0.48 5.54 0.52 -1.26 -5.04 118.95 116.62 3lce s ARG 97 Ca 0.73 -1.13 0.32 0.00 -0.52 0.00 0.00 55.73 55.13 3lce s ARG 97 Cb -0.25 -0.50 1.42 0.00 0.52 0.00 0.00 34.95 36.14 3lce s ARG 97 CO 0.30 0.08 1.73 0.00 0.02 0.00 0.00 175.30 177.43 3lce h ALA 98 N 3.62 2.87 -3.63 2.13 0.00 -1.98 -3.40 119.26 118.86 3lce h ALA 98 Ca -0.37 0.02 -0.50 0.00 0.00 0.00 0.00 54.91 54.06 3lce h ALA 98 Cb 1.19 0.10 -0.32 0.00 0.00 0.00 0.00 17.79 18.76 3lce h ALA 98 CO 0.52 -1.31 -0.81 -1.64 0.00 0.00 0.00 179.25 176.01 3lce s MET 99 N -5.17 1.49 0.39 0.00 -1.94 -1.26 -4.99 119.30 107.82 3lce s MET 99 Ca -0.07 -0.41 0.15 0.00 -1.71 0.00 0.00 55.69 53.65 3lce s MET 99 Cb 0.26 -1.28 1.02 0.00 2.01 0.00 0.00 34.83 36.83 3lce s MET 99 CO 0.82 0.09 1.83 -0.22 -0.01 0.00 0.00 175.02 177.53 3lce h LYS 100 N 6.67 0.46 0.00 2.03 1.63 -1.97 0.48 116.57 125.87 3lce h LYS 100 Ca -0.32 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.44 3lce h LYS 100 Cb 1.18 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.70 3lce h LYS 100 CO 0.48 0.31 -0.03 0.37 -3.45 0.00 0.00 179.45 177.13 3lce h GLN 101 N 0.48 0.00 -0.00 1.90 4.15 -1.95 0.08 115.11 119.76 3lce h GLN 101 Ca 0.51 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.93 3lce h GLN 101 Cb 1.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3lce h GLN 101 CO -0.23 0.03 -0.37 0.91 -1.93 0.00 0.00 178.83 177.24 3lce n TRP 102 N -3.54 0.00 -2.18 3.99 8.01 0.17 -4.59 117.44 119.28 3lce n TRP 102 Ca -0.03 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.76 3lce n TRP 102 Cb 0.13 -0.24 0.00 0.00 -2.01 0.00 0.00 31.31 29.19 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 -1.27 4.40 -3.56 -0.99 1.02 0.01 -4.82 120.64 115.43 3lce n GLU 103 Ca 0.08 -3.63 -0.06 0.00 -0.02 0.00 0.00 57.16 53.53 3lce n GLU 103 Cb 0.33 -2.69 -0.02 0.00 -0.02 0.00 0.00 31.44 29.04 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 -1.08 0.49 0.59 3.49 1.70 -1.26 -5.04 118.95 117.84 3lce s ARG 104 Ca 0.48 -0.15 -0.19 0.00 -0.47 0.00 0.00 55.73 55.40 3lce s ARG 104 Cb 0.15 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 3lce s ARG 104 CO -0.06 -0.21 1.18 -0.51 -1.08 0.00 0.00 175.30 174.62 3lce s ASP 105 N -2.15 5.26 -0.01 -2.89 1.01 -1.26 -4.12 116.67 112.51 3lce s ASP 105 Ca 0.07 2.31 -0.03 0.00 0.71 0.00 0.00 52.55 55.61 3lce s ASP 105 Cb -0.01 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.33 3lce s ASP 105 CO -0.06 -1.54 0.07 -0.76 0.21 0.00 0.00 175.17 173.09 3lce s LEU 106 N -4.10 1.80 0.92 1.23 1.43 -0.11 -4.92 118.68 114.93 3lce s LEU 106 Ca 0.76 -0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 53.63 3lce s LEU 106 Cb -0.28 0.32 0.18 0.00 0.03 0.00 0.00 46.19 46.43 3lce s LEU 106 CO 0.33 -0.17 1.27 0.42 0.23 0.00 0.00 176.35 178.43 3lce s THR 107 N -0.65 2.02 0.16 5.49 -4.23 -1.26 0.55 115.64 117.71 3lce s THR 107 Ca -0.07 -0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.27 3lce s THR 107 Cb -0.04 -2.97 0.05 0.00 1.34 0.00 0.00 72.50 70.88 3lce s THR 107 CO 0.00 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 176.00 3lce h LEU 108 N -1.46 0.85 -0.47 4.79 5.85 -1.81 -0.23 115.31 122.83 3lce h LEU 108 Ca -0.44 -0.23 -0.14 0.00 0.84 0.00 0.00 57.88 57.90 3lce h LEU 108 Cb 1.25 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3lce h LEU 108 CO 0.43 0.87 -0.30 -0.09 -0.34 0.00 0.00 178.44 179.00 3lce h ARG 109 N 0.80 0.93 -0.67 1.25 2.43 -1.90 -2.14 114.38 115.09 3lce h ARG 109 Ca 0.18 -0.44 -0.07 0.00 -0.81 0.00 0.00 59.98 58.83 3lce h ARG 109 Cb 0.35 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3lce h ARG 109 CO 0.00 1.10 0.14 0.78 -1.51 0.00 0.00 179.97 180.49 3lce h GLY 110 N 0.85 1.16 1.34 2.80 0.00 -1.82 -0.49 103.07 106.91 3lce h GLY 110 Ca 0.08 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 3lce h GLY 110 CO 0.08 0.68 -0.06 0.00 0.00 0.00 0.00 176.54 177.24 3lce h ALA 111 N 1.13 1.04 0.03 3.60 0.00 -0.93 -0.72 119.26 123.41 3lce h ALA 111 Ca 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3lce h ALA 111 Cb 0.38 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3lce h ALA 111 CO 0.01 0.59 -0.01 0.82 0.00 0.00 0.00 179.25 180.65 3lce h ILE 112 N 0.73 1.29 -0.82 0.00 2.04 -1.24 0.15 117.51 119.67 3lce h ILE 112 Ca 0.13 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 3lce h ILE 112 Cb 0.53 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 3lce h ILE 112 CO 0.03 0.27 0.40 1.56 0.00 0.00 0.00 178.15 180.41 3lce h GLN 113 N -0.50 1.17 -0.13 2.37 1.08 -0.94 -0.35 115.11 117.82 3lce h GLN 113 Ca -0.00 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 3lce h GLN 113 Cb 0.47 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3lce h GLN 113 CO 0.01 0.90 0.00 1.33 -0.95 0.00 0.00 178.83 180.11 3lce n VAL 114 N -4.31 0.15 -3.48 -0.54 0.24 -0.29 -4.96 118.33 105.13 3lce n VAL 114 Ca 0.08 -0.35 -0.20 0.00 -2.04 0.00 0.00 64.34 61.83 3lce n VAL 114 Cb 0.14 0.52 0.06 0.00 -1.47 0.00 0.00 33.84 33.09 3lce n VAL 114 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3lce n SER 115 N 0.42 -3.92 -4.52 -1.34 2.88 -0.14 -4.85 113.62 102.14 3lce n SER 115 Ca 0.17 -0.77 -0.42 0.00 -1.33 0.00 0.00 58.87 56.52 3lce n SER 115 Cb 0.37 -4.59 -0.03 0.00 -0.75 0.00 0.00 64.21 59.22 3lce n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lce s ALA 116 N -3.47 2.92 0.26 -1.46 0.00 0.44 -4.86 121.76 115.59 3lce s ALA 116 Ca 0.24 -2.39 -0.01 0.00 0.00 0.00 0.00 51.96 49.80 3lce s ALA 116 Cb -0.05 -4.36 0.57 0.00 0.00 0.00 0.00 23.12 19.28 3lce s ALA 116 CO 0.78 -3.40 1.70 0.28 0.00 0.00 0.00 175.76 175.11 3lce h VAL 117 N 6.47 0.52 0.00 0.00 2.07 -1.88 -2.23 116.25 121.20 3lce h VAL 117 Ca 0.17 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3lce h VAL 117 Cb 1.02 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3lce h VAL 117 CO 1.32 0.06 -0.25 1.55 0.02 0.00 0.00 177.57 180.28 3lce h PRO 118 N 0.36 0.00 -0.45 1.57 0.13 -2.00 0.18 132.00 131.79 3lce h PRO 118 Ca 0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.46 3lce h PRO 118 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 3lce h PRO 118 CO -0.50 0.25 -0.28 0.28 -0.23 0.00 0.00 178.00 177.52 3lce h VAL 119 N 0.00 1.27 0.00 1.56 2.07 -1.82 -2.68 116.25 116.65 3lce h VAL 119 Ca -0.00 -1.45 -0.11 0.00 0.82 0.00 0.00 66.70 65.96 3lce h VAL 119 Cb 0.49 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3lce h VAL 119 CO 0.03 0.49 -0.51 -0.26 0.02 0.00 0.00 177.57 177.34 3lce h PHE 120 N 0.83 0.00 -0.77 1.57 -1.00 -1.16 -1.68 116.94 114.73 3lce h PHE 120 Ca 0.09 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.84 3lce h PHE 120 Cb 0.86 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.39 3lce h PHE 120 CO 0.06 0.51 0.35 1.96 -1.61 0.00 0.00 178.31 179.58 3lce h GLN 121 N 0.00 1.12 -0.16 1.51 4.20 -0.64 -0.72 115.11 120.42 3lce h GLN 121 Ca -0.01 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.44 3lce h GLN 121 Cb 1.37 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.95 3lce h GLN 121 CO 0.07 0.88 -0.26 0.37 -0.67 0.00 0.00 178.83 179.22 3lce h GLN 122 N 1.11 0.46 -0.79 1.46 5.75 -1.32 -1.08 115.11 120.70 3lce h GLN 122 Ca 0.26 -0.28 0.13 0.00 -0.15 0.00 0.00 58.65 58.61 3lce h GLN 122 Cb 0.15 0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.64 3lce h GLN 122 CO -0.03 0.87 0.38 0.82 -2.65 0.00 0.00 178.83 178.22 3lce h ILE 123 N 0.08 0.75 -0.49 2.39 2.04 -1.22 -1.84 117.51 119.22 3lce h ILE 123 Ca 0.01 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 3lce h ILE 123 Cb 0.83 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3lce h ILE 123 CO 0.06 0.11 0.02 0.00 0.00 0.00 0.00 178.15 178.33 3lce h ALA 124 N 1.52 0.65 -0.64 1.87 0.00 -0.86 -0.72 119.26 121.08 3lce h ALA 124 Ca 0.42 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3lce h ALA 124 Cb 0.55 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3lce h ALA 124 CO -0.34 0.44 0.42 0.00 0.00 0.00 0.00 179.25 179.77 3lce h ARG 125 N 0.71 0.84 -0.24 0.00 3.08 -0.88 -0.61 114.38 117.29 3lce h ARG 125 Ca 0.14 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 3lce h ARG 125 Cb 0.48 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3lce h ARG 125 CO 0.02 0.55 -0.17 0.93 -1.07 0.00 0.00 179.97 180.23 3lce h GLU 126 N 0.86 0.41 -0.02 0.04 5.08 -1.03 -2.82 114.58 117.10 3lce h GLU 126 Ca 0.24 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3lce h GLU 126 Cb -0.09 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3lce h GLU 126 CO -0.06 0.57 -0.01 0.28 -1.00 0.00 0.00 179.01 178.80 3lce h VAL 127 N 0.37 1.29 0.00 3.13 2.07 -0.73 -3.50 116.25 118.89 3lce h VAL 127 Ca 0.07 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3lce h VAL 127 Cb 0.52 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3lce h VAL 127 CO 0.03 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.47 3lce n GLY 128 N -0.11 -1.78 0.30 2.17 0.00 -0.27 -4.47 105.19 101.03 3lce n GLY 128 Ca -0.08 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 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 1.04 -0.10 1.61 4.81 -1.89 -2.28 114.58 117.78 3lce h GLU 129 Ca 0.00 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3lce h GLU 129 Cb 0.00 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 3lce h GLU 129 CO 0.00 1.00 0.06 0.28 -0.73 0.00 0.00 179.01 179.62 3lce h VAL 130 N 0.94 1.05 -0.14 0.32 2.07 -2.00 -1.01 116.25 117.48 3lce h VAL 130 Ca 0.18 -0.13 -0.21 0.00 0.82 0.00 0.00 66.70 67.36 3lce h VAL 130 Cb 0.50 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3lce h VAL 130 CO 0.02 0.05 -0.74 0.03 0.02 0.00 0.00 177.57 176.95 3lce h ARG 131 N 0.10 0.68 -0.18 1.57 3.08 -1.78 -2.41 114.38 115.45 3lce h ARG 131 Ca 0.03 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3lce h ARG 131 Cb 0.02 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3lce h ARG 131 CO -0.01 1.16 0.11 1.98 -1.07 0.00 0.00 179.97 182.15 3lce h MET 132 N 0.47 0.24 -0.76 0.04 4.05 -1.31 0.42 114.93 118.08 3lce h MET 132 Ca -0.04 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.38 3lce h MET 132 Cb 1.35 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 32.05 3lce h MET 132 CO 0.15 0.19 0.49 0.37 0.23 0.00 0.00 176.91 178.34 3lce h GLN 133 N 0.23 0.95 -0.37 0.39 5.75 -1.16 -0.99 115.11 119.90 3lce h GLN 133 Ca 0.07 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.45 3lce h GLN 133 Cb 0.00 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 3lce h GLN 133 CO -0.01 0.63 0.01 -0.22 -2.65 0.00 0.00 178.83 176.59 3lce h LYS 134 N 0.98 0.65 -0.41 1.69 3.64 -0.94 -2.16 116.57 120.01 3lce h LYS 134 Ca 0.30 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 3lce h LYS 134 Cb -0.04 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3lce h LYS 134 CO -0.09 0.74 -0.22 1.88 -2.27 0.00 0.00 179.45 179.50 3lce h TYR 135 N 0.47 0.92 -0.08 1.91 0.05 -0.55 -1.93 116.97 117.76 3lce h TYR 135 Ca 0.11 -0.21 -0.05 0.00 0.05 0.00 0.00 58.73 58.63 3lce h TYR 135 Cb 0.44 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3lce h TYR 135 CO 0.03 0.95 -0.16 -0.07 -1.05 0.00 0.00 178.16 177.86 3lce h LEU 136 N 0.71 0.12 -0.17 3.88 3.38 -1.09 0.65 115.31 122.79 3lce h LEU 136 Ca 0.10 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3lce h LEU 136 Cb 0.74 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3lce h LEU 136 CO 0.06 0.30 -0.17 0.50 0.09 0.00 0.00 178.44 179.21 3lce h LYS 137 N 0.12 0.42 -0.61 1.13 3.64 -1.21 -0.61 116.57 119.45 3lce h LYS 137 Ca 0.02 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3lce h LYS 137 Cb 0.36 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3lce h LYS 137 CO 0.02 0.79 0.40 0.87 -2.27 0.00 0.00 179.45 179.27 3lce h LYS 138 N 0.07 0.71 -0.01 1.90 1.57 -0.57 -2.46 116.57 117.79 3lce h LYS 138 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3lce h LYS 138 Cb 0.71 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3lce h LYS 138 CO 0.04 0.47 -0.17 1.19 -0.57 0.00 0.00 179.45 180.41 3lce n PHE 139 N -4.46 0.00 -3.90 -1.35 3.72 0.15 -4.70 117.46 106.92 3lce n PHE 139 Ca 0.07 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.21 3lce n PHE 139 Cb 0.12 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 3lce n PHE 139 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3lce n SER 140 N -0.71 -1.74 -4.49 4.37 2.88 -0.76 -4.87 113.62 108.29 3lce n SER 140 Ca 0.14 -0.91 -0.43 0.00 -1.33 0.00 0.00 58.87 56.35 3lce n SER 140 Cb 0.31 -3.48 -0.03 0.00 -0.75 0.00 0.00 64.21 60.26 3lce n SER 140 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 3lce s TYR 141 N -3.67 2.72 0.00 0.66 6.14 -0.31 -4.96 117.35 117.93 3lce s TYR 141 Ca 0.21 -0.80 0.00 0.00 0.64 0.00 0.00 57.07 57.12 3lce s TYR 141 Cb -0.11 -4.43 0.00 0.00 0.42 0.00 0.00 41.96 37.84 3lce s TYR 141 CO 0.86 -1.73 0.00 0.41 0.64 0.00 0.00 175.55 175.73 3lce n GLY 142 N 5.74 0.88 0.00 8.97 0.00 -1.26 -1.75 105.19 117.78 3lce n GLY 142 Ca 0.14 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.57 0.00 -2.71 1.61 0.23 0.58 -4.88 115.26 107.52 3lce n ASN 143 Ca 0.00 -0.38 -0.16 0.00 -0.53 0.00 0.00 54.58 53.51 3lce n ASN 143 Cb 0.00 -0.09 -0.00 0.00 -2.08 0.00 0.00 39.78 37.61 3lce n ASN 143 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3lce n GLN 144 N -1.09 -2.72 -3.43 -3.83 6.02 -0.71 -4.92 117.38 106.70 3lce n GLN 144 Ca 0.12 0.60 -0.44 0.00 -0.01 0.00 0.00 57.00 57.28 3lce n GLN 144 Cb 0.09 -5.25 -0.07 0.00 1.02 0.00 0.00 30.24 26.02 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 -2.26 6.00 -0.22 1.08 3.04 -1.26 -4.89 114.94 116.43 3lce s ASN 145 Ca 0.12 -1.60 0.15 0.00 0.04 0.00 0.00 52.86 51.57 3lce s ASN 145 Cb -0.06 -2.13 0.68 0.00 -1.54 0.00 0.00 41.25 38.20 3lce s ASN 145 CO 0.15 -0.70 1.60 2.30 -3.04 0.00 0.00 177.10 177.41 3lce n ILE 146 N 5.12 2.57 -1.30 -5.21 -5.35 -1.26 -1.99 119.36 111.95 3lce n ILE 146 Ca -0.12 -1.69 -0.30 0.00 -0.27 0.00 0.00 62.75 60.38 3lce n ILE 146 Cb 0.42 -0.28 0.13 0.00 -1.74 0.00 0.00 39.64 38.17 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 -1.38 3.57 0.00 7.28 1.04 -1.26 -4.25 113.70 118.69 3lce s SER 147 Ca 0.49 1.37 0.00 0.00 0.48 0.00 0.00 55.95 58.29 3lce s SER 147 Cb 0.39 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.45 3lce s SER 147 CO 0.12 -2.56 0.00 0.61 0.98 0.00 0.00 173.24 172.39 3lce n GLY 148 N -1.40 2.31 0.00 7.32 0.00 -1.26 -4.27 105.19 107.88 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 -2.00 1.24 0.31 -0.02 0.00 -1.26 -4.99 105.19 98.47 3lce n GLY 149 Ca 0.00 0.48 0.21 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 -0.33 -0.61 6.09 -1.91 -0.23 117.51 120.52 3lce h ILE 150 Ca 0.00 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 3lce h ILE 150 Cb 0.00 0.95 0.00 0.00 0.47 0.00 0.00 36.82 38.24 3lce h ILE 150 CO 0.00 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.18 3lce n ASP 151 N -2.95 3.12 0.00 2.19 5.75 -1.26 -4.52 116.55 118.88 3lce n ASP 151 Ca -0.02 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 3lce n ASP 151 Cb 0.08 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 3lce n ASP 151 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 3lce n LYS 152 N 0.32 0.00 0.05 0.11 2.85 -0.22 -4.80 118.16 116.47 3lce n LYS 152 Ca 0.13 -0.33 0.19 0.00 -1.05 0.00 0.00 58.31 57.26 3lce n LYS 152 Cb 0.52 -0.35 0.71 0.00 -0.65 0.00 0.00 35.03 35.26 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 0.00 -0.01 5.58 -5.15 -1.45 -1.21 116.94 114.70 3lce h PHE 153 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3lce h PHE 153 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.14 3lce h PHE 153 CO 0.00 0.00 -0.37 -2.67 -2.00 0.00 0.00 178.31 173.27 3lce n TRP 154 N -4.25 0.00 -0.12 6.09 2.14 -1.26 -2.56 117.44 117.49 3lce n TRP 154 Ca 0.08 0.00 -0.18 0.00 2.07 0.00 0.00 57.50 59.47 3lce n TRP 154 Cb 0.54 -0.13 -0.10 0.00 -0.81 0.00 0.00 31.31 30.81 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 -0.82 2.72 -0.34 5.67 4.77 -0.53 -1.73 117.00 126.74 3lce n LEU 155 Ca 0.10 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3lce n LEU 155 Cb 0.36 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 3lce n LEU 155 CO 0.29 0.81 0.21 -1.84 -1.33 0.00 0.00 177.39 175.52 3lce n GLU 156 N -3.36 0.00 0.00 3.23 0.28 -0.74 -4.91 120.64 115.14 3lce n GLU 156 Ca -0.42 -0.38 0.00 0.00 -0.16 0.00 0.00 57.16 56.21 3lce n GLU 156 Cb 0.91 -0.22 0.00 0.00 1.43 0.00 0.00 31.44 33.56 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 1.61 0.75 -1.84 0.00 -1.06 -4.99 105.19 99.66 3lce n GLY 157 Ca 0.00 -1.70 0.09 0.00 0.00 0.00 0.00 46.02 44.41 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 1.62 -2.07 1.61 1.13 -1.24 -4.95 117.38 113.48 3lce n GLN 158 Ca 0.00 -1.65 -0.41 0.00 -1.94 0.00 0.00 57.00 52.99 3lce n GLN 158 Cb 0.00 -1.35 -0.02 0.00 0.11 0.00 0.00 30.24 28.97 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 -1.44 4.40 -0.02 1.08 2.96 -0.84 -4.68 118.68 120.13 3lce s LEU 159 Ca 0.23 2.60 -0.04 0.00 -0.22 0.00 0.00 54.13 56.70 3lce s LEU 159 Cb 0.15 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 43.23 3lce s LEU 159 CO 0.23 -0.65 0.10 -0.13 -1.32 0.00 0.00 176.35 174.57 3lce s ARG 160 N -0.36 0.22 -0.05 1.98 1.81 -1.26 -3.91 118.95 117.37 3lce s ARG 160 Ca 0.58 -0.05 -0.11 0.00 -1.72 0.00 0.00 55.73 54.43 3lce s ARG 160 Cb -0.40 0.09 0.02 0.00 -0.45 0.00 0.00 34.95 34.21 3lce s ARG 160 CO 0.42 -0.04 0.27 -1.50 -0.68 0.00 0.00 175.30 173.77 3lce s ILE 161 N -0.41 0.04 0.43 1.52 2.07 0.33 -0.31 121.20 124.87 3lce s ILE 161 Ca -0.05 -0.31 0.01 0.00 -1.41 0.00 0.00 60.65 58.89 3lce s ILE 161 Cb -0.03 -0.49 -0.01 0.00 0.13 0.00 0.00 42.46 42.06 3lce s ILE 161 CO 0.00 -0.17 0.64 -0.94 -1.91 0.00 0.00 174.94 172.56 3lce s SER 162 N -0.70 5.92 0.21 4.50 1.04 -1.25 -0.36 113.70 123.07 3lce s SER 162 Ca -0.08 0.29 -0.09 0.00 0.48 0.00 0.00 55.95 56.55 3lce s SER 162 Cb -0.04 -1.60 0.20 0.00 0.10 0.00 0.00 66.02 64.67 3lce s SER 162 CO 0.02 -0.61 1.87 0.00 0.98 0.00 0.00 173.24 175.49 3lce h ALA 163 N 0.49 0.98 -0.48 5.32 0.00 -1.70 -0.70 119.26 123.17 3lce h ALA 163 Ca -0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3lce h ALA 163 Cb 1.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3lce h ALA 163 CO 0.58 0.31 0.30 0.28 0.00 0.00 0.00 179.25 180.71 3lce h VAL 164 N 0.96 1.14 -0.29 0.00 2.07 -1.82 -2.41 116.25 115.91 3lce h VAL 164 Ca 0.30 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3lce h VAL 164 Cb -0.03 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3lce h VAL 164 CO -0.10 0.15 0.05 -1.13 0.02 0.00 0.00 177.57 176.56 3lce h ASN 165 N 0.65 0.38 -0.50 0.57 -0.00 -1.77 -1.85 115.58 113.06 3lce h ASN 165 Ca 0.17 -0.05 -0.06 0.00 -0.00 0.00 0.00 56.30 56.36 3lce h ASN 165 Cb -0.02 -0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 38.18 3lce h ASN 165 CO -0.03 0.41 0.06 1.56 -0.00 0.00 0.00 177.43 179.42 3lce h GLN 166 N 0.41 0.84 -0.46 6.67 1.08 -0.86 -1.16 115.11 121.63 3lce h GLN 166 Ca 0.10 -0.24 -0.11 0.00 -1.45 0.00 0.00 58.65 56.95 3lce h GLN 166 Cb 0.19 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 3lce h GLN 166 CO -0.00 0.85 -0.15 0.28 -0.95 0.00 0.00 178.83 178.86 3lce h VAL 167 N 0.71 1.27 -0.45 -0.54 2.07 -1.11 -0.83 116.25 117.37 3lce h VAL 167 Ca 0.15 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 3lce h VAL 167 Cb 0.43 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3lce h VAL 167 CO 0.01 0.44 0.11 -0.33 0.02 0.00 0.00 177.57 177.82 3lce h GLU 168 N 0.78 0.72 -0.32 1.57 5.08 -1.21 -0.60 114.58 120.60 3lce h GLU 168 Ca 0.12 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3lce h GLU 168 Cb 0.68 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3lce h GLU 168 CO 0.05 0.71 0.19 0.35 -1.00 0.00 0.00 179.01 179.32 3lce h PHE 169 N 0.60 0.41 -0.49 4.33 3.57 -1.06 -2.17 116.94 122.14 3lce h PHE 169 Ca 0.14 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3lce h PHE 169 Cb 0.31 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3lce h PHE 169 CO 0.02 0.30 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.28 3lce h LEU 170 N 0.41 0.83 -0.71 0.59 3.38 -1.07 -1.21 115.31 117.52 3lce h LEU 170 Ca 0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3lce h LEU 170 Cb 0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3lce h LEU 170 CO -0.02 0.92 0.35 -0.08 0.09 0.00 0.00 178.44 179.70 3lce h GLU 171 N 0.78 1.02 -0.60 1.13 4.81 -1.01 0.98 114.58 121.68 3lce h GLU 171 Ca 0.14 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3lce h GLU 171 Cb 0.54 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 3lce h GLU 171 CO 0.03 0.80 0.36 0.77 -0.73 0.00 0.00 179.01 180.23 3lce h SER 172 N 0.99 0.56 0.00 1.04 0.02 -0.91 0.34 113.55 115.59 3lce h SER 172 Ca 0.24 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3lce h SER 172 Cb 0.11 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3lce h SER 172 CO -0.03 0.39 -0.00 0.25 -1.14 0.00 0.00 176.83 176.29 3lce h LEU 173 N 0.69 -0.00 -0.84 5.07 5.85 -0.86 0.53 115.31 125.75 3lce h LEU 173 Ca 0.25 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.99 3lce h LEU 173 Cb 0.07 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 3lce h LEU 173 CO -0.12 0.11 0.44 0.22 -0.34 0.00 0.00 178.44 178.74 3lce h TYR 174 N -0.12 0.77 -0.07 1.25 3.20 -0.33 -0.52 116.97 121.16 3lce h TYR 174 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3lce h TYR 174 Cb 0.12 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3lce h TYR 174 CO -0.04 0.21 0.00 1.28 -1.64 0.00 0.00 178.16 177.97 3lce n LEU 175 N -4.85 0.86 -1.76 2.82 4.77 0.06 -4.89 117.00 114.02 3lce n LEU 175 Ca 0.16 -0.34 -0.18 0.00 -0.03 0.00 0.00 56.01 55.62 3lce n LEU 175 Cb 0.40 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3lce n LEU 175 CO 0.22 0.17 -0.20 0.59 -1.33 0.00 0.00 177.39 176.84 3lce n ASN 176 N -0.25 -5.17 -0.74 -1.43 3.02 -0.11 -4.88 115.26 105.71 3lce n ASN 176 Ca 0.17 0.17 0.13 0.00 -0.03 0.00 0.00 54.58 55.01 3lce n ASN 176 Cb 0.21 -4.24 0.31 0.00 -0.61 0.00 0.00 39.78 35.45 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 -2.62 2.02 -1.04 3.52 5.02 0.17 -4.84 118.16 120.39 3lce n LYS 177 Ca -0.20 -1.48 -0.31 0.00 -2.02 0.00 0.00 58.31 54.30 3lce n LYS 177 Cb 0.63 -1.47 0.12 0.00 -0.02 0.00 0.00 35.03 34.30 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 -1.95 2.87 -1.29 -0.35 1.43 -1.23 -4.89 118.68 113.26 3lce s LEU 178 Ca 0.33 1.93 -0.18 0.00 -1.03 0.00 0.00 54.13 55.18 3lce s LEU 178 Cb 0.20 -4.48 0.05 0.00 0.03 0.00 0.00 46.19 42.00 3lce s LEU 178 CO 0.31 -2.51 1.77 -1.20 0.23 0.00 0.00 176.35 174.96 3lce n SER 179 N -3.83 4.73 -3.49 2.29 7.64 -1.26 -4.80 113.62 114.89 3lce n SER 179 Ca 0.10 -2.90 -0.10 0.00 1.01 0.00 0.00 58.87 56.98 3lce n SER 179 Cb 0.53 -1.74 -0.03 0.00 -1.01 0.00 0.00 64.21 61.96 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 4.80 -1.78 0.61 -0.43 0.00 -1.26 -5.01 121.76 118.69 3lce s ALA 180 Ca 0.55 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 53.31 3lce s ALA 180 Cb 0.04 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 3lce s ALA 180 CO 0.08 -0.64 1.25 -1.54 0.00 0.00 0.00 175.76 174.91 3lce s SER 181 N -2.31 4.98 0.26 0.00 1.04 -1.26 -4.88 113.70 111.54 3lce s SER 181 Ca 0.02 2.51 -0.04 0.00 0.48 0.00 0.00 55.95 58.92 3lce s SER 181 Cb -0.01 -2.61 0.35 0.00 0.10 0.00 0.00 66.02 63.85 3lce s SER 181 CO -0.07 -1.75 1.92 0.50 0.98 0.00 0.00 173.24 174.82 3lce h LYS 182 N 0.81 1.22 -0.64 4.02 3.64 -1.93 -1.72 116.57 121.97 3lce h LYS 182 Ca -0.51 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 58.84 3lce h LYS 182 Cb 1.31 -0.28 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 3lce h LYS 182 CO 0.55 0.81 0.37 1.49 -2.27 0.00 0.00 179.45 180.40 3lce h GLU 183 N 1.26 0.69 -0.23 1.90 4.81 -1.99 0.76 114.58 121.77 3lce h GLU 183 Ca 0.39 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.44 3lce h GLU 183 Cb -0.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3lce h GLU 183 CO -0.12 0.46 -0.41 -0.91 -0.73 0.00 0.00 179.01 177.30 3lce h ASN 184 N 0.71 0.58 -0.37 1.04 2.35 -1.84 -0.87 115.58 117.19 3lce h ASN 184 Ca 0.27 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3lce h ASN 184 Cb 0.11 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3lce h ASN 184 CO -0.14 0.92 0.13 1.56 -1.65 0.00 0.00 177.43 178.25 3lce h GLN 185 N 0.45 0.56 -0.52 0.81 4.20 -0.88 -1.99 115.11 117.74 3lce h GLN 185 Ca 0.04 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.68 3lce h GLN 185 Cb 0.90 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 3lce h GLN 185 CO 0.08 0.56 0.28 -0.07 -0.67 0.00 0.00 178.83 179.01 3lce h LEU 186 N 0.45 0.42 -0.53 1.46 3.38 -0.71 -0.58 115.31 119.19 3lce h LEU 186 Ca 0.12 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.21 3lce h LEU 186 Cb 0.22 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 3lce h LEU 186 CO -0.01 0.29 0.09 0.40 0.09 0.00 0.00 178.44 179.31 3lce h ILE 187 N 0.55 0.68 -0.18 1.22 2.04 -0.98 -1.17 117.51 119.67 3lce h ILE 187 Ca 0.22 -0.08 -0.18 0.00 1.00 0.00 0.00 64.86 65.83 3lce h ILE 187 Cb 0.10 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3lce h ILE 187 CO -0.14 0.04 -0.61 0.58 0.00 0.00 0.00 178.15 178.02 3lce h VAL 188 N 0.23 1.32 -0.56 1.67 2.07 -0.97 -2.62 116.25 117.38 3lce h VAL 188 Ca 0.27 -1.87 0.02 0.00 0.82 0.00 0.00 66.70 65.95 3lce h VAL 188 Cb 0.39 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 3lce h VAL 188 CO -0.37 0.58 0.34 0.11 0.02 0.00 0.00 177.57 178.26 3lce h LYS 189 N 0.45 0.65 -0.06 1.57 1.57 -0.68 -1.79 116.57 118.28 3lce h LYS 189 Ca -0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3lce h LYS 189 Cb 1.18 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 3lce h LYS 189 CO 0.12 0.43 -0.20 1.49 -0.57 0.00 0.00 179.45 180.72 3lce h GLU 190 N 0.67 0.10 0.00 3.15 4.81 -0.92 -0.48 114.58 121.91 3lce h GLU 190 Ca 0.22 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3lce h GLU 190 Cb 0.02 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3lce h GLU 190 CO -0.09 0.30 0.00 0.00 -0.73 0.00 0.00 179.01 178.49 3lce h ALA 191 N 1.71 1.00 -0.01 2.92 0.00 -1.00 -2.67 119.26 121.21 3lce h ALA 191 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3lce h ALA 191 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3lce h ALA 191 CO 0.03 0.00 -0.33 1.28 0.00 0.00 0.00 179.25 180.23 3lce n LEU 192 N -2.76 1.27 -4.66 0.00 4.77 -0.20 -4.69 117.00 110.73 3lce n LEU 192 Ca 0.02 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.19 3lce n LEU 192 Cb 0.32 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3lce n LEU 192 CO 0.26 0.24 1.59 0.52 -1.33 0.00 0.00 177.39 178.67 3lce n VAL 193 N -0.52 0.73 0.21 4.08 0.31 -1.01 -1.23 118.33 120.90 3lce n VAL 193 Ca 0.11 -0.13 0.03 0.00 -0.01 0.00 0.00 64.34 64.34 3lce n VAL 193 Cb 0.38 -2.30 -0.04 0.00 -0.91 0.00 0.00 33.84 30.96 3lce n VAL 193 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3lce n THR 194 N 5.45 0.00 -3.80 2.52 -2.24 0.06 -4.92 114.28 111.35 3lce n THR 194 Ca 0.20 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3lce n THR 194 Cb 0.40 0.78 -0.12 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.91 0.22 -0.14 -0.78 2.56 -1.18 -4.99 118.70 112.49 3lce s GLU 195 Ca 0.01 0.28 -0.06 0.00 0.00 0.00 0.00 54.97 55.19 3lce s GLU 195 Cb 0.05 0.10 0.06 0.00 2.00 0.00 0.00 34.13 36.33 3lce s GLU 195 CO 0.28 -0.03 0.31 0.00 -0.56 0.00 0.00 175.26 175.26 3lce s ALA 196 N 0.15 -0.75 0.23 6.30 0.00 -1.26 -1.51 121.76 124.92 3lce s ALA 196 Ca -0.00 1.19 -0.04 0.00 0.00 0.00 0.00 51.96 53.11 3lce s ALA 196 Cb -0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 3lce s ALA 196 CO -0.00 -0.36 0.27 0.00 0.00 0.00 0.00 175.76 175.67 3lce s ALA 197 N 1.65 0.79 0.35 0.00 0.00 0.65 -5.01 121.76 120.20 3lce s ALA 197 Ca -0.07 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.44 3lce s ALA 197 Cb -0.10 1.29 0.64 0.00 0.00 0.00 0.00 23.12 24.94 3lce s ALA 197 CO -0.10 -0.69 1.97 -1.35 0.00 0.00 0.00 175.76 175.59 3lce h PRO 198 N 2.44 0.72 -0.31 0.00 0.11 -2.01 -2.86 132.00 130.10 3lce h PRO 198 Ca -0.32 -0.08 -0.24 0.00 0.11 0.00 0.00 66.00 65.48 3lce h PRO 198 Cb 1.25 -0.15 -0.24 0.00 0.11 0.00 0.00 31.00 31.97 3lce h PRO 198 CO 0.46 0.55 -0.74 0.39 -0.21 0.00 0.00 178.00 178.44 3lce n GLU 199 N -4.39 2.11 -3.66 1.05 1.02 -1.26 -4.98 120.64 110.53 3lce n GLU 199 Ca 0.05 -3.46 -0.09 0.00 -0.02 0.00 0.00 57.16 53.63 3lce n GLU 199 Cb 0.11 -1.64 -0.10 0.00 -0.02 0.00 0.00 31.44 29.79 3lce n GLU 199 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3lce s TYR 200 N -3.01 -0.75 -0.02 -0.32 6.14 -1.08 -1.37 117.35 116.94 3lce s TYR 200 Ca 0.41 1.46 0.00 0.00 0.64 0.00 0.00 57.07 59.58 3lce s TYR 200 Cb 0.38 0.28 0.02 0.00 0.42 0.00 0.00 41.96 43.07 3lce s TYR 200 CO -0.04 -0.45 0.01 -1.17 0.64 0.00 0.00 175.55 174.53 3lce s LEU 201 N 2.40 1.27 -0.10 6.97 2.96 0.29 -0.25 118.68 132.22 3lce s LEU 201 Ca -0.03 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 3lce s LEU 201 Cb -0.11 -0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 3lce s LEU 201 CO -0.13 -0.09 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.93 3lce s VAL 202 N 0.87 2.52 -0.17 1.68 1.01 -0.57 -0.11 120.40 125.62 3lce s VAL 202 Ca -0.08 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 3lce s VAL 202 Cb -0.11 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3lce s VAL 202 CO -0.02 0.55 -0.07 -1.00 0.00 0.00 0.00 175.10 174.56 3lce s HIS 203 N 0.21 2.92 0.27 5.22 3.76 -0.46 -0.76 115.29 126.45 3lce s HIS 203 Ca -0.12 -0.68 -0.21 0.00 -0.15 0.00 0.00 55.06 53.90 3lce s HIS 203 Cb -0.16 -1.97 0.03 0.00 1.11 0.00 0.00 32.58 31.58 3lce s HIS 203 CO 0.06 -0.30 0.71 -1.54 -0.85 0.00 0.00 174.74 172.82 3lce s SER 204 N 0.80 -0.30 -0.17 1.40 1.04 -0.36 -0.58 113.70 115.53 3lce s SER 204 Ca -0.03 -0.54 -0.13 0.00 0.48 0.00 0.00 55.95 55.74 3lce s SER 204 Cb -0.15 0.71 0.05 0.00 0.10 0.00 0.00 66.02 66.74 3lce s SER 204 CO 0.01 -1.30 0.44 -0.75 0.98 0.00 0.00 173.24 172.62 3lce s LYS 205 N -3.90 0.47 0.50 4.02 2.47 -0.32 -4.81 119.74 118.18 3lce s LYS 205 Ca 0.10 0.72 -0.02 0.00 -1.56 0.00 0.00 55.97 55.22 3lce s LYS 205 Cb -0.05 0.12 0.00 0.00 -1.46 0.00 0.00 37.83 36.44 3lce s LYS 205 CO 0.05 -0.11 0.75 0.95 0.16 0.00 0.00 175.35 177.15 3lce s THR 206 N 0.85 3.79 0.14 3.43 -4.23 -1.26 -1.56 115.64 116.80 3lce s THR 206 Ca -0.05 -0.35 -0.22 0.00 -1.18 0.00 0.00 61.69 59.89 3lce s THR 206 Cb -0.06 -3.44 0.06 0.00 1.34 0.00 0.00 72.50 70.41 3lce s THR 206 CO -0.07 -0.35 0.55 -0.83 -0.54 0.00 0.00 174.62 173.39 3lce s GLY 207 N -4.26 -0.53 -0.29 3.99 0.00 -0.62 -3.53 107.32 102.08 3lce s GLY 207 Ca 0.51 0.40 -0.09 0.00 0.00 0.00 0.00 44.72 45.53 3lce s GLY 207 CO 0.40 0.08 0.63 -0.12 0.00 0.00 0.00 173.10 174.10 3lce s PHE 208 N -3.63 -1.34 -0.30 1.90 5.36 -1.26 -0.15 117.98 118.56 3lce s PHE 208 Ca 0.01 2.25 0.22 0.00 -0.96 0.00 0.00 56.93 58.44 3lce s PHE 208 Cb -0.00 0.76 0.36 0.00 -0.34 0.00 0.00 43.02 43.80 3lce s PHE 208 CO -0.12 -0.68 1.60 0.66 -1.46 0.00 0.00 175.22 175.23 3lce h SER 209 N 8.01 0.00 -4.05 6.13 4.64 -1.06 -3.42 113.55 123.80 3lce h SER 209 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3lce h SER 209 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3lce h SER 209 CO 0.11 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 3lce n GLY 210 N 1.02 3.97 3.69 -0.77 0.00 -1.26 -4.95 105.19 106.88 3lce n GLY 210 Ca 0.03 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 3lce n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lce s VAL 211 N -2.03 4.85 0.00 1.61 1.01 -1.26 -3.90 120.40 120.68 3lce s VAL 211 Ca 0.00 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.85 3lce s VAL 211 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3lce s VAL 211 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.77 3lce n GLY 212 N 3.16 2.02 3.98 4.51 0.00 -0.70 -4.74 105.19 113.41 3lce n GLY 212 Ca 0.06 -2.06 -0.20 0.00 0.00 0.00 0.00 46.02 43.82 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 1.75 2.53 0.21 2.61 -4.23 -0.98 -4.38 115.64 113.15 3lce s THR 213 Ca 0.00 -1.13 -0.09 0.00 -1.18 0.00 0.00 61.69 59.29 3lce s THR 213 Cb 0.00 -2.65 0.17 0.00 1.34 0.00 0.00 72.50 71.36 3lce s THR 213 CO 0.00 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 175.85 3lce h GLU 214 N 0.60 1.10 0.00 3.99 4.81 -1.94 -0.99 114.58 122.15 3lce h GLU 214 Ca -0.37 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 3lce h GLU 214 Cb 1.28 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3lce h GLU 214 CO 0.48 0.79 -0.64 0.66 -0.73 0.00 0.00 179.01 179.56 3lce h SER 215 N 1.11 0.00 -2.11 1.04 4.64 -2.00 -3.36 113.55 112.87 3lce h SER 215 Ca 0.29 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 61.03 3lce h SER 215 Cb -0.02 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.67 3lce h SER 215 CO -0.05 0.39 -0.86 0.59 -0.87 0.00 0.00 176.83 176.03 3lce n ASN 216 N -3.09 1.90 -4.80 4.97 4.13 -0.91 -5.13 115.26 112.33 3lce n ASN 216 Ca -0.00 -3.05 -0.31 0.00 1.68 0.00 0.00 54.58 52.90 3lce n ASN 216 Cb 0.71 -0.65 0.07 0.00 -1.54 0.00 0.00 39.78 38.36 3lce n ASN 216 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3lce s PRO 217 N -1.79 2.64 0.40 3.52 0.04 -0.42 -2.31 135.00 137.08 3lce s PRO 217 Ca 0.37 1.06 -0.07 0.00 0.04 0.00 0.00 61.00 62.40 3lce s PRO 217 Cb 0.16 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.84 3lce s PRO 217 CO -0.06 -1.34 0.52 0.41 0.04 0.00 0.00 177.00 176.57 3lce n GLY 218 N -1.61 -1.39 3.14 0.56 0.00 0.15 -4.72 105.19 101.32 3lce n GLY 218 Ca 0.08 -1.67 -0.25 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.13 1.33 0.02 1.61 0.11 -1.26 -1.34 120.40 118.74 3lce s VAL 219 Ca 0.30 -0.70 0.08 0.00 -2.93 0.00 0.00 61.98 58.73 3lce s VAL 219 Cb -0.01 -1.12 -0.02 0.00 -1.53 0.00 0.00 36.38 33.69 3lce s VAL 219 CO 0.21 0.38 -0.25 0.00 -3.33 0.00 0.00 175.10 172.11 3lce s ALA 220 N -0.24 2.12 0.12 1.54 0.00 -0.61 -0.35 121.76 124.34 3lce s ALA 220 Ca 0.03 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 50.89 3lce s ALA 220 Cb -0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 3lce s ALA 220 CO 0.00 0.51 -0.17 -1.58 0.00 0.00 0.00 175.76 174.52 3lce s TRP 221 N -0.72 1.58 -0.07 0.00 0.52 0.78 -1.49 118.94 119.55 3lce s TRP 221 Ca 0.10 -0.48 -0.03 0.00 0.02 0.00 0.00 56.10 55.72 3lce s TRP 221 Cb -0.10 -0.84 0.04 0.00 -1.15 0.00 0.00 33.47 31.43 3lce s TRP 221 CO 0.01 0.19 0.13 -0.46 0.02 0.00 0.00 176.95 176.84 3lce s TRP 222 N -1.69 -0.10 0.06 -1.98 -0.00 -0.34 -1.58 118.94 113.30 3lce s TRP 222 Ca 0.08 0.50 0.04 0.00 -0.00 0.00 0.00 56.10 56.72 3lce s TRP 222 Cb -0.07 -0.33 -0.03 0.00 -0.00 0.00 0.00 33.47 33.04 3lce s TRP 222 CO 0.04 -0.24 -0.13 0.14 -0.00 0.00 0.00 176.95 176.76 3lce s VAL 223 N 2.23 0.97 -3.43 5.86 -7.23 -0.60 -0.72 120.40 117.48 3lce s VAL 223 Ca 0.03 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 3lce s VAL 223 Cb -0.12 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 35.87 3lce s VAL 223 CO -0.05 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 3lce n GLY 224 N 1.44 -0.58 3.32 2.32 0.00 -0.52 -1.17 105.19 110.01 3lce n GLY 224 Ca -0.21 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.79 -0.24 -0.12 1.61 -2.14 0.25 -0.80 118.94 113.72 3lce s TRP 225 Ca 0.00 -0.04 0.01 0.00 2.66 0.00 0.00 56.10 58.74 3lce s TRP 225 Cb 0.00 0.28 0.02 0.00 -3.10 0.00 0.00 33.47 30.66 3lce s TRP 225 CO 0.00 -0.70 -0.15 0.08 -2.66 0.00 0.00 176.95 173.52 3lce s VAL 226 N -3.63 1.51 -0.36 -0.66 1.01 0.05 -1.36 120.40 116.97 3lce s VAL 226 Ca 0.02 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 3lce s VAL 226 Cb 0.01 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3lce s VAL 226 CO -0.11 0.44 0.36 -1.61 0.00 0.00 0.00 175.10 174.18 3lce s GLU 227 N 1.08 3.46 -0.19 2.72 2.02 0.84 -1.03 118.70 127.61 3lce s GLU 227 Ca -0.04 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.43 3lce s GLU 227 Cb -0.14 -3.84 0.02 0.00 0.10 0.00 0.00 34.13 30.27 3lce s GLU 227 CO -0.03 -0.57 -0.18 0.21 0.02 0.00 0.00 175.26 174.70 3lce s LYS 228 N 1.98 3.00 4.80 1.61 2.20 -0.42 -0.55 119.74 132.37 3lce s LYS 228 Ca 0.11 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 3lce s LYS 228 Cb -0.17 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 3lce s LYS 228 CO 0.12 -0.22 0.00 0.39 -0.36 0.00 0.00 175.35 175.28 3lce n GLU 229 N 4.63 0.00 -0.53 4.03 1.02 -0.47 -0.73 120.64 128.60 3lce n GLU 229 Ca -0.21 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.02 3lce n GLU 229 Cb 0.50 0.00 0.29 0.00 -0.02 0.00 0.00 31.44 32.21 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 2.38 -4.05 2.62 -2.24 -1.26 -4.97 114.28 106.76 3lce n THR 230 Ca 0.00 -1.80 -0.22 0.00 -2.27 0.00 0.00 64.05 59.76 3lce n THR 230 Cb 0.00 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 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 -2.83 2.73 0.00 -0.78 2.56 0.10 -5.13 118.70 115.35 3lce s GLU 231 Ca 0.45 -1.22 0.01 0.00 0.00 0.00 0.00 54.97 54.21 3lce s GLU 231 Cb 0.36 -2.45 -0.01 0.00 2.00 0.00 0.00 34.13 34.03 3lce s GLU 231 CO 0.10 0.28 -0.05 0.54 -0.56 0.00 0.00 175.26 175.57 3lce s VAL 232 N -2.24 0.37 -0.08 3.70 0.11 -1.26 -1.30 120.40 119.70 3lce s VAL 232 Ca 0.35 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 3lce s VAL 232 Cb -0.07 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.47 3lce s VAL 232 CO 0.24 0.03 -0.08 -0.31 -3.33 0.00 0.00 175.10 171.66 3lce s TYR 233 N -0.28 1.25 -0.02 1.54 1.51 -0.20 -0.16 117.35 120.99 3lce s TYR 233 Ca 0.00 -0.51 -0.08 0.00 -1.01 0.00 0.00 57.07 55.47 3lce s TYR 233 Cb -0.03 -1.03 -0.05 0.00 -0.11 0.00 0.00 41.96 40.75 3lce s TYR 233 CO -0.00 -0.35 0.26 -0.06 -1.11 0.00 0.00 175.55 174.28 3lce s PHE 234 N 1.23 3.60 0.03 2.71 0.08 0.16 -0.77 117.98 125.02 3lce s PHE 234 Ca -0.05 0.62 -0.04 0.00 0.12 0.00 0.00 56.93 57.58 3lce s PHE 234 Cb -0.14 -2.02 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 3lce s PHE 234 CO -0.02 0.65 0.07 -0.59 -0.10 0.00 0.00 175.22 175.22 3lce s PHE 235 N -1.20 0.21 -0.13 0.36 -0.12 0.02 -1.13 117.98 115.99 3lce s PHE 235 Ca 0.24 -0.48 -0.07 0.00 -0.05 0.00 0.00 56.93 56.57 3lce s PHE 235 Cb -0.13 -0.15 0.05 0.00 -0.63 0.00 0.00 43.02 42.15 3lce s PHE 235 CO 0.13 -0.31 0.30 0.00 -0.05 0.00 0.00 175.22 175.29 3lce s ALA 236 N -2.23 -0.73 -0.01 1.99 0.00 0.03 -1.44 121.76 119.37 3lce s ALA 236 Ca -0.08 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.10 3lce s ALA 236 Cb -0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 3lce s ALA 236 CO -0.03 -0.22 -0.19 0.12 0.00 0.00 0.00 175.76 175.45 3lce s PHE 237 N 1.22 1.66 0.09 0.00 2.19 0.10 -0.95 117.98 122.29 3lce s PHE 237 Ca -0.09 -0.32 -0.02 0.00 0.33 0.00 0.00 56.93 56.83 3lce s PHE 237 Cb -0.09 -1.06 -0.04 0.00 -1.31 0.00 0.00 43.02 40.53 3lce s PHE 237 CO -0.09 -0.01 0.03 0.54 1.83 0.00 0.00 175.22 177.52 3lce s ASN 238 N -0.55 0.38 0.01 6.13 2.20 -0.64 -1.20 114.94 121.27 3lce s ASN 238 Ca 0.07 -1.04 -0.24 0.00 -0.94 0.00 0.00 52.86 50.71 3lce s ASN 238 Cb -0.07 0.26 0.05 0.00 -2.00 0.00 0.00 41.25 39.48 3lce s ASN 238 CO -0.00 -0.67 0.53 0.00 -2.94 0.00 0.00 177.10 174.02 3lce s MET 239 N -3.96 0.98 0.20 3.55 0.23 -0.56 -0.37 119.30 119.37 3lce s MET 239 Ca 0.13 -0.08 -0.30 0.00 -1.03 0.00 0.00 55.69 54.42 3lce s MET 239 Cb 0.07 0.45 -0.08 0.00 -1.53 0.00 0.00 34.83 33.74 3lce s MET 239 CO -0.06 -0.33 1.08 -0.51 -2.03 0.00 0.00 175.02 173.18 3lce s ASP 240 N -1.62 7.30 -0.15 -1.18 1.01 -0.23 -1.58 116.67 120.23 3lce s ASP 240 Ca -0.08 2.11 0.00 0.00 0.71 0.00 0.00 52.55 55.29 3lce s ASP 240 Cb -0.01 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.33 3lce s ASP 240 CO 0.03 -0.17 -0.14 -0.51 0.21 0.00 0.00 175.17 174.59 3lce s ILE 241 N -0.50 1.55 -0.02 0.77 2.07 -0.45 -4.70 121.20 119.92 3lce s ILE 241 Ca 0.48 -0.64 0.03 0.00 -1.41 0.00 0.00 60.65 59.11 3lce s ILE 241 Cb -0.29 -1.47 0.04 0.00 0.13 0.00 0.00 42.46 40.87 3lce s ILE 241 CO 0.36 0.44 0.84 -0.90 -1.91 0.00 0.00 174.94 173.77 3lce n ASP 242 N 4.78 1.00 -3.68 4.50 5.68 -1.26 -0.67 116.55 126.89 3lce n ASP 242 Ca -0.17 -1.80 -0.12 0.00 -0.50 0.00 0.00 54.79 52.20 3lce n ASP 242 Cb 0.50 -0.10 -0.12 0.00 -1.14 0.00 0.00 41.12 40.26 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 -0.92 -0.03 0.37 -1.12 3.84 -1.26 -4.72 114.94 111.10 3lce s ASN 243 Ca 0.05 0.70 0.04 0.00 0.21 0.00 0.00 52.86 53.86 3lce s ASN 243 Cb 0.04 0.78 0.72 0.00 -0.55 0.00 0.00 41.25 42.24 3lce s ASN 243 CO 0.00 -0.22 2.02 -0.08 -2.79 0.00 0.00 177.10 176.04 3lce h GLU 244 N 7.87 0.70 0.00 0.43 4.81 -1.95 -2.07 114.58 124.37 3lce h GLU 244 Ca -0.23 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3lce h GLU 244 Cb 1.13 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3lce h GLU 244 CO 0.21 0.48 0.00 -1.13 -0.73 0.00 0.00 179.01 177.83 3lce n SER 245 N -4.44 0.00 -0.17 1.04 3.41 -1.26 -2.39 113.62 109.81 3lce n SER 245 Ca 0.05 0.30 0.13 0.00 -0.26 0.00 0.00 58.87 59.09 3lce n SER 245 Cb 0.06 -0.40 0.38 0.00 -0.26 0.00 0.00 64.21 63.99 3lce n SER 245 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3lce n LYS 246 N -1.40 0.62 -0.25 4.33 5.02 -0.78 -4.36 118.16 121.35 3lce n LYS 246 Ca 0.05 -0.35 0.18 0.00 -2.02 0.00 0.00 58.31 56.17 3lce n LYS 246 Cb 0.14 -1.49 0.49 0.00 -0.02 0.00 0.00 35.03 34.14 3lce n LYS 246 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3lce h LEU 247 N 0.85 0.46 -0.38 -0.35 5.85 -1.60 -1.01 115.31 119.12 3lce h LEU 247 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3lce h LEU 247 Cb 0.49 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3lce h LEU 247 CO 0.00 0.18 0.00 -2.65 -0.34 0.00 0.00 178.44 175.63 3lce n PRO 248 N -4.53 0.15 0.28 5.25 -0.02 -1.26 -1.69 135.00 133.18 3lce n PRO 248 Ca 0.19 0.32 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 3lce n PRO 248 Cb 0.67 -1.75 0.84 0.00 -0.02 0.00 0.00 33.50 33.24 3lce n PRO 248 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3lce h LEU 249 N 0.00 0.00 -2.31 2.45 3.38 -1.50 -1.90 115.31 115.42 3lce h LEU 249 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3lce h LEU 249 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3lce h LEU 249 CO 0.00 0.00 0.16 0.08 0.09 0.00 0.00 178.44 178.77 3lce h ARG 250 N 0.00 0.00 0.00 1.13 -0.00 -1.49 -1.63 114.38 112.39 3lce h ARG 250 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 59.65 3lce h ARG 250 Cb 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 29.93 3lce h ARG 250 CO -0.00 0.00 -2.28 1.63 -0.00 0.00 0.00 179.97 179.32 3lce n LYS 251 N -3.69 0.71 0.11 0.08 5.02 -0.76 -4.50 118.16 115.14 3lce n LYS 251 Ca 0.00 0.09 -0.03 0.00 -2.02 0.00 0.00 58.31 56.36 3lce n LYS 251 Cb 0.27 -1.46 0.09 0.00 -0.02 0.00 0.00 35.03 33.91 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 0.00 0.00 4.39 4.64 -1.24 -1.59 113.55 119.76 3lce h SER 252 Ca -0.50 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3lce h SER 252 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 3lce h SER 252 CO -0.05 0.73 -0.00 0.40 -0.87 0.00 0.00 176.83 177.04 3lce h ILE 253 N 0.00 1.35 -0.34 0.95 2.04 -1.57 -1.48 117.51 118.45 3lce h ILE 253 Ca -0.01 -1.05 -0.09 0.00 1.00 0.00 0.00 64.86 64.72 3lce h ILE 253 Cb 1.29 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 3lce h ILE 253 CO 0.09 0.27 -0.15 -0.65 0.00 0.00 0.00 178.15 177.71 3lce h PRO 254 N -0.45 0.62 -0.49 2.37 0.11 -1.76 -1.95 132.00 130.43 3lce h PRO 254 Ca -0.00 -0.20 0.08 0.00 0.11 0.00 0.00 66.00 65.99 3lce h PRO 254 Cb 0.45 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.44 3lce h PRO 254 CO 0.00 0.75 0.12 1.15 -0.21 0.00 0.00 178.00 179.81 3lce h THR 255 N 0.56 0.75 -0.54 -1.15 2.02 -1.28 0.72 112.91 113.98 3lce h THR 255 Ca 0.09 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3lce h THR 255 Cb 0.58 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3lce h THR 255 CO 0.04 0.05 0.29 0.11 0.37 0.00 0.00 175.52 176.38 3lce h LYS 256 N 0.26 0.76 -0.35 6.66 1.57 -0.86 0.13 116.57 124.73 3lce h LYS 256 Ca 0.25 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3lce h LYS 256 Cb 0.31 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3lce h LYS 256 CO -0.30 0.59 0.18 0.82 -0.57 0.00 0.00 179.45 180.17 3lce h ILE 257 N 0.73 1.15 -0.11 1.86 2.04 -1.08 -0.74 117.51 121.36 3lce h ILE 257 Ca 0.19 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 3lce h ILE 257 Cb 0.05 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3lce h ILE 257 CO -0.03 0.16 -0.13 0.24 0.00 0.00 0.00 178.15 178.38 3lce h MET 258 N 0.44 0.18 0.35 2.37 2.86 -0.64 0.30 114.93 120.78 3lce h MET 258 Ca 0.12 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3lce h MET 258 Cb 0.09 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3lce h MET 258 CO -0.02 0.32 -0.17 0.93 1.06 0.00 0.00 176.91 179.03 3lce h GLU 259 N 0.17 -0.45 0.00 1.72 5.08 -0.34 -0.47 114.58 120.28 3lce h GLU 259 Ca 0.03 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3lce h GLU 259 Cb 0.35 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3lce h GLU 259 CO 0.02 -0.25 -0.18 0.66 -1.00 0.00 0.00 179.01 178.26 3lce h SER 260 N -0.55 0.00 0.57 1.42 4.64 -0.67 0.17 113.55 119.13 3lce h SER 260 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3lce h SER 260 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3lce h SER 260 CO 0.08 0.18 0.00 -0.62 -0.87 0.00 0.00 176.83 175.60 3lce n GLU 261 N -3.87 0.33 -0.82 4.77 -0.58 0.05 -4.92 120.64 115.60 3lce n GLU 261 Ca -0.02 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3lce n GLU 261 Cb 0.28 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 1.04 0.58 0.16 0.62 0.00 0.60 -4.92 105.19 103.26 3lce n GLY 262 Ca 0.12 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 1.38 -3.78 -0.61 2.04 -1.29 -3.42 117.51 111.83 3lce h ILE 263 Ca 0.00 -2.17 -0.63 0.00 1.00 0.00 0.00 64.86 63.06 3lce h ILE 263 Cb 0.00 2.58 -0.15 0.00 -0.74 0.00 0.00 36.82 38.50 3lce h ILE 263 CO 0.00 0.64 -0.37 -0.63 0.00 0.00 0.00 178.15 177.79 3lce s ILE 264 N -3.19 5.24 0.00 -0.67 1.01 -1.03 -4.94 121.20 117.62 3lce s ILE 264 Ca -0.12 0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.92 3lce s ILE 264 Cb 0.04 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.89 3lce s ILE 264 CO 0.85 0.21 0.00 0.61 0.00 0.00 0.00 174.94 176.61 3lce n GLY 265 N 4.79 2.34 0.93 6.18 0.00 -1.26 -4.44 105.19 113.73 3lce n GLY 265 Ca -0.11 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.20 3lce n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93