#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5n s SER 2 N 0.00 -0.29 0.41 1.61 0.01 -1.26 -5.18 113.70 109.00 1x5n s SER 2 Ca 0.00 -0.51 0.07 0.00 1.31 0.00 0.00 55.95 56.82 1x5n s SER 2 Cb 0.00 0.66 -0.07 0.00 0.21 0.00 0.00 66.02 66.81 1x5n s SER 2 CO 0.00 -1.19 0.05 -0.44 0.41 0.00 0.00 173.24 172.07 1x5n s SER 3 N -2.89 4.00 0.11 2.44 0.01 -1.26 -5.16 113.70 110.95 1x5n s SER 3 Ca 0.10 -1.30 -0.01 0.00 1.31 0.00 0.00 55.95 56.05 1x5n s SER 3 Cb -0.03 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 1x5n s SER 3 CO 0.02 -0.47 0.03 -0.83 0.41 0.00 0.00 173.24 172.40 1x5n s GLY 4 N -3.75 0.84 -0.14 3.44 0.00 -1.26 -5.17 107.32 101.28 1x5n s GLY 4 Ca 0.36 -1.40 -0.12 0.00 0.00 0.00 0.00 44.72 43.57 1x5n s GLY 4 CO 0.19 -1.35 0.38 -0.56 0.00 0.00 0.00 173.10 171.75 1x5n s SER 5 N -3.01 -0.41 -0.20 1.64 0.01 -1.26 -5.04 113.70 105.44 1x5n s SER 5 Ca 0.19 0.77 0.12 0.00 1.31 0.00 0.00 55.95 58.34 1x5n s SER 5 Cb 0.08 0.75 0.42 0.00 0.21 0.00 0.00 66.02 67.48 1x5n s SER 5 CO -0.02 -0.14 1.21 -1.54 0.41 0.00 0.00 173.24 173.17 1x5n n SER 6 N 3.20 1.78 -4.30 2.44 3.41 -1.26 -5.02 113.62 113.87 1x5n n SER 6 Ca -0.16 -3.75 -0.26 0.00 -0.26 0.00 0.00 58.87 54.44 1x5n n SER 6 Cb 0.57 -0.50 -0.13 0.00 -0.26 0.00 0.00 64.21 63.88 1x5n n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5n s GLY 7 N -3.16 1.27 -0.04 5.00 0.00 -1.26 -5.14 107.32 104.00 1x5n s GLY 7 Ca 0.38 -1.22 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 1x5n s GLY 7 CO -0.07 -1.17 0.00 -1.35 0.00 0.00 0.00 173.10 170.51 1x5n s SER 8 N -1.56 0.79 1.12 1.64 1.04 -1.26 -5.15 113.70 110.31 1x5n s SER 8 Ca 0.09 -0.03 -0.18 0.00 0.48 0.00 0.00 55.95 56.30 1x5n s SER 8 Cb -0.10 -0.27 0.26 0.00 0.10 0.00 0.00 66.02 66.01 1x5n s SER 8 CO 0.03 -0.13 1.17 -0.81 0.98 0.00 0.00 173.24 174.49 1x5n n PRO 9 N 4.46 -2.15 0.00 4.02 -0.04 -1.26 -5.07 135.00 134.96 1x5n n PRO 9 Ca -0.20 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 1x5n n PRO 9 Cb 0.50 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1x5n n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x5n n GLY 10 N -3.96 0.37 1.33 0.55 0.00 -1.26 -5.16 105.19 97.07 1x5n n GLY 10 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1x5n n GLY 10 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x5n n ASN 11 N -0.14 -7.27 0.03 1.61 4.13 -1.26 -5.03 115.26 107.33 1x5n n ASN 11 Ca 0.00 1.26 0.00 0.00 1.68 0.00 0.00 54.58 57.52 1x5n n ASN 11 Cb 0.00 -3.98 0.00 0.00 -1.54 0.00 0.00 39.78 34.26 1x5n n ASN 11 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1x5n n ARG 12 N -1.53 0.00 -0.99 3.52 1.74 -1.26 -5.16 116.66 112.98 1x5n n ARG 12 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1x5n n ARG 12 Cb 0.16 -0.23 0.00 0.00 -1.02 0.00 0.00 32.46 31.37 1x5n n ARG 12 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1x5n n GLU 13 N -2.97 -2.81 0.01 5.56 1.02 -1.26 -5.07 120.64 115.11 1x5n n GLU 13 Ca 0.00 2.08 0.00 0.00 -0.02 0.00 0.00 57.16 59.22 1x5n n GLU 13 Cb 0.16 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 1x5n n GLU 13 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1x5n n ASN 14 N -0.65 -0.10 -4.85 1.62 5.15 -1.26 -5.15 115.26 110.02 1x5n n ASN 14 Ca 0.00 0.07 -0.22 0.00 -0.60 0.00 0.00 54.58 53.83 1x5n n ASN 14 Cb 0.00 0.22 -0.04 0.00 -0.53 0.00 0.00 39.78 39.43 1x5n n ASN 14 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1x5n s LYS 15 N -1.12 2.43 -0.24 1.20 -2.85 -1.26 -4.87 119.74 113.04 1x5n s LYS 15 Ca 0.00 -1.66 -0.05 0.00 -1.00 0.00 0.00 55.97 53.26 1x5n s LYS 15 Cb 0.00 -2.27 0.01 0.00 -2.06 0.00 0.00 37.83 33.51 1x5n s LYS 15 CO 0.00 -0.24 0.13 0.39 0.10 0.00 0.00 175.35 175.73 1x5n n GLU 16 N -1.52 -2.29 -4.67 1.78 1.02 -1.25 -4.95 120.64 108.77 1x5n n GLU 16 Ca 0.02 2.01 -0.32 0.00 -0.02 0.00 0.00 57.16 58.85 1x5n n GLU 16 Cb 0.63 -3.87 -0.12 0.00 -0.02 0.00 0.00 31.44 28.06 1x5n n GLU 16 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1x5n s LYS 17 N -1.64 2.38 -0.17 3.49 -2.85 0.01 -4.97 119.74 115.99 1x5n s LYS 17 Ca 0.06 -0.80 -0.15 0.00 -1.00 0.00 0.00 55.97 54.09 1x5n s LYS 17 Cb -0.01 -2.36 -0.04 0.00 -2.06 0.00 0.00 37.83 33.36 1x5n s LYS 17 CO 0.56 0.59 0.33 0.21 0.10 0.00 0.00 175.35 177.14 1x5n s LYS 18 N -1.20 4.25 -0.06 1.78 2.36 -1.26 -1.71 119.74 123.89 1x5n s LYS 18 Ca 0.14 0.15 0.02 0.00 -2.55 0.00 0.00 55.97 53.73 1x5n s LYS 18 Cb -0.11 -3.45 0.01 0.00 -1.05 0.00 0.00 37.83 33.23 1x5n s LYS 18 CO 0.04 0.16 -0.12 0.14 1.55 0.00 0.00 175.35 177.13 1x5n s VAL 19 N 0.68 1.10 -0.30 4.02 -7.23 0.30 -5.00 120.40 113.98 1x5n s VAL 19 Ca 0.18 -0.46 -0.08 0.00 -1.81 0.00 0.00 61.98 59.81 1x5n s VAL 19 Cb -0.14 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.80 1x5n s VAL 19 CO 0.05 0.35 0.10 0.12 -0.31 0.00 0.00 175.10 175.41 1x5n s PHE 20 N 0.64 3.15 -0.35 2.82 2.19 -1.26 0.20 117.98 125.37 1x5n s PHE 20 Ca -0.14 -0.87 -0.11 0.00 0.33 0.00 0.00 56.93 56.14 1x5n s PHE 20 Cb -0.15 -2.28 0.01 0.00 -1.31 0.00 0.00 43.02 39.29 1x5n s PHE 20 CO 0.03 -0.54 0.20 0.42 1.83 0.00 0.00 175.22 177.16 1x5n s ILE 21 N 1.53 4.74 -0.11 3.12 -1.09 0.67 -4.94 121.20 125.12 1x5n s ILE 21 Ca 0.03 -0.62 -0.04 0.00 -2.23 0.00 0.00 60.65 57.80 1x5n s ILE 21 Cb -0.17 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1x5n s ILE 21 CO 0.03 -0.12 0.04 -0.55 -1.23 0.00 0.00 174.94 173.12 1x5n s SER 22 N 1.61 5.51 -0.56 3.58 0.15 -1.25 -1.41 113.70 121.32 1x5n s SER 22 Ca 0.04 0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.92 1x5n s SER 22 Cb -0.18 -1.70 0.33 0.00 -1.71 0.00 0.00 66.02 62.76 1x5n s SER 22 CO 0.07 0.33 0.91 0.18 1.20 0.00 0.00 173.24 175.94 1x5n n LEU 23 N 2.46 4.03 -0.08 3.45 7.99 -1.03 -4.72 117.00 129.09 1x5n n LEU 23 Ca -0.18 -5.59 -0.09 0.00 -0.01 0.00 0.00 56.01 50.13 1x5n n LEU 23 Cb 0.54 -0.43 -0.12 0.00 -0.11 0.00 0.00 43.42 43.30 1x5n n LEU 23 CO 0.30 2.33 -1.04 1.33 -1.51 0.00 0.00 177.39 178.80 1x5n n VAL 24 N -0.10 1.10 -1.75 4.08 0.24 -1.26 -4.75 118.33 115.88 1x5n n VAL 24 Ca 0.30 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1x5n n VAL 24 Cb 0.42 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 1x5n n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5n n GLY 25 N 2.10 5.20 3.02 7.63 0.00 -1.26 -5.13 105.19 116.75 1x5n n GLY 25 Ca -0.27 -1.57 -0.19 0.00 0.00 0.00 0.00 46.02 43.98 1x5n n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5n n SER 26 N 0.00 -2.86 -1.62 1.61 2.88 -1.26 -4.76 113.62 107.61 1x5n n SER 26 Ca 0.00 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 1x5n n SER 26 Cb 0.00 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1x5n n SER 26 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x5n n ARG 27 N -1.26 -4.27 -2.54 -1.46 5.12 -1.26 -4.92 116.66 106.07 1x5n n ARG 27 Ca 0.04 3.11 -0.10 0.00 -1.93 0.00 0.00 57.85 58.98 1x5n n ARG 27 Cb 0.38 -3.30 0.04 0.00 -1.16 0.00 0.00 32.46 28.42 1x5n n ARG 27 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x5n n GLY 28 N 1.03 3.49 2.09 -0.13 0.00 -1.26 -4.83 105.19 105.59 1x5n n GLY 28 Ca 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 46.02 44.33 1x5n n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x5n n LEU 29 N -0.60 -5.59 -1.41 0.99 7.94 -1.26 -4.91 117.00 112.16 1x5n n LEU 29 Ca 0.21 2.18 -0.06 0.00 -1.11 0.00 0.00 56.01 57.23 1x5n n LEU 29 Cb 0.85 -2.77 0.22 0.00 0.53 0.00 0.00 43.42 42.25 1x5n n LEU 29 CO 0.21 -2.41 0.84 0.61 -1.11 0.00 0.00 177.39 175.53 1x5n n GLY 30 N 1.42 4.57 3.35 -3.96 0.00 -1.26 -4.91 105.19 104.41 1x5n n GLY 30 Ca -0.04 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 1x5n n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5n s SER 32 N -1.56 5.54 0.06 0.00 0.15 -0.12 -4.95 113.70 112.83 1x5n s SER 32 Ca 0.12 0.22 0.03 0.00 0.70 0.00 0.00 55.95 57.02 1x5n s SER 32 Cb -0.10 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.55 1x5n s SER 32 CO 0.04 0.38 0.06 0.27 1.20 0.00 0.00 173.24 175.18 1x5n s ILE 33 N -0.94 4.44 0.36 6.45 -4.36 -1.26 0.19 121.20 126.07 1x5n s ILE 33 Ca 0.14 -0.74 0.06 0.00 -0.26 0.00 0.00 60.65 59.86 1x5n s ILE 33 Cb -0.12 -3.11 -0.07 0.00 1.25 0.00 0.00 42.46 40.42 1x5n s ILE 33 CO 0.03 0.18 0.00 -0.94 0.24 0.00 0.00 174.94 174.46 1x5n s SER 34 N -2.21 3.23 -0.20 4.36 1.04 0.38 -4.76 113.70 115.55 1x5n s SER 34 Ca 0.27 -1.33 -0.05 0.00 0.48 0.00 0.00 55.95 55.32 1x5n s SER 34 Cb -0.12 -0.26 -0.02 0.00 0.10 0.00 0.00 66.02 65.71 1x5n s SER 34 CO 0.19 -0.46 -0.01 -0.94 0.98 0.00 0.00 173.24 173.01 1x5n s SER 35 N -3.59 4.76 0.78 7.02 1.04 -1.26 -2.51 113.70 119.93 1x5n s SER 35 Ca 0.34 -0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.44 1x5n s SER 35 Cb 0.08 -1.81 0.06 0.00 0.10 0.00 0.00 66.02 64.45 1x5n s SER 35 CO 0.16 0.06 1.09 -0.83 0.98 0.00 0.00 173.24 174.70 1x5n s GLY 36 N 1.01 1.64 0.11 7.32 0.00 -1.17 -4.95 107.32 111.27 1x5n s GLY 36 Ca 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.63 1x5n s GLY 36 CO 0.01 0.31 0.12 -1.55 0.00 0.00 0.00 173.10 171.99 1x5n n PRO 37 N -3.40 -0.67 0.13 2.90 -0.04 -1.09 -4.45 135.00 128.38 1x5n n PRO 37 Ca 0.07 -0.19 -0.02 0.00 -0.04 0.00 0.00 63.50 63.32 1x5n n PRO 37 Cb 0.55 -0.15 0.15 0.00 -0.04 0.00 0.00 33.50 34.01 1x5n n PRO 37 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1x5n h ILE 38 N -1.35 1.46 0.00 0.52 2.10 -1.97 0.61 117.51 118.88 1x5n h ILE 38 Ca -0.04 -2.20 -0.18 0.00 1.08 0.00 0.00 64.86 63.52 1x5n h ILE 38 Cb 0.12 2.18 -0.03 0.00 -1.09 0.00 0.00 36.82 38.01 1x5n h ILE 38 CO 0.03 0.63 -0.88 0.06 -1.08 0.00 0.00 178.15 176.91 1x5n h GLN 39 N 0.01 0.00 -2.02 2.19 3.07 -2.04 -3.36 115.11 112.96 1x5n h GLN 39 Ca -0.01 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.23 1x5n h GLN 39 Cb 1.14 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.30 1x5n h GLN 39 CO 0.08 0.88 -1.14 1.17 0.09 0.00 0.00 178.83 179.91 1x5n n LYS 40 N -3.49 1.03 -2.53 0.06 4.81 -1.11 -5.11 118.16 111.81 1x5n n LYS 40 Ca -0.00 -3.43 -0.37 0.00 -0.87 0.00 0.00 58.31 53.64 1x5n n LYS 40 Cb 0.84 -1.61 -0.04 0.00 0.02 0.00 0.00 35.03 34.23 1x5n n LYS 40 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1x5n s PRO 41 N -2.15 4.18 0.00 1.64 0.04 0.21 -2.68 135.00 136.24 1x5n s PRO 41 Ca 0.39 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1x5n s PRO 41 Cb 0.30 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1x5n s PRO 41 CO -0.09 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.23 1x5n n GLY 42 N 0.39 -0.23 2.78 0.56 0.00 -1.24 -4.69 105.19 102.76 1x5n n GLY 42 Ca 0.05 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1x5n n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5n s ILE 43 N -3.82 0.52 0.11 -0.61 -1.09 -1.26 -3.05 121.20 112.01 1x5n s ILE 43 Ca 0.00 -0.20 0.08 0.00 -2.23 0.00 0.00 60.65 58.30 1x5n s ILE 43 Cb 0.00 -0.80 -0.04 0.00 -1.58 0.00 0.00 42.46 40.05 1x5n s ILE 43 CO 0.00 0.09 -0.21 -0.36 -1.23 0.00 0.00 174.94 173.23 1x5n s PHE 44 N 1.89 1.84 0.19 3.97 0.40 -1.04 0.21 117.98 125.44 1x5n s PHE 44 Ca 0.03 -0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 55.64 1x5n s PHE 44 Cb -0.14 -1.00 -0.08 0.00 0.51 0.00 0.00 43.02 42.31 1x5n s PHE 44 CO -0.07 0.23 1.09 0.42 0.70 0.00 0.00 175.22 177.59 1x5n s ILE 45 N -1.24 3.83 -0.26 0.64 1.01 -1.18 0.14 121.20 124.15 1x5n s ILE 45 Ca 0.08 1.63 0.01 0.00 0.00 0.00 0.00 60.65 62.37 1x5n s ILE 45 Cb -0.10 -4.04 -0.17 0.00 0.01 0.00 0.00 42.46 38.17 1x5n s ILE 45 CO 0.05 0.30 -0.23 -1.54 0.00 0.00 0.00 174.94 173.51 1x5n n SER 46 N 2.16 1.98 -3.92 3.58 3.41 0.50 -2.94 113.62 118.41 1x5n n SER 46 Ca 0.02 -0.12 -0.09 0.00 -0.26 0.00 0.00 58.87 58.42 1x5n n SER 46 Cb 0.46 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 63.91 1x5n n SER 46 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1x5n s HIS 47 N -2.52 0.28 -0.14 7.33 5.65 -1.17 -4.85 115.29 119.88 1x5n s HIS 47 Ca -0.35 -0.70 -0.04 0.00 0.25 0.00 0.00 55.06 54.22 1x5n s HIS 47 Cb 0.09 -0.10 0.07 0.00 -1.18 0.00 0.00 32.58 31.47 1x5n s HIS 47 CO 0.59 -0.59 0.21 0.08 -0.65 0.00 0.00 174.74 174.39 1x5n s VAL 48 N -3.91 -0.33 0.73 0.89 1.01 -1.26 -0.95 120.40 116.58 1x5n s VAL 48 Ca 0.10 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 1x5n s VAL 48 Cb 0.05 -0.47 0.04 0.00 0.00 0.00 0.00 36.38 35.99 1x5n s VAL 48 CO -0.07 0.02 1.13 -0.54 0.00 0.00 0.00 175.10 175.64 1x5n s LYS 49 N 2.34 2.35 -0.10 2.72 1.02 0.16 -4.95 119.74 123.29 1x5n s LYS 49 Ca 0.04 1.42 -0.30 0.00 0.02 0.00 0.00 55.97 57.15 1x5n s LYS 49 Cb -0.13 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1x5n s LYS 49 CO -0.09 -1.60 1.24 -1.25 -0.92 0.00 0.00 175.35 172.73 1x5n s PRO 50 N -4.32 4.29 -0.86 -1.68 0.04 -1.26 -2.69 135.00 128.52 1x5n s PRO 50 Ca 0.67 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1x5n s PRO 50 Cb -0.21 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1x5n s PRO 50 CO 0.48 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1x5n n GLY 51 N 3.50 0.74 1.15 0.56 0.00 -1.26 -5.01 105.19 104.87 1x5n n GLY 51 Ca 0.12 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1x5n n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5n n SER 52 N 0.54 -1.25 0.14 1.61 3.41 -1.09 -4.70 113.62 112.27 1x5n n SER 52 Ca -0.09 -0.75 0.13 0.00 -0.26 0.00 0.00 58.87 57.90 1x5n n SER 52 Cb 0.37 -0.33 0.37 0.00 -0.26 0.00 0.00 64.21 64.36 1x5n n SER 52 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1x5n h LEU 53 N 0.00 0.00 0.06 1.04 5.85 -1.91 -2.02 115.31 118.33 1x5n h LEU 53 Ca -0.14 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.21 1x5n h LEU 53 Cb 0.41 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1x5n h LEU 53 CO 0.09 0.00 -2.22 -1.54 -0.34 0.00 0.00 178.44 174.43 1x5n n SER 54 N -2.46 1.98 -0.20 1.25 3.41 -1.26 -4.02 113.62 112.32 1x5n n SER 54 Ca 0.05 0.05 -0.10 0.00 -0.26 0.00 0.00 58.87 58.61 1x5n n SER 54 Cb 0.43 -0.59 0.02 0.00 -0.26 0.00 0.00 64.21 63.81 1x5n n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5n h ALA 55 N 0.08 0.76 -0.89 7.33 0.00 -1.71 1.28 119.26 126.12 1x5n h ALA 55 Ca -0.50 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 54.23 1x5n h ALA 55 Cb 1.98 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 1x5n h ALA 55 CO 0.01 0.62 0.57 1.05 0.00 0.00 0.00 179.25 181.50 1x5n h GLU 56 N 0.90 0.70 0.00 0.00 4.11 -1.55 0.21 114.58 118.96 1x5n h GLU 56 Ca 0.15 -0.04 -0.15 0.00 0.07 0.00 0.00 59.36 59.39 1x5n h GLU 56 Cb 0.59 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1x5n h GLU 56 CO 0.04 0.46 -0.87 -0.39 0.07 0.00 0.00 179.01 178.32 1x5n h VAL 57 N 0.72 1.01 0.00 -1.06 -1.51 -1.60 -3.48 116.25 110.34 1x5n h VAL 57 Ca 0.44 -2.51 0.00 0.00 -1.23 0.00 0.00 66.70 63.40 1x5n h VAL 57 Cb 0.66 2.46 0.00 0.00 -2.13 0.00 0.00 31.29 32.28 1x5n h VAL 57 CO -0.20 0.57 0.00 0.61 -1.23 0.00 0.00 177.57 177.32 1x5n n GLY 58 N 1.31 1.22 3.85 5.19 0.00 0.74 -5.09 105.19 112.40 1x5n n GLY 58 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1x5n n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5n s LEU 59 N 0.00 4.42 0.26 0.99 1.43 0.42 -4.95 118.68 121.25 1x5n s LEU 59 Ca 0.00 0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1x5n s LEU 59 Cb 0.00 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 1x5n s LEU 59 CO 0.00 0.26 0.30 -1.61 0.23 0.00 0.00 176.35 175.53 1x5n s GLU 60 N -1.42 1.51 0.24 1.70 2.02 -1.26 -4.13 118.70 117.35 1x5n s GLU 60 Ca 0.28 -1.64 -0.31 0.00 0.02 0.00 0.00 54.97 53.31 1x5n s GLU 60 Cb -0.16 0.36 -0.12 0.00 0.10 0.00 0.00 34.13 34.31 1x5n s GLU 60 CO 0.15 -0.57 1.68 -0.89 0.02 0.00 0.00 175.26 175.65 1x5n n ILE 61 N -0.41 0.37 0.00 -1.63 5.41 -1.26 -2.35 119.36 119.48 1x5n n ILE 61 Ca 0.02 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1x5n n ILE 61 Cb 0.64 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 1x5n n ILE 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x5n n GLY 62 N 3.30 3.11 3.51 7.39 0.00 -1.15 -4.71 105.19 116.64 1x5n n GLY 62 Ca 0.13 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1x5n n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5n n ASP 63 N 0.29 0.24 -4.67 1.61 8.00 -0.99 -2.14 116.55 118.90 1x5n n ASP 63 Ca 0.00 -0.28 -0.42 0.00 0.71 0.00 0.00 54.79 54.81 1x5n n ASP 63 Cb 0.00 -0.98 -0.03 0.00 -0.02 0.00 0.00 41.12 40.09 1x5n n ASP 63 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1x5n s GLN 64 N 8.33 4.29 -0.38 -1.24 0.74 -1.26 -3.08 119.66 127.06 1x5n s GLN 64 Ca 1.25 1.13 -0.29 0.00 0.05 0.00 0.00 55.36 57.51 1x5n s GLN 64 Cb -0.88 -3.59 0.00 0.00 1.10 0.00 0.00 33.01 29.64 1x5n s GLN 64 CO 0.44 -0.42 1.49 0.42 -0.55 0.00 0.00 175.29 176.68 1x5n s ILE 65 N 2.45 3.82 -0.07 -2.34 1.09 0.55 -3.46 121.20 123.24 1x5n s ILE 65 Ca 0.40 0.85 0.21 0.00 -1.10 0.00 0.00 60.65 61.01 1x5n s ILE 65 Cb -0.16 -4.07 -0.32 0.00 -1.06 0.00 0.00 42.46 36.85 1x5n s ILE 65 CO 0.11 -0.66 0.39 1.33 -0.10 0.00 0.00 174.94 176.01 1x5n n VAL 66 N 7.07 0.33 -3.67 2.92 0.24 -0.64 -4.07 118.33 120.51 1x5n n VAL 66 Ca 0.18 -0.58 -0.13 0.00 -2.04 0.00 0.00 64.34 61.76 1x5n n VAL 66 Cb 0.48 -0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.67 1x5n n VAL 66 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1x5n s GLU 67 N -3.28 0.89 -0.23 7.34 2.12 -1.13 -2.12 118.70 122.30 1x5n s GLU 67 Ca -0.08 -0.32 -0.05 0.00 0.36 0.00 0.00 54.97 54.88 1x5n s GLU 67 Cb 0.12 0.40 0.12 0.00 0.26 0.00 0.00 34.13 35.03 1x5n s GLU 67 CO 0.89 -0.30 0.43 0.08 -0.54 0.00 0.00 175.26 175.82 1x5n s VAL 68 N -2.27 -0.68 -1.75 3.70 1.01 -0.52 0.06 120.40 119.96 1x5n s VAL 68 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1x5n s VAL 68 Cb -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1x5n s VAL 68 CO -0.01 -0.02 0.00 -3.20 0.00 0.00 0.00 175.10 171.87 1x5n n ASN 69 N 5.39 -4.50 0.00 3.32 2.85 0.55 0.14 115.26 123.01 1x5n n ASN 69 Ca -0.06 0.41 0.00 0.00 -0.11 0.00 0.00 54.58 54.82 1x5n n ASN 69 Cb 0.50 -4.02 0.00 0.00 1.24 0.00 0.00 39.78 37.50 1x5n n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5n n GLY 70 N -0.28 0.86 3.81 8.20 0.00 -1.26 -4.87 105.19 111.64 1x5n n GLY 70 Ca -0.16 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1x5n n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5n s VAL 71 N -2.00 4.86 -0.93 1.61 1.01 0.36 -4.99 120.40 120.32 1x5n s VAL 71 Ca 0.00 1.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.84 1x5n s VAL 71 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1x5n s VAL 71 CO 0.00 0.54 1.67 -0.62 0.00 0.00 0.00 175.10 176.68 1x5n s ASP 72 N -0.92 5.85 -0.04 3.32 -1.08 -1.26 -1.43 116.67 121.11 1x5n s ASP 72 Ca 0.27 -0.97 0.12 0.00 -0.52 0.00 0.00 52.55 51.45 1x5n s ASP 72 Cb -0.18 -2.56 0.43 0.00 -1.46 0.00 0.00 42.92 39.15 1x5n s ASP 72 CO 0.17 -2.09 1.31 0.49 0.52 0.00 0.00 175.17 175.58 1x5n n PHE 73 N 11.22 0.81 0.43 -5.34 3.01 -0.90 -4.33 117.46 122.35 1x5n n PHE 73 Ca 0.33 -0.35 -0.19 0.00 1.01 0.00 0.00 57.45 58.26 1x5n n PHE 73 Cb 0.49 -0.10 -0.09 0.00 -0.01 0.00 0.00 39.48 39.77 1x5n n PHE 73 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5n h SER 74 N 2.60 -0.91 -2.25 4.37 0.87 -1.69 -3.31 113.55 113.23 1x5n h SER 74 Ca 0.00 0.02 -0.60 0.00 -1.23 0.00 0.00 61.79 59.98 1x5n h SER 74 Cb 0.84 0.23 -0.41 0.00 -0.44 0.00 0.00 62.40 62.63 1x5n h SER 74 CO 0.09 -0.63 -0.56 -0.46 -0.53 0.00 0.00 176.83 174.74 1x5n n ASN 75 N -5.54 4.66 -1.68 6.23 6.94 -1.26 -3.66 115.26 120.96 1x5n n ASN 75 Ca -0.15 -3.69 0.00 0.00 -0.02 0.00 0.00 54.58 50.72 1x5n n ASN 75 Cb 0.43 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 1x5n n ASN 75 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1x5n n LEU 76 N -0.25 0.00 -4.38 -4.53 4.77 -1.24 -4.99 117.00 106.37 1x5n n LEU 76 Ca 0.32 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.11 1x5n n LEU 76 Cb 0.40 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 1x5n n LEU 76 CO 0.35 -0.37 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.17 1x5n s ASP 77 N -1.00 1.74 0.00 -1.43 2.15 -1.26 -4.63 116.67 112.23 1x5n s ASP 77 Ca 0.00 -1.41 0.17 0.00 0.43 0.00 0.00 52.55 51.74 1x5n s ASP 77 Cb 0.00 0.11 0.83 0.00 -0.30 0.00 0.00 42.92 43.56 1x5n s ASP 77 CO 0.00 -0.71 1.53 1.57 -0.17 0.00 0.00 175.17 177.39 1x5n n HIS 78 N -0.58 0.00 -0.08 -5.34 -0.00 -1.26 0.51 115.22 108.47 1x5n n HIS 78 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.61 1x5n n HIS 78 Cb 0.66 -0.36 -0.08 0.00 -0.00 0.00 0.00 29.99 30.21 1x5n n HIS 78 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1x5n n LYS 79 N -1.36 0.70 0.08 1.57 4.81 -1.26 -3.85 118.16 118.85 1x5n n LYS 79 Ca 0.07 0.07 -0.17 0.00 -0.87 0.00 0.00 58.31 57.41 1x5n n LYS 79 Cb 0.16 -1.33 -0.09 0.00 0.02 0.00 0.00 35.03 33.79 1x5n n LYS 79 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x5n h GLU 80 N 0.00 0.49 -0.10 1.64 4.39 -1.89 0.26 114.58 119.37 1x5n h GLU 80 Ca -0.36 -0.60 -0.17 0.00 0.34 0.00 0.00 59.36 58.57 1x5n h GLU 80 Cb 1.61 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 30.44 1x5n h GLU 80 CO -0.04 1.23 -0.65 0.00 -1.16 0.00 0.00 179.01 178.39 1x5n h ALA 81 N 0.54 0.70 0.07 3.43 0.00 -0.19 -0.52 119.26 123.30 1x5n h ALA 81 Ca -0.13 -0.57 -0.22 0.00 0.00 0.00 0.00 54.91 54.00 1x5n h ALA 81 Cb 1.75 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.49 1x5n h ALA 81 CO 0.20 0.74 -0.90 0.28 0.00 0.00 0.00 179.25 179.56 1x5n h VAL 82 N 0.28 1.38 -0.42 0.00 2.07 -1.66 -0.26 116.25 117.65 1x5n h VAL 82 Ca -0.01 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1x5n h VAL 82 Cb 1.19 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 33.69 1x5n h VAL 82 CO 0.11 0.68 0.27 -1.13 0.02 0.00 0.00 177.57 177.52 1x5n h ASN 83 N 0.01 0.49 0.45 0.57 -1.24 -0.46 1.56 115.58 116.95 1x5n h ASN 83 Ca -0.13 -0.03 -0.12 0.00 0.71 0.00 0.00 56.30 56.73 1x5n h ASN 83 Cb 1.62 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 40.53 1x5n h ASN 83 CO 0.17 0.37 -0.52 0.58 -1.29 0.00 0.00 177.43 176.74 1x5n h VAL 84 N 0.56 1.37 -0.01 2.57 2.07 -1.15 0.39 116.25 122.05 1x5n h VAL 84 Ca 0.15 -1.79 -0.19 0.00 0.82 0.00 0.00 66.70 65.69 1x5n h VAL 84 Cb -0.05 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1x5n h VAL 84 CO -0.03 0.52 -0.84 -0.07 0.02 0.00 0.00 177.57 177.17 1x5n h LEU 85 N 0.07 0.28 -0.92 2.57 3.38 -0.06 -2.87 115.31 117.76 1x5n h LEU 85 Ca -0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1x5n h LEU 85 Cb 0.95 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1x5n h LEU 85 CO 0.07 1.00 -0.10 2.29 0.09 0.00 0.00 178.44 181.79 1x5n n LYS 86 N -3.70 1.46 0.05 1.13 2.85 0.53 -4.36 118.16 116.12 1x5n n LYS 86 Ca -0.04 -0.92 -0.03 0.00 -1.05 0.00 0.00 58.31 56.27 1x5n n LYS 86 Cb 0.78 -1.48 -0.02 0.00 -0.65 0.00 0.00 35.03 33.66 1x5n n LYS 86 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1x5n h SER 87 N 2.25 -0.25 -0.90 -5.58 0.87 0.01 -3.46 113.55 106.50 1x5n h SER 87 Ca 0.00 0.02 -0.66 0.00 -1.23 0.00 0.00 61.79 59.92 1x5n h SER 87 Cb 0.56 0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 62.48 1x5n h SER 87 CO 0.00 -0.12 -0.50 -0.55 -0.53 0.00 0.00 176.83 175.13 1x5n s SER 88 N -2.64 3.86 -0.14 6.23 0.15 -1.26 -5.08 113.70 114.82 1x5n s SER 88 Ca -0.03 -1.70 -0.11 0.00 0.70 0.00 0.00 55.95 54.81 1x5n s SER 88 Cb 0.01 0.64 -0.07 0.00 -1.71 0.00 0.00 66.02 64.88 1x5n s SER 88 CO 0.11 -0.93 0.05 0.03 1.20 0.00 0.00 173.24 173.70 1x5n h ARG 89 N 1.40 0.00 -6.54 5.44 2.47 -1.88 -3.44 114.38 111.83 1x5n h ARG 89 Ca -0.42 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.74 1x5n h ARG 89 Cb 1.31 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.56 1x5n h ARG 89 CO 0.69 0.28 0.90 -1.54 0.56 0.00 0.00 179.97 180.86 1x5n s SER 90 N -5.91 6.50 0.01 7.04 1.04 -1.26 -2.47 113.70 118.65 1x5n s SER 90 Ca -0.13 0.18 0.04 0.00 0.48 0.00 0.00 55.95 56.52 1x5n s SER 90 Cb 0.01 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.59 1x5n s SER 90 CO 0.26 -1.36 -0.11 -0.76 0.98 0.00 0.00 173.24 172.25 1x5n s LEU 91 N 4.64 2.08 -0.49 2.42 1.43 -0.50 -4.99 118.68 123.26 1x5n s LEU 91 Ca 0.43 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 1x5n s LEU 91 Cb -0.08 -0.51 0.11 0.00 0.03 0.00 0.00 46.19 45.74 1x5n s LEU 91 CO 0.27 0.07 0.41 -0.89 0.23 0.00 0.00 176.35 176.44 1x5n s THR 92 N -0.52 4.87 0.05 5.49 2.01 -1.26 -0.24 115.64 126.05 1x5n s THR 92 Ca 0.02 -1.46 -0.20 0.00 0.31 0.00 0.00 61.69 60.37 1x5n s THR 92 Cb -0.06 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 1x5n s THR 92 CO 0.00 -0.74 0.57 -0.63 -0.69 0.00 0.00 174.62 173.13 1x5n s ILE 93 N 1.53 4.79 -0.30 1.82 1.01 0.53 0.21 121.20 130.79 1x5n s ILE 93 Ca 0.04 1.22 0.03 0.00 0.00 0.00 0.00 60.65 61.94 1x5n s ILE 93 Cb -0.27 -3.90 0.08 0.00 0.01 0.00 0.00 42.46 38.38 1x5n s ILE 93 CO 0.03 0.52 -0.01 -0.44 0.00 0.00 0.00 174.94 175.03 1x5n s SER 94 N -0.85 4.52 0.46 3.58 0.01 0.11 0.11 113.70 121.64 1x5n s SER 94 Ca 0.29 -1.77 0.08 0.00 1.31 0.00 0.00 55.95 55.87 1x5n s SER 94 Cb -0.19 -1.51 0.03 0.00 0.21 0.00 0.00 66.02 64.56 1x5n s SER 94 CO 0.18 -0.30 0.60 0.27 0.41 0.00 0.00 173.24 174.40 1x5n s ILE 95 N 1.07 2.75 -0.34 1.44 -4.36 -0.69 -1.62 121.20 119.44 1x5n s ILE 95 Ca 0.02 -1.04 0.07 0.00 -0.26 0.00 0.00 60.65 59.45 1x5n s ILE 95 Cb -0.19 -2.79 0.50 0.00 1.25 0.00 0.00 42.46 41.23 1x5n s ILE 95 CO -0.08 0.00 1.50 0.52 0.24 0.00 0.00 174.94 177.12 1x5n n VAL 96 N -1.91 2.70 -2.99 8.37 0.31 -1.22 -0.81 118.33 122.76 1x5n n VAL 96 Ca 0.09 -3.03 -0.01 0.00 -0.01 0.00 0.00 64.34 61.38 1x5n n VAL 96 Cb 0.60 -0.57 -0.01 0.00 -0.91 0.00 0.00 33.84 32.95 1x5n n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5n n ALA 97 N -1.03 -2.08 -3.89 3.52 0.00 -1.26 -3.47 120.51 112.30 1x5n n ALA 97 Ca 0.40 0.45 -0.40 0.00 0.00 0.00 0.00 53.44 53.89 1x5n n ALA 97 Cb 1.01 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 19.24 1x5n n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n n ALA 98 N 1.76 -2.58 0.06 0.00 0.00 -1.26 -4.87 120.51 113.62 1x5n n ALA 98 Ca -0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 1x5n n ALA 98 Cb 0.27 -3.36 -0.01 0.00 0.00 0.00 0.00 19.45 16.35 1x5n n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n h ALA 99 N 1.25 -0.77 -1.24 0.00 0.00 -1.53 -3.33 119.26 113.64 1x5n h ALA 99 Ca -0.69 -0.04 -0.78 0.00 0.00 0.00 0.00 54.91 53.40 1x5n h ALA 99 Cb 1.39 0.06 -0.28 0.00 0.00 0.00 0.00 17.79 18.96 1x5n h ALA 99 CO 0.50 -0.76 0.91 0.41 0.00 0.00 0.00 179.25 180.31 1x5n n GLY 100 N -0.28 5.94 0.27 0.00 0.00 -0.91 -4.66 105.19 105.55 1x5n n GLY 100 Ca -0.02 -2.57 0.16 0.00 0.00 0.00 0.00 46.02 43.60 1x5n n GLY 100 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x5n h ARG 101 N 3.77 0.00 0.00 1.61 3.08 -1.73 -2.17 114.38 118.95 1x5n h ARG 101 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 1x5n h ARG 101 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1x5n h ARG 101 CO 1.22 0.01 0.00 -0.85 -1.07 0.00 0.00 179.97 179.28 1x5n n GLU 102 N -3.10 0.23 0.19 0.04 0.28 -1.26 -0.29 120.64 116.73 1x5n n GLU 102 Ca 0.01 0.29 0.14 0.00 -0.16 0.00 0.00 57.16 57.44 1x5n n GLU 102 Cb 0.34 -1.82 0.61 0.00 1.43 0.00 0.00 31.44 32.00 1x5n n GLU 102 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1x5n h LEU 103 N 0.00 0.00 0.00 -1.84 3.38 -1.77 -3.33 115.31 111.75 1x5n h LEU 103 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x5n h LEU 103 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1x5n h LEU 103 CO 0.00 0.00 -0.79 0.49 0.09 0.00 0.00 178.44 178.23 1x5n n PHE 104 N -2.55 0.00 -3.14 1.13 3.72 -1.05 -5.10 117.46 110.47 1x5n n PHE 104 Ca 0.01 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 1x5n n PHE 104 Cb 0.22 0.10 0.01 0.00 -0.94 0.00 0.00 39.48 38.87 1x5n n PHE 104 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1x5n n MET 105 N -2.85 -1.28 -1.62 -1.08 2.81 0.61 -4.69 117.12 109.02 1x5n n MET 105 Ca 0.00 1.34 0.00 0.00 -1.81 0.00 0.00 57.70 57.23 1x5n n MET 105 Cb 0.39 -2.25 0.00 0.00 -0.71 0.00 0.00 33.22 30.66 1x5n n MET 105 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1x5n n THR 106 N 0.83 -3.73 -3.79 2.03 -1.04 -1.26 -5.03 114.28 102.29 1x5n n THR 106 Ca -0.01 1.79 -0.13 0.00 -2.04 0.00 0.00 64.05 63.67 1x5n n THR 106 Cb 0.44 -2.77 -0.11 0.00 -1.82 0.00 0.00 70.33 66.07 1x5n n THR 106 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1x5n s ASP 107 N -4.88 -0.23 -0.28 8.00 2.15 -1.26 -5.16 116.67 115.02 1x5n s ASP 107 Ca 0.00 0.39 -0.22 0.00 0.43 0.00 0.00 52.55 53.15 1x5n s ASP 107 Cb 0.00 0.47 0.11 0.00 -0.30 0.00 0.00 42.92 43.20 1x5n s ASP 107 CO 0.00 -0.16 0.91 -0.60 -0.17 0.00 0.00 175.17 175.15 1x5n s ARG 108 N -0.20 0.58 0.33 4.34 3.52 -1.26 -5.12 118.95 121.15 1x5n s ARG 108 Ca -0.03 0.77 0.00 0.00 -0.13 0.00 0.00 55.73 56.34 1x5n s ARG 108 Cb -0.03 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.60 1x5n s ARG 108 CO 0.01 -0.08 0.00 0.45 -0.81 0.00 0.00 175.30 174.87 1x5n n SER 109 N 2.81 -9.05 0.00 -2.12 2.88 -1.26 -5.00 113.62 101.88 1x5n n SER 109 Ca -0.15 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1x5n n SER 109 Cb 0.56 -4.81 0.00 0.00 -0.75 0.00 0.00 64.21 59.22 1x5n n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5n n GLY 110 N 0.74 -1.43 2.31 0.46 0.00 -1.26 -4.92 105.19 101.09 1x5n n GLY 110 Ca 0.00 0.53 -0.19 0.00 0.00 0.00 0.00 46.02 46.36 1x5n n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5n n PRO 111 N 0.00 2.15 -1.91 1.61 -0.04 -1.26 -4.77 135.00 130.79 1x5n n PRO 111 Ca 0.00 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1x5n n PRO 111 Cb 0.00 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1x5n n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5n n SER 112 N 3.29 -9.19 -3.02 3.54 7.64 -1.26 -4.83 113.62 109.79 1x5n n SER 112 Ca 0.46 1.34 -0.01 0.00 1.01 0.00 0.00 58.87 61.67 1x5n n SER 112 Cb 0.43 -4.98 -0.01 0.00 -1.01 0.00 0.00 64.21 58.64 1x5n n SER 112 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5n n SER 113 N 0.97 -6.39 0.00 6.43 2.88 -1.26 -5.06 113.62 111.20 1x5n n SER 113 Ca 0.00 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1x5n n SER 113 Cb 0.00 -2.55 0.00 0.00 -0.75 0.00 0.00 64.21 60.91 1x5n n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42