#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eea s SER 2 N 0.00 -0.23 0.08 1.61 1.04 -1.26 -5.19 113.70 109.75 2eea s SER 2 Ca 0.00 0.34 -0.26 0.00 0.48 0.00 0.00 55.95 56.51 2eea s SER 2 Cb 0.00 0.30 0.08 0.00 0.10 0.00 0.00 66.02 66.50 2eea s SER 2 CO 0.00 -0.15 0.68 -0.94 0.98 0.00 0.00 173.24 173.80 2eea s SER 3 N -0.58 -0.55 0.08 7.02 1.04 -1.26 -5.19 113.70 114.27 2eea s SER 3 Ca 0.04 0.16 -0.16 0.00 0.48 0.00 0.00 55.95 56.46 2eea s SER 3 Cb -0.02 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.67 2eea s SER 3 CO -0.06 -0.82 0.38 -0.83 0.98 0.00 0.00 173.24 172.89 2eea s GLY 4 N -2.34 -0.23 -0.30 7.32 0.00 -1.26 -5.15 107.32 105.36 2eea s GLY 4 Ca -0.01 0.07 -0.13 0.00 0.00 0.00 0.00 44.72 44.65 2eea s GLY 4 CO -0.07 -0.18 0.97 -0.56 0.00 0.00 0.00 173.10 173.25 2eea s SER 5 N -2.39 -0.62 -0.03 1.64 0.01 -1.26 -5.17 113.70 105.87 2eea s SER 5 Ca -0.01 0.60 -0.15 0.00 1.31 0.00 0.00 55.95 57.70 2eea s SER 5 Cb 0.01 1.61 0.02 0.00 0.21 0.00 0.00 66.02 67.87 2eea s SER 5 CO -0.07 -0.12 0.32 -0.55 0.41 0.00 0.00 173.24 173.23 2eea s SER 6 N 2.69 -0.21 0.00 2.44 0.15 -1.26 -5.09 113.70 112.43 2eea s SER 6 Ca 0.01 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2eea s SER 6 Cb -0.09 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 2eea s SER 6 CO -0.15 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.49 2eea n GLY 7 N 1.46 -1.81 3.74 9.45 0.00 -1.26 -5.17 105.19 111.60 2eea n GLY 7 Ca -0.21 0.84 -0.30 0.00 0.00 0.00 0.00 46.02 46.35 2eea n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eea s PRO 8 N 0.00 1.64 -0.17 1.61 0.04 -1.26 -5.07 135.00 131.78 2eea s PRO 8 Ca 0.00 0.96 -0.33 0.00 0.04 0.00 0.00 61.00 61.66 2eea s PRO 8 Cb 0.00 -1.84 0.14 0.00 0.04 0.00 0.00 34.50 32.84 2eea s PRO 8 CO 0.00 -2.02 1.16 -1.83 0.04 0.00 0.00 177.00 174.35 2eea s GLU 9 N -4.92 0.38 0.01 4.56 1.03 -1.26 -5.18 118.70 113.32 2eea s GLU 9 Ca 0.63 -0.10 -0.00 0.00 0.03 0.00 0.00 54.97 55.52 2eea s GLU 9 Cb -0.18 0.18 -0.01 0.00 -0.80 0.00 0.00 34.13 33.32 2eea s GLU 9 CO 0.57 -0.16 -0.01 -1.54 -1.33 0.00 0.00 175.26 172.78 2eea s SER 10 N -2.01 0.11 1.01 0.83 1.04 -1.26 -5.16 113.70 108.27 2eea s SER 10 Ca 0.08 -0.24 -0.13 0.00 0.48 0.00 0.00 55.95 56.14 2eea s SER 10 Cb -0.01 0.05 0.20 0.00 0.10 0.00 0.00 66.02 66.36 2eea s SER 10 CO -0.05 -0.14 1.09 -2.16 0.98 0.00 0.00 173.24 172.96 2eea s PRO 11 N -0.70 0.30 0.84 4.02 0.04 -1.26 -4.98 135.00 133.26 2eea s PRO 11 Ca -0.08 0.48 -0.14 0.00 0.04 0.00 0.00 61.00 61.31 2eea s PRO 11 Cb -0.05 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.78 2eea s PRO 11 CO -0.00 -2.81 0.59 1.28 0.04 0.00 0.00 177.00 176.09 2eea n LEU 12 N -4.23 0.97 -4.85 -3.56 4.77 -1.26 -4.97 117.00 103.86 2eea n LEU 12 Ca 0.05 0.47 -0.38 0.00 -0.03 0.00 0.00 56.01 56.12 2eea n LEU 12 Cb 0.57 -1.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.34 2eea n LEU 12 CO 0.57 -3.11 -0.02 -1.10 -1.33 0.00 0.00 177.39 172.40 2eea s GLN 13 N -3.39 3.71 0.47 3.23 -1.52 -1.26 -5.10 119.66 115.80 2eea s GLN 13 Ca 0.63 0.16 0.05 0.00 -1.95 0.00 0.00 55.36 54.24 2eea s GLN 13 Cb -0.28 -3.21 0.02 0.00 -0.22 0.00 0.00 33.01 29.32 2eea s GLN 13 CO 0.61 0.72 0.66 -0.06 -0.25 0.00 0.00 175.29 176.97 2eea s PHE 14 N -1.03 2.87 -0.51 0.91 0.08 -1.26 -5.04 117.98 114.00 2eea s PHE 14 Ca 0.20 -0.18 -0.27 0.00 0.12 0.00 0.00 56.93 56.79 2eea s PHE 14 Cb -0.14 -2.52 0.03 0.00 -0.57 0.00 0.00 43.02 39.82 2eea s PHE 14 CO 0.09 -0.59 1.08 0.71 -0.10 0.00 0.00 175.22 176.41 2eea s TYR 15 N -2.53 2.78 0.10 0.36 1.51 -1.26 -4.99 117.35 113.32 2eea s TYR 15 Ca 0.55 0.47 -0.31 0.00 -1.01 0.00 0.00 57.07 56.78 2eea s TYR 15 Cb -0.10 -4.32 -0.10 0.00 -0.11 0.00 0.00 41.96 37.34 2eea s TYR 15 CO 0.36 -1.33 1.80 0.08 -1.11 0.00 0.00 175.55 175.34 2eea s VAL 16 N 4.38 2.68 -0.24 0.71 1.01 -1.26 -4.96 120.40 122.72 2eea s VAL 16 Ca 0.42 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.36 2eea s VAL 16 Cb -0.08 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2eea s VAL 16 CO 0.28 -0.00 0.56 0.54 0.00 0.00 0.00 175.10 176.47 2eea s ASN 17 N 2.76 6.53 0.04 3.32 4.22 -1.26 -5.06 114.94 125.49 2eea s ASN 17 Ca 0.80 0.64 0.06 0.00 -2.14 0.00 0.00 52.86 52.22 2eea s ASN 17 Cb -0.44 -2.31 -0.02 0.00 1.28 0.00 0.00 41.25 39.76 2eea s ASN 17 CO 0.36 -0.28 -0.18 -0.72 -2.04 0.00 0.00 177.10 174.23 2eea s TYR 18 N 2.17 1.56 0.69 1.54 -0.85 -1.26 -5.14 117.35 116.06 2eea s TYR 18 Ca 0.24 -0.36 -0.14 0.00 -0.52 0.00 0.00 57.07 56.29 2eea s TYR 18 Cb -0.16 -0.92 0.02 0.00 0.38 0.00 0.00 41.96 41.28 2eea s TYR 18 CO 0.09 0.07 1.10 -1.25 -1.52 0.00 0.00 175.55 174.05 2eea s PRO 19 N -1.17 2.64 -0.23 -3.49 0.04 -1.26 -5.03 135.00 126.50 2eea s PRO 19 Ca 0.05 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 2eea s PRO 19 Cb -0.08 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2eea s PRO 19 CO 0.02 -1.37 0.06 -0.80 0.04 0.00 0.00 177.00 174.95 2eea s ASN 20 N -2.82 5.14 0.37 6.66 0.01 -1.26 -5.07 114.94 117.97 2eea s ASN 20 Ca 0.65 -0.18 -0.09 0.00 -0.71 0.00 0.00 52.86 52.54 2eea s ASN 20 Cb -0.20 -1.91 0.04 0.00 0.41 0.00 0.00 41.25 39.59 2eea s ASN 20 CO 0.46 0.00 0.64 -0.24 -1.51 0.00 0.00 177.10 176.45 2eea n SER 21 N 4.66 -1.83 0.00 -1.22 2.88 -1.26 -5.18 113.62 111.67 2eea n SER 21 Ca -0.16 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 2eea n SER 21 Cb 0.52 3.18 0.00 0.00 -0.75 0.00 0.00 64.21 67.15 2eea n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eea n GLY 22 N -0.54 3.37 3.60 0.46 0.00 -1.26 -5.12 105.19 105.70 2eea n GLY 22 Ca -0.04 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 2eea n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eea s SER 23 N 0.00 0.03 -0.12 1.61 1.04 -1.26 -4.94 113.70 110.06 2eea s SER 23 Ca 0.00 -0.99 -0.30 0.00 0.48 0.00 0.00 55.95 55.14 2eea s SER 23 Cb 0.00 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 2eea s SER 23 CO 0.00 -1.20 1.03 -0.69 0.98 0.00 0.00 173.24 173.36 2eea s VAL 24 N -3.80 4.71 -0.06 5.02 1.01 -1.26 -4.79 120.40 121.23 2eea s VAL 24 Ca 0.23 1.99 0.06 0.00 0.00 0.00 0.00 61.98 64.25 2eea s VAL 24 Cb -0.01 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 2eea s VAL 24 CO 0.10 -0.02 -0.23 -0.94 0.00 0.00 0.00 175.10 174.01 2eea s SER 25 N 1.16 3.21 -0.17 3.32 1.04 -1.26 -4.59 113.70 116.40 2eea s SER 25 Ca 0.49 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.42 2eea s SER 25 Cb -0.19 -0.85 -0.02 0.00 0.10 0.00 0.00 66.02 65.07 2eea s SER 25 CO 0.17 0.26 -0.07 0.00 0.98 0.00 0.00 173.24 174.58 2eea s ALA 26 N -0.22 2.81 0.19 5.32 0.00 -1.26 -1.63 121.76 126.97 2eea s ALA 26 Ca -0.02 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 2eea s ALA 26 Cb -0.13 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.49 2eea s ALA 26 CO 0.03 -0.01 0.37 1.52 0.00 0.00 0.00 175.76 177.67 2eea s TYR 27 N 0.77 0.31 0.00 0.00 1.13 -0.67 -5.03 117.35 113.86 2eea s TYR 27 Ca -0.03 -0.67 0.00 0.00 -1.41 0.00 0.00 57.07 54.96 2eea s TYR 27 Cb -0.15 0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.78 2eea s TYR 27 CO 0.02 -0.82 0.00 0.41 -2.51 0.00 0.00 175.55 172.65 2eea n GLY 28 N -0.28 3.38 0.00 5.49 0.00 -1.26 -0.66 105.19 111.86 2eea n GLY 28 Ca -0.06 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.35 2eea n GLY 28 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eea n PRO 29 N -1.98 0.37 -0.01 1.61 -0.04 -1.26 -2.19 135.00 131.49 2eea n PRO 29 Ca 0.00 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 2eea n PRO 29 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 2eea n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2eea n GLY 30 N -0.02 -0.98 0.11 0.55 0.00 -1.24 -3.78 105.19 99.83 2eea n GLY 30 Ca 0.10 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 2eea n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eea n LEU 31 N -1.91 1.67 -0.02 0.99 4.77 -0.93 -4.42 117.00 117.15 2eea n LEU 31 Ca -0.00 0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.85 2eea n LEU 31 Cb 0.46 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 2eea n LEU 31 CO 0.44 0.70 0.26 0.58 -1.33 0.00 0.00 177.39 178.04 2eea h VAL 32 N 0.01 1.28 -2.64 4.08 2.07 -1.73 -3.27 116.25 116.05 2eea h VAL 32 Ca -0.50 -1.98 0.12 0.00 0.82 0.00 0.00 66.70 65.16 2eea h VAL 32 Cb 2.05 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 33.82 2eea h VAL 32 CO 0.01 0.62 0.48 -0.72 0.02 0.00 0.00 177.57 177.98 2eea s TYR 33 N -3.71 0.04 0.00 1.57 -0.85 -1.25 -2.31 117.35 110.84 2eea s TYR 33 Ca -0.11 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 2eea s TYR 33 Cb 0.08 0.73 0.00 0.00 0.38 0.00 0.00 41.96 43.15 2eea s TYR 33 CO 0.90 -1.08 0.00 0.41 -1.52 0.00 0.00 175.55 174.26 2eea n GLY 34 N -0.61 1.90 3.04 5.49 0.00 -0.77 -3.91 105.19 110.32 2eea n GLY 34 Ca -0.05 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2eea n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2eea s VAL 35 N -2.91 -0.12 0.19 1.61 1.01 -1.26 -2.62 120.40 116.30 2eea s VAL 35 Ca 0.00 0.18 -0.32 0.00 0.00 0.00 0.00 61.98 61.84 2eea s VAL 35 Cb 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 36.38 35.84 2eea s VAL 35 CO 0.00 0.07 1.12 0.00 0.00 0.00 0.00 175.10 176.30 2eea n ALA 36 N 4.49 -0.79 -3.90 5.51 0.00 -0.68 -1.10 120.51 124.04 2eea n ALA 36 Ca -0.21 0.45 -0.28 0.00 0.00 0.00 0.00 53.44 53.40 2eea n ALA 36 Cb 0.52 -2.01 0.02 0.00 0.00 0.00 0.00 19.45 17.98 2eea n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2eea n ASN 37 N 1.91 -3.36 -4.00 0.00 5.03 0.20 -4.71 115.26 110.33 2eea n ASN 37 Ca 0.14 -0.83 -0.11 0.00 0.87 0.00 0.00 54.58 54.65 2eea n ASN 37 Cb 0.25 -3.75 -0.12 0.00 -1.02 0.00 0.00 39.78 35.15 2eea n ASN 37 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2eea s LYS 38 N -6.49 0.38 0.22 3.52 2.36 -0.26 -5.00 119.74 114.47 2eea s LYS 38 Ca 0.45 -0.60 -0.30 0.00 -2.55 0.00 0.00 55.97 52.97 2eea s LYS 38 Cb -0.23 -0.10 -0.09 0.00 -1.05 0.00 0.00 37.83 36.37 2eea s LYS 38 CO 0.84 0.00 1.31 0.95 1.55 0.00 0.00 175.35 180.01 2eea s THR 39 N -1.24 3.11 -0.28 3.43 -4.23 -1.26 -4.22 115.64 110.95 2eea s THR 39 Ca -0.11 0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 61.23 2eea s THR 39 Cb -0.09 -3.60 0.11 0.00 1.34 0.00 0.00 72.50 70.26 2eea s THR 39 CO -0.00 0.15 0.63 0.00 -0.54 0.00 0.00 174.62 174.86 2eea s ALA 40 N -0.09 -1.88 0.04 3.99 0.00 -1.16 -4.90 121.76 117.75 2eea s ALA 40 Ca 0.56 2.26 0.02 0.00 0.00 0.00 0.00 51.96 54.79 2eea s ALA 40 Cb -0.37 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 2eea s ALA 40 CO 0.40 -0.75 -0.06 -0.08 0.00 0.00 0.00 175.76 175.27 2eea s THR 41 N 2.49 0.41 0.38 0.00 -1.32 -1.26 -1.25 115.64 115.09 2eea s THR 41 Ca -0.07 -1.03 0.08 0.00 -1.21 0.00 0.00 61.69 59.46 2eea s THR 41 Cb -0.10 -0.51 -0.07 0.00 -1.51 0.00 0.00 72.50 70.31 2eea s THR 41 CO -0.18 -0.42 -0.03 0.72 -2.21 0.00 0.00 174.62 172.50 2eea s PHE 42 N -1.40 2.43 0.10 9.09 -0.71 -0.93 -3.68 117.98 122.88 2eea s PHE 42 Ca -0.12 -0.62 0.09 0.00 -1.04 0.00 0.00 56.93 55.25 2eea s PHE 42 Cb -0.10 -1.59 -0.04 0.00 -1.21 0.00 0.00 43.02 40.09 2eea s PHE 42 CO -0.00 0.48 -0.24 0.99 -1.34 0.00 0.00 175.22 175.11 2eea s THR 43 N -2.70 2.00 0.03 -4.49 2.01 0.17 -2.39 115.64 110.26 2eea s THR 43 Ca 0.34 -1.58 0.06 0.00 0.31 0.00 0.00 61.69 60.82 2eea s THR 43 Cb 0.07 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 2eea s THR 43 CO 0.17 0.08 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.37 2eea s ILE 44 N -1.04 1.50 -1.22 1.82 1.01 -0.95 -1.68 121.20 120.64 2eea s ILE 44 Ca 0.10 -1.04 -0.13 0.00 0.00 0.00 0.00 60.65 59.59 2eea s ILE 44 Cb -0.10 -1.29 0.18 0.00 0.01 0.00 0.00 42.46 41.25 2eea s ILE 44 CO 0.04 0.23 1.49 0.52 0.00 0.00 0.00 174.94 177.22 2eea n VAL 45 N 2.08 4.29 -1.46 2.92 0.31 -0.64 -3.05 118.33 122.78 2eea n VAL 45 Ca -0.17 -4.72 -0.37 0.00 -0.01 0.00 0.00 64.34 59.07 2eea n VAL 45 Cb 0.54 -2.45 -0.03 0.00 -0.91 0.00 0.00 33.84 30.98 2eea n VAL 45 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2eea n THR 46 N 4.30 4.43 -0.03 2.52 -1.04 -1.21 -4.19 114.28 119.06 2eea n THR 46 Ca 0.37 -2.94 -0.18 0.00 -2.04 0.00 0.00 64.05 59.26 2eea n THR 46 Cb 0.41 -2.41 -0.14 0.00 -1.82 0.00 0.00 70.33 66.37 2eea n THR 46 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2eea n GLU 47 N 2.98 0.71 -1.44 -2.82 4.71 -1.26 -4.30 120.64 119.22 2eea n GLU 47 Ca 0.72 0.23 -0.25 0.00 -0.01 0.00 0.00 57.16 57.85 2eea n GLU 47 Cb 0.29 -1.68 0.09 0.00 -1.01 0.00 0.00 31.44 29.13 2eea n GLU 47 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2eea n ASP 48 N -3.31 5.51 -0.01 1.62 8.00 -1.26 -4.62 116.55 122.48 2eea n ASP 48 Ca -0.32 -3.76 -0.03 0.00 0.71 0.00 0.00 54.79 51.39 2eea n ASP 48 Cb 1.05 -0.71 -0.01 0.00 -0.02 0.00 0.00 41.12 41.42 2eea n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2eea n ALA 49 N -0.92 2.13 0.00 2.24 0.00 -1.26 -4.83 120.51 117.87 2eea n ALA 49 Ca 0.51 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2eea n ALA 49 Cb 0.92 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.53 2eea n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eea n GLY 50 N 2.68 -0.04 3.15 0.00 0.00 -1.26 -4.60 105.19 105.12 2eea n GLY 50 Ca -0.05 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 2eea n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eea s GLU 51 N 0.00 2.46 0.00 1.61 2.56 -1.26 -4.90 118.70 119.16 2eea s GLU 51 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 54.97 52.86 2eea s GLU 51 Cb 0.00 -3.80 0.00 0.00 2.00 0.00 0.00 34.13 32.33 2eea s GLU 51 CO 0.00 -1.16 0.00 0.41 -0.56 0.00 0.00 175.26 173.95 2eea n GLY 52 N 4.23 0.40 3.29 -1.50 0.00 -1.26 -5.14 105.19 105.21 2eea n GLY 52 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2eea n GLY 52 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2eea s GLY 53 N -1.10 -0.88 -0.27 -0.02 0.00 -1.26 -5.01 107.32 98.78 2eea s GLY 53 Ca 0.00 2.06 -0.06 0.00 0.00 0.00 0.00 44.72 46.72 2eea s GLY 53 CO 0.00 3.32 0.04 -2.27 0.00 0.00 0.00 173.10 174.19 2eea s LEU 54 N 2.86 3.55 -0.02 0.66 2.96 -1.26 -1.53 118.68 125.90 2eea s LEU 54 Ca 0.12 -0.60 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2eea s LEU 54 Cb -0.14 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 2eea s LEU 54 CO -0.20 -0.13 -0.20 -1.81 -1.32 0.00 0.00 176.35 172.69 2eea s ASP 55 N 1.49 3.59 -0.00 3.68 1.11 -0.48 -5.04 116.67 121.03 2eea s ASP 55 Ca 0.03 -0.35 0.00 0.00 0.18 0.00 0.00 52.55 52.42 2eea s ASP 55 Cb -0.16 -0.60 -0.00 0.00 1.07 0.00 0.00 42.92 43.23 2eea s ASP 55 CO 0.01 0.32 -0.01 -0.76 1.18 0.00 0.00 175.17 175.90 2eea s LEU 56 N -0.81 2.00 -0.23 1.23 1.02 -1.26 -1.65 118.68 118.98 2eea s LEU 56 Ca 0.11 -0.03 -0.09 0.00 0.02 0.00 0.00 54.13 54.15 2eea s LEU 56 Cb -0.10 -0.07 0.10 0.00 0.02 0.00 0.00 46.19 46.13 2eea s LEU 56 CO 0.01 0.02 0.50 0.00 0.02 0.00 0.00 176.35 176.89 2eea s ALA 57 N -0.03 -1.43 0.10 4.21 0.00 -0.02 -5.00 121.76 119.57 2eea s ALA 57 Ca 0.01 1.80 0.05 0.00 0.00 0.00 0.00 51.96 53.81 2eea s ALA 57 Cb -0.01 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2eea s ALA 57 CO -0.00 -0.71 0.03 0.42 0.00 0.00 0.00 175.76 175.49 2eea s ILE 58 N 2.47 4.15 0.30 0.00 1.01 -1.26 0.28 121.20 128.15 2eea s ILE 58 Ca -0.04 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.69 2eea s ILE 58 Cb -0.11 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 2eea s ILE 58 CO -0.15 0.10 0.22 -1.61 0.00 0.00 0.00 174.94 173.50 2eea s GLU 59 N -2.40 1.61 0.00 2.79 0.41 -0.65 -4.84 118.70 115.63 2eea s GLU 59 Ca 0.27 -1.92 0.00 0.00 -0.41 0.00 0.00 54.97 52.91 2eea s GLU 59 Cb -0.12 0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.46 2eea s GLU 59 CO 0.19 -0.56 0.00 0.41 -0.49 0.00 0.00 175.26 174.82 2eea n GLY 60 N -0.55 0.13 0.04 -1.39 0.00 -1.26 -1.85 105.19 100.31 2eea n GLY 60 Ca 0.05 -1.42 0.09 0.00 0.00 0.00 0.00 46.02 44.73 2eea n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eea n PRO 61 N 0.00 0.07 -3.69 1.61 -0.04 -1.26 -4.76 135.00 126.92 2eea n PRO 61 Ca 0.00 0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.64 2eea n PRO 61 Cb 0.00 -1.63 -0.07 0.00 -0.04 0.00 0.00 33.50 31.76 2eea n PRO 61 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eea s SER 62 N -3.43 -0.26 -0.16 3.54 0.15 -1.26 -5.02 113.70 107.26 2eea s SER 62 Ca 0.06 0.02 -0.22 0.00 0.70 0.00 0.00 55.95 56.51 2eea s SER 62 Cb 0.09 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.77 2eea s SER 62 CO 0.31 -0.61 0.69 -0.75 1.20 0.00 0.00 173.24 174.08 2eea s LYS 63 N -2.18 4.28 0.10 5.44 2.20 -1.26 -4.87 119.74 123.45 2eea s LYS 63 Ca -0.07 0.77 0.10 0.00 -0.36 0.00 0.00 55.97 56.41 2eea s LYS 63 Cb -0.02 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 2eea s LYS 63 CO -0.00 -0.19 -0.26 0.00 -0.36 0.00 0.00 175.35 174.53 2eea s ALA 64 N 1.71 2.35 0.81 3.13 0.00 -1.26 -4.87 121.76 123.62 2eea s ALA 64 Ca 0.33 -1.39 -0.12 0.00 0.00 0.00 0.00 51.96 50.78 2eea s ALA 64 Cb -0.16 -0.43 0.08 0.00 0.00 0.00 0.00 23.12 22.60 2eea s ALA 64 CO 0.12 0.54 1.12 -1.21 0.00 0.00 0.00 175.76 176.33 2eea s GLU 65 N -1.75 1.99 -0.01 0.00 2.02 -1.26 -4.91 118.70 114.78 2eea s GLU 65 Ca 0.13 0.47 0.01 0.00 0.02 0.00 0.00 54.97 55.60 2eea s GLU 65 Cb -0.10 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.21 2eea s GLU 65 CO 0.05 -1.65 -0.02 0.42 0.02 0.00 0.00 175.26 174.08 2eea s ILE 66 N -3.27 0.15 -0.23 -1.63 1.01 -1.26 -4.36 121.20 111.62 2eea s ILE 66 Ca 0.61 -0.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.18 2eea s ILE 66 Cb -0.13 -0.15 0.07 0.00 0.01 0.00 0.00 42.46 42.25 2eea s ILE 66 CO 0.53 0.06 0.05 -0.44 0.00 0.00 0.00 174.94 175.13 2eea s SER 67 N 0.10 3.31 -0.27 3.58 0.01 -1.02 -5.03 113.70 114.39 2eea s SER 67 Ca -0.01 -1.08 -0.10 0.00 1.31 0.00 0.00 55.95 56.07 2eea s SER 67 Cb -0.03 -0.71 -0.05 0.00 0.21 0.00 0.00 66.02 65.45 2eea s SER 67 CO -0.00 -0.33 0.16 0.00 0.41 0.00 0.00 173.24 173.48 2eea s ILE 69 N 1.68 2.57 0.61 0.00 1.01 -0.69 -5.01 121.20 121.38 2eea s ILE 69 Ca 0.07 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 2eea s ILE 69 Cb -0.16 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 2eea s ILE 69 CO 0.09 0.51 1.10 -0.62 0.00 0.00 0.00 174.94 176.02 2eea s ASP 70 N 1.12 5.45 0.36 3.58 2.15 -1.26 -2.71 116.67 125.36 2eea s ASP 70 Ca 0.01 2.01 0.08 0.00 0.43 0.00 0.00 52.55 55.07 2eea s ASP 70 Cb -0.14 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.87 2eea s ASP 70 CO -0.05 -1.40 0.12 0.20 -0.17 0.00 0.00 175.17 173.87 2eea s ASN 71 N -2.39 4.50 0.00 -0.34 0.02 -1.18 -4.95 114.94 110.60 2eea s ASN 71 Ca 0.68 -0.90 0.27 0.00 -1.02 0.00 0.00 52.86 51.89 2eea s ASN 71 Cb -0.20 -0.62 0.83 0.00 0.02 0.00 0.00 41.25 41.28 2eea s ASN 71 CO 0.36 -0.34 1.62 2.29 0.02 0.00 0.00 177.10 181.05 2eea n LYS 72 N -1.13 1.83 -0.11 -0.60 -0.00 -1.26 -4.04 118.16 112.85 2eea n LYS 72 Ca -0.03 -1.21 -0.14 0.00 -0.00 0.00 0.00 58.31 56.93 2eea n LYS 72 Cb 0.62 -1.47 -0.13 0.00 -0.00 0.00 0.00 35.03 34.05 2eea n LYS 72 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2eea n ASP 73 N 0.47 1.48 0.00 -5.58 8.00 -1.26 -5.01 116.55 114.64 2eea n ASP 73 Ca 0.18 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2eea n ASP 73 Cb 0.41 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2eea n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2eea n GLY 74 N 2.16 1.10 3.14 0.44 0.00 -1.26 -5.10 105.19 105.68 2eea n GLY 74 Ca -0.39 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 2eea n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2eea n THR 75 N 0.00 0.00 -3.61 2.61 -2.24 -1.26 -3.33 114.28 106.45 2eea n THR 75 Ca 0.00 -2.01 -0.22 0.00 -2.27 0.00 0.00 64.05 59.55 2eea n THR 75 Cb 0.00 0.29 -0.16 0.00 -2.10 0.00 0.00 70.33 68.36 2eea n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2eea s THR 77 N 2.20 4.96 -0.31 0.00 2.01 -1.10 -2.25 115.64 121.15 2eea s THR 77 Ca 0.04 -0.60 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 2eea s THR 77 Cb -0.14 -3.69 0.04 0.00 0.01 0.00 0.00 72.50 68.72 2eea s THR 77 CO -0.08 -0.17 0.04 -0.69 -0.69 0.00 0.00 174.62 173.03 2eea s VAL 78 N 1.64 3.37 -0.07 3.82 1.01 -1.00 -1.70 120.40 127.47 2eea s VAL 78 Ca 0.04 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 60.77 2eea s VAL 78 Cb -0.18 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2eea s VAL 78 CO 0.09 -0.10 0.13 -0.89 0.00 0.00 0.00 175.10 174.33 2eea s THR 79 N 1.34 5.29 0.05 3.92 2.01 -0.84 -2.19 115.64 125.22 2eea s THR 79 Ca -0.03 -0.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 2eea s THR 79 Cb -0.19 -3.36 -0.00 0.00 0.01 0.00 0.00 72.50 68.96 2eea s THR 79 CO 0.01 0.51 0.18 -0.72 -0.69 0.00 0.00 174.62 173.90 2eea s TYR 80 N -1.11 0.10 -0.20 4.92 1.13 -0.38 -2.42 117.35 119.39 2eea s TYR 80 Ca 0.19 -0.40 0.00 0.00 -1.41 0.00 0.00 57.07 55.46 2eea s TYR 80 Cb -0.12 -0.06 0.05 0.00 -1.10 0.00 0.00 41.96 40.73 2eea s TYR 80 CO 0.09 -0.45 -0.08 -1.17 -2.51 0.00 0.00 175.55 171.42 2eea s LEU 81 N -2.32 2.15 0.57 -3.49 2.96 -1.26 -2.98 118.68 114.31 2eea s LEU 81 Ca -0.02 -0.88 -0.18 0.00 -0.22 0.00 0.00 54.13 52.83 2eea s LEU 81 Cb 0.01 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 2eea s LEU 81 CO -0.06 -0.17 1.12 -2.16 -1.32 0.00 0.00 176.35 173.76 2eea s PRO 82 N 1.46 3.24 -0.11 0.98 0.04 -1.26 -4.58 135.00 134.77 2eea s PRO 82 Ca -0.01 1.56 0.12 0.00 0.04 0.00 0.00 61.00 62.71 2eea s PRO 82 Cb -0.16 -1.99 -0.17 0.00 0.04 0.00 0.00 34.50 32.22 2eea s PRO 82 CO -0.08 -0.93 0.09 2.41 0.04 0.00 0.00 177.00 178.53 2eea n THR 83 N -1.54 0.72 -3.82 1.26 -1.04 -1.26 -0.62 114.28 107.98 2eea n THR 83 Ca 0.11 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.50 2eea n THR 83 Cb 0.51 -0.52 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 2eea n THR 83 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2eea s LEU 84 N -4.77 1.30 -0.11 -4.42 1.43 -1.26 -4.62 118.68 106.23 2eea s LEU 84 Ca -0.06 0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 2eea s LEU 84 Cb 0.05 0.75 -0.04 0.00 0.03 0.00 0.00 46.19 46.97 2eea s LEU 84 CO 0.53 -0.21 1.53 -2.16 0.23 0.00 0.00 176.35 176.27 2eea s PRO 85 N -0.56 4.14 0.00 1.29 0.04 -1.26 -4.83 135.00 133.82 2eea s PRO 85 Ca -0.06 1.96 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2eea s PRO 85 Cb -0.04 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.57 2eea s PRO 85 CO 0.01 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.59 2eea n GLY 86 N 4.06 1.26 3.60 0.56 0.00 -1.24 -4.98 105.19 108.44 2eea n GLY 86 Ca 0.16 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 2eea n GLY 86 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2eea n ASP 87 N 0.00 3.30 -4.56 1.61 5.75 -1.26 -4.39 116.55 117.00 2eea n ASP 87 Ca 0.00 0.27 -0.42 0.00 -0.01 0.00 0.00 54.79 54.64 2eea n ASP 87 Cb 0.00 -1.54 -0.07 0.00 -1.03 0.00 0.00 41.12 38.48 2eea n ASP 87 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2eea s TYR 88 N 7.93 3.15 -0.79 2.11 2.02 -1.25 -4.61 117.35 125.92 2eea s TYR 88 Ca 1.00 0.22 -0.26 0.00 -0.37 0.00 0.00 57.07 57.66 2eea s TYR 88 Cb -0.37 -3.07 0.04 0.00 -0.40 0.00 0.00 41.96 38.16 2eea s TYR 88 CO 0.36 -0.62 1.28 -1.12 -1.57 0.00 0.00 175.55 173.89 2eea s SER 89 N 1.80 6.23 -0.11 2.29 0.01 -0.77 -3.68 113.70 119.47 2eea s SER 89 Ca 0.22 -0.70 -0.29 0.00 1.31 0.00 0.00 55.95 56.49 2eea s SER 89 Cb -0.15 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 2eea s SER 89 CO 0.15 -1.73 0.97 -0.63 0.41 0.00 0.00 173.24 172.40 2eea s ILE 90 N 5.41 4.81 -0.31 1.44 1.01 -0.96 -1.63 121.20 130.97 2eea s ILE 90 Ca 0.36 1.97 0.03 0.00 0.00 0.00 0.00 60.65 63.01 2eea s ILE 90 Cb -0.07 -4.28 0.09 0.00 0.01 0.00 0.00 42.46 38.20 2eea s ILE 90 CO 0.10 0.03 0.01 -0.76 0.00 0.00 0.00 174.94 174.31 2eea s LEU 91 N 1.93 4.02 -0.06 2.97 1.43 0.14 -2.71 118.68 126.40 2eea s LEU 91 Ca 0.47 -1.84 0.03 0.00 -1.03 0.00 0.00 54.13 51.76 2eea s LEU 91 Cb -0.18 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2eea s LEU 91 CO 0.18 -0.33 -0.15 -0.69 0.23 0.00 0.00 176.35 175.59 2eea s VAL 92 N 1.06 2.97 0.09 -1.59 1.01 -1.26 -0.84 120.40 121.83 2eea s VAL 92 Ca 0.05 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.33 2eea s VAL 92 Cb -0.19 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2eea s VAL 92 CO -0.09 0.58 -0.13 -0.54 0.00 0.00 0.00 175.10 174.92 2eea s LYS 93 N -0.53 0.86 -0.24 2.72 1.02 -0.66 -3.77 119.74 119.14 2eea s LYS 93 Ca 0.07 -1.04 -0.02 0.00 0.02 0.00 0.00 55.97 55.00 2eea s LYS 93 Cb -0.12 -0.78 0.07 0.00 -0.52 0.00 0.00 37.83 36.48 2eea s LYS 93 CO 0.01 0.16 0.04 -0.47 -0.92 0.00 0.00 175.35 174.17 2eea s TYR 94 N -1.65 1.50 -1.24 3.18 6.14 -0.09 -1.38 117.35 123.82 2eea s TYR 94 Ca 0.01 -1.29 -0.01 0.00 0.64 0.00 0.00 57.07 56.42 2eea s TYR 94 Cb -0.08 -1.33 0.00 0.00 0.42 0.00 0.00 41.96 40.97 2eea s TYR 94 CO 0.02 -0.72 0.96 0.09 0.64 0.00 0.00 175.55 176.54 2eea n ASN 95 N 4.92 -2.31 -2.60 4.32 3.02 -0.58 -2.02 115.26 120.00 2eea n ASN 95 Ca -0.08 -0.65 -0.19 0.00 -0.03 0.00 0.00 54.58 53.63 2eea n ASN 95 Cb 0.45 -4.90 0.03 0.00 -0.61 0.00 0.00 39.78 34.75 2eea n ASN 95 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2eea n ASP 96 N -3.10 -5.56 -3.31 6.41 8.00 -1.26 -4.98 116.55 112.74 2eea n ASP 96 Ca -0.26 -0.22 -0.07 0.00 0.71 0.00 0.00 54.79 54.95 2eea n ASP 96 Cb 0.66 -4.42 -0.07 0.00 -0.02 0.00 0.00 41.12 37.27 2eea n ASP 96 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2eea s LYS 97 N -5.48 0.39 0.95 -1.24 1.02 -0.86 -5.15 119.74 109.37 2eea s LYS 97 Ca 0.23 0.57 -0.12 0.00 0.02 0.00 0.00 55.97 56.68 2eea s LYS 97 Cb -0.10 -0.29 0.08 0.00 -0.52 0.00 0.00 37.83 37.00 2eea s LYS 97 CO 0.29 -0.68 0.66 0.72 -0.92 0.00 0.00 175.35 175.42 2eea n HIS 98 N 5.37 -0.66 -3.12 3.18 8.25 -1.26 -0.91 115.22 126.06 2eea n HIS 98 Ca -0.03 0.28 -0.25 0.00 -0.26 0.00 0.00 57.72 57.46 2eea n HIS 98 Cb 0.50 -1.85 -0.01 0.00 1.12 0.00 0.00 29.99 29.75 2eea n HIS 98 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2eea s ILE 99 N -2.48 5.04 -0.40 1.59 -4.36 -1.25 -4.76 121.20 114.58 2eea s ILE 99 Ca 0.60 -0.22 -0.28 0.00 -0.26 0.00 0.00 60.65 60.50 2eea s ILE 99 Cb -0.22 -3.86 -0.01 0.00 1.25 0.00 0.00 42.46 39.62 2eea s ILE 99 CO 0.64 -0.65 1.74 -2.16 0.24 0.00 0.00 174.94 174.75 2eea s PRO 100 N -4.43 3.24 0.00 0.37 0.04 -1.26 -2.77 135.00 130.18 2eea s PRO 100 Ca 0.43 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2eea s PRO 100 Cb -0.10 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2eea s PRO 100 CO 0.39 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 175.86 2eea n GLY 101 N 5.41 1.08 3.78 0.56 0.00 -1.26 -4.94 105.19 109.82 2eea n GLY 101 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2eea n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eea s SER 102 N -0.62 5.34 1.20 1.61 1.04 -1.11 -4.50 113.70 116.66 2eea s SER 102 Ca 0.00 1.95 -0.16 0.00 0.48 0.00 0.00 55.95 58.22 2eea s SER 102 Cb 0.00 -2.55 0.24 0.00 0.10 0.00 0.00 66.02 63.81 2eea s SER 102 CO 0.00 -1.47 0.86 -0.81 0.98 0.00 0.00 173.24 172.80 2eea n PRO 103 N -2.24 -2.71 -4.45 4.02 -0.04 -1.26 -4.98 135.00 123.34 2eea n PRO 103 Ca 0.10 -1.38 -0.22 0.00 -0.04 0.00 0.00 63.50 61.96 2eea n PRO 103 Cb 0.52 -1.29 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 2eea n PRO 103 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2eea s PHE 104 N -2.56 1.50 -0.24 0.54 0.40 -1.10 -4.98 117.98 111.53 2eea s PHE 104 Ca 0.56 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.53 2eea s PHE 104 Cb -0.06 -0.88 0.04 0.00 0.51 0.00 0.00 43.02 42.64 2eea s PHE 104 CO 0.43 0.07 -0.11 0.99 0.70 0.00 0.00 175.22 177.30 2eea s THR 105 N -0.88 2.38 -0.45 0.64 2.01 -1.26 -2.27 115.64 115.81 2eea s THR 105 Ca 0.04 -1.32 -0.13 0.00 0.31 0.00 0.00 61.69 60.58 2eea s THR 105 Cb -0.08 -2.27 0.08 0.00 0.01 0.00 0.00 72.50 70.23 2eea s THR 105 CO 0.02 0.14 0.35 0.00 -0.69 0.00 0.00 174.62 174.44 2eea s ALA 106 N 1.21 3.46 -0.49 7.40 0.00 -1.24 -4.70 121.76 127.41 2eea s ALA 106 Ca -0.04 -2.14 -0.27 0.00 0.00 0.00 0.00 51.96 49.52 2eea s ALA 106 Cb -0.18 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 2eea s ALA 106 CO -0.06 -1.71 2.04 0.15 0.00 0.00 0.00 175.76 176.18 2eea s LYS 107 N 1.56 2.65 -0.07 0.00 1.02 -0.98 -3.89 119.74 120.04 2eea s LYS 107 Ca 0.04 1.13 -0.01 0.00 0.02 0.00 0.00 55.97 57.15 2eea s LYS 107 Cb -0.24 -4.41 -0.03 0.00 -0.52 0.00 0.00 37.83 32.63 2eea s LYS 107 CO 0.05 -2.67 -0.01 0.42 -0.92 0.00 0.00 175.35 172.22 2eea s ILE 108 N 9.51 4.18 0.38 2.17 1.01 -1.26 -1.85 121.20 135.34 2eea s ILE 108 Ca 0.81 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.11 2eea s ILE 108 Cb -0.18 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.53 2eea s ILE 108 CO 0.26 0.56 0.00 0.35 0.00 0.00 0.00 174.94 176.11 2eea n THR 109 N 2.00 0.00 -4.66 2.92 -2.24 -1.08 -3.72 114.28 107.51 2eea n THR 109 Ca -0.18 -1.81 -0.33 0.00 -2.27 0.00 0.00 64.05 59.47 2eea n THR 109 Cb 0.53 0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 68.98 2eea n THR 109 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2eea s ASP 110 N -3.11 4.28 -1.17 3.42 1.47 -1.26 -1.68 116.67 118.63 2eea s ASP 110 Ca 0.00 -0.25 -0.10 0.00 1.18 0.00 0.00 52.55 53.38 2eea s ASP 110 Cb -0.00 -1.64 0.23 0.00 -0.34 0.00 0.00 42.92 41.17 2eea s ASP 110 CO 0.00 0.18 1.33 -0.90 0.68 0.00 0.00 175.17 176.46 2eea n ASP 111 N 3.46 5.45 -4.38 2.11 5.75 -1.26 -4.94 116.55 122.75 2eea n ASP 111 Ca -0.18 -3.05 -0.45 0.00 -0.01 0.00 0.00 54.79 51.10 2eea n ASP 111 Cb 0.53 -1.45 -0.00 0.00 -1.03 0.00 0.00 41.12 39.16 2eea n ASP 111 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2eea s SER 112 N 1.61 7.22 0.24 -1.12 0.15 -1.26 -5.00 113.70 115.54 2eea s SER 112 Ca 0.36 -3.36 0.10 0.00 0.70 0.00 0.00 55.95 53.75 2eea s SER 112 Cb -0.04 -2.27 -0.05 0.00 -1.71 0.00 0.00 66.02 61.95 2eea s SER 112 CO -0.03 -0.44 -0.18 0.00 1.20 0.00 0.00 173.24 173.80 2eea s ARG 113 N -0.35 1.50 0.25 5.44 1.70 -1.26 -5.04 118.95 121.19 2eea s ARG 113 Ca 0.33 -1.67 -0.05 0.00 -0.47 0.00 0.00 55.73 53.87 2eea s ARG 113 Cb -0.08 -1.47 0.28 0.00 -0.57 0.00 0.00 34.95 33.12 2eea s ARG 113 CO -0.06 0.27 1.92 0.07 -1.08 0.00 0.00 175.30 176.41 2eea h ARG 114 N 2.47 1.28 0.00 3.89 0.11 -2.06 -3.57 114.38 116.49 2eea h ARG 114 Ca -0.39 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2eea h ARG 114 Cb 1.24 -0.29 0.00 0.00 1.11 0.00 0.00 29.97 32.03 2eea h ARG 114 CO 0.60 0.85 0.00 0.00 0.10 0.00 0.00 179.97 181.52