#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5a h SER 2 N 0.00 0.00 -4.21 1.61 0.87 -2.07 -3.48 113.55 106.26 1x5a h SER 2 Ca 0.00 -0.18 -0.46 0.00 -1.23 0.00 0.00 61.79 59.92 1x5a h SER 2 Cb 0.00 0.00 0.11 0.00 -0.44 0.00 0.00 62.40 62.07 1x5a h SER 2 CO 0.00 0.99 0.36 -0.94 -0.53 0.00 0.00 176.83 176.71 1x5a s SER 3 N -6.11 4.29 0.04 6.23 1.04 -1.26 -5.05 113.70 112.89 1x5a s SER 3 Ca -0.19 0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1x5a s SER 3 Cb 0.03 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 65.16 1x5a s SER 3 CO 0.34 -2.00 0.00 0.61 0.98 0.00 0.00 173.24 173.17 1x5a n GLY 4 N -3.30 -0.03 3.73 7.32 0.00 -1.26 -5.05 105.19 106.60 1x5a n GLY 4 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1x5a n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5a s SER 5 N -5.23 7.02 0.38 1.61 0.01 -1.26 -5.07 113.70 111.17 1x5a s SER 5 Ca 0.00 1.23 0.08 0.00 1.31 0.00 0.00 55.95 58.57 1x5a s SER 5 Cb 0.00 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 1x5a s SER 5 CO 0.00 -0.07 0.16 -0.44 0.41 0.00 0.00 173.24 173.29 1x5a s SER 6 N 0.57 4.49 0.30 2.44 0.01 -1.26 -5.15 113.70 115.10 1x5a s SER 6 Ca 0.37 -0.97 -0.19 0.00 1.31 0.00 0.00 55.95 56.47 1x5a s SER 6 Cb -0.18 -0.56 0.03 0.00 0.21 0.00 0.00 66.02 65.52 1x5a s SER 6 CO 0.19 -0.44 0.71 -0.83 0.41 0.00 0.00 173.24 173.28 1x5a s GLY 7 N -3.87 0.10 0.80 3.44 0.00 -1.26 -5.15 107.32 101.38 1x5a s GLY 7 Ca 0.40 -0.48 -0.16 0.00 0.00 0.00 0.00 44.72 44.47 1x5a s GLY 7 CO 0.22 -0.20 -0.06 0.00 0.00 0.00 0.00 173.10 173.06 1x5a n ALA 8 N -0.47 -3.31 -0.74 3.20 0.00 -1.26 -4.78 120.51 113.15 1x5a n ALA 8 Ca -0.05 -0.41 -0.08 0.00 0.00 0.00 0.00 53.44 52.90 1x5a n ALA 8 Cb 0.59 -1.52 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 1x5a n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x5a n GLU 9 N 0.62 1.45 -0.38 0.00 -0.58 -1.26 -4.64 120.64 115.85 1x5a n GLU 9 Ca 0.05 -0.78 0.00 0.00 -0.42 0.00 0.00 57.16 56.02 1x5a n GLU 9 Cb 0.52 -1.37 0.06 0.00 -0.57 0.00 0.00 31.44 30.08 1x5a n GLU 9 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1x5a h SER 10 N 1.44 -1.33 -2.70 1.62 4.64 -2.06 -3.41 113.55 111.75 1x5a h SER 10 Ca 0.14 0.31 -0.59 0.00 -0.47 0.00 0.00 61.79 61.18 1x5a h SER 10 Cb 1.00 0.73 0.15 0.00 -0.31 0.00 0.00 62.40 63.97 1x5a h SER 10 CO 0.34 -0.30 -0.28 -0.11 -0.87 0.00 0.00 176.83 175.61 1x5a n LEU 11 N -5.51 0.81 -4.08 5.97 7.94 -1.26 -4.85 117.00 116.02 1x5a n LEU 11 Ca 0.11 0.87 -0.43 0.00 -1.11 0.00 0.00 56.01 55.46 1x5a n LEU 11 Cb 0.42 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.19 1x5a n LEU 11 CO -0.13 -2.66 1.75 -0.24 -1.11 0.00 0.00 177.39 175.01 1x5a n SER 12 N 0.84 5.15 -3.69 1.96 2.88 -1.26 -4.73 113.62 114.76 1x5a n SER 12 Ca 0.11 -3.07 -0.24 0.00 -1.33 0.00 0.00 58.87 54.35 1x5a n SER 12 Cb 0.42 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 1x5a n SER 12 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5a n GLY 13 N 3.24 -1.16 2.41 0.46 0.00 -1.26 -4.91 105.19 103.98 1x5a n GLY 13 Ca 0.39 0.53 -0.21 0.00 0.00 0.00 0.00 46.02 46.73 1x5a n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5a n LEU 14 N -2.55 1.91 -4.45 0.99 4.77 -1.26 -4.81 117.00 111.59 1x5a n LEU 14 Ca -0.28 -5.21 -0.44 0.00 -0.03 0.00 0.00 56.01 50.05 1x5a n LEU 14 Cb 0.62 0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 42.02 1x5a n LEU 14 CO 0.58 2.31 0.91 -0.94 -1.33 0.00 0.00 177.39 178.92 1x5a s SER 15 N -2.74 6.51 1.01 -1.43 1.04 -1.26 -4.89 113.70 111.94 1x5a s SER 15 Ca 0.43 -1.78 -0.18 0.00 0.48 0.00 0.00 55.95 54.90 1x5a s SER 15 Cb 0.33 -2.40 -0.05 0.00 0.10 0.00 0.00 66.02 64.00 1x5a s SER 15 CO -0.10 -1.16 -0.43 0.18 0.98 0.00 0.00 173.24 172.72 1x5a n LEU 16 N 6.83 -2.96 -3.92 2.42 4.77 -1.26 -4.81 117.00 118.06 1x5a n LEU 16 Ca 0.17 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.18 1x5a n LEU 16 Cb 0.48 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 1x5a n LEU 16 CO 0.54 -4.04 -0.19 -1.59 -1.33 0.00 0.00 177.39 170.78 1x5a s LYS 17 N -2.79 0.66 -0.54 3.23 0.00 -1.23 -4.99 119.74 114.08 1x5a s LYS 17 Ca 0.48 -0.84 -0.11 0.00 0.00 0.00 0.00 55.97 55.50 1x5a s LYS 17 Cb -0.12 0.26 0.14 0.00 0.00 0.00 0.00 37.83 38.10 1x5a s LYS 17 CO 0.72 -0.17 0.43 -1.17 0.00 0.00 0.00 175.35 175.16 1x5a s LEU 18 N -2.37 5.88 0.00 2.77 2.96 -1.26 -3.53 118.68 123.13 1x5a s LEU 18 Ca -0.01 -2.05 0.00 0.00 -0.22 0.00 0.00 54.13 51.84 1x5a s LEU 18 Cb 0.01 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1x5a s LEU 18 CO -0.07 -0.69 0.51 1.33 -1.32 0.00 0.00 176.35 176.12 1x5a n VAL 19 N 4.76 0.00 -3.66 1.68 0.24 -1.21 -4.77 118.33 115.37 1x5a n VAL 19 Ca -0.05 0.95 -0.29 0.00 -2.04 0.00 0.00 64.34 62.90 1x5a n VAL 19 Cb 0.41 -1.84 -0.15 0.00 -1.47 0.00 0.00 33.84 30.79 1x5a n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1x5a s LYS 20 N -1.74 0.53 0.26 7.34 2.47 -1.26 -5.07 119.74 122.27 1x5a s LYS 20 Ca 0.00 -0.91 -0.30 0.00 -1.56 0.00 0.00 55.97 53.21 1x5a s LYS 20 Cb 0.00 -1.68 -0.09 0.00 -1.46 0.00 0.00 37.83 34.60 1x5a s LYS 20 CO 0.00 -1.01 1.17 -1.59 0.16 0.00 0.00 175.35 174.08 1x5a s LYS 21 N 1.74 4.53 0.09 4.03 -2.85 -1.26 -3.81 119.74 122.22 1x5a s LYS 21 Ca 0.10 1.91 0.04 0.00 -1.00 0.00 0.00 55.97 57.02 1x5a s LYS 21 Cb -0.17 -3.19 -0.03 0.00 -2.06 0.00 0.00 37.83 32.38 1x5a s LYS 21 CO -0.28 0.03 -0.11 -1.21 0.10 0.00 0.00 175.35 173.88 1x5a s GLU 22 N -1.07 0.83 0.25 1.78 0.41 -0.22 -4.55 118.70 116.12 1x5a s GLU 22 Ca 0.48 -1.10 0.23 0.00 -0.41 0.00 0.00 54.97 54.18 1x5a s GLU 22 Cb -0.34 -0.58 0.97 0.00 -1.78 0.00 0.00 34.13 32.40 1x5a s GLU 22 CO 0.42 0.10 1.70 -0.35 -0.49 0.00 0.00 175.26 176.64 1x5a n PRO 23 N 0.75 0.19 0.00 0.39 -0.04 -1.26 -3.20 135.00 131.82 1x5a n PRO 23 Ca -0.17 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1x5a n PRO 23 Cb 0.57 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1x5a n PRO 23 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x5a n ARG 24 N -2.21 2.24 -4.20 0.54 1.74 -1.26 -0.49 116.66 113.01 1x5a n ARG 24 Ca 0.02 -0.04 -0.12 0.00 -0.77 0.00 0.00 57.85 56.94 1x5a n ARG 24 Cb 0.22 -0.32 -0.10 0.00 -1.02 0.00 0.00 32.46 31.25 1x5a n ARG 24 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1x5a s GLN 25 N -0.33 1.14 -0.30 5.56 0.74 -1.19 -1.93 119.66 123.35 1x5a s GLN 25 Ca 0.00 -1.58 -0.06 0.00 0.05 0.00 0.00 55.36 53.77 1x5a s GLN 25 Cb 0.00 0.15 0.17 0.00 1.10 0.00 0.00 33.01 34.43 1x5a s GLN 25 CO 0.00 -0.32 0.69 -0.51 -0.55 0.00 0.00 175.29 174.60 1x5a s LEU 26 N -3.15 -1.17 0.08 3.68 1.43 -0.82 -1.05 118.68 117.68 1x5a s LEU 26 Ca 0.33 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.49 1x5a s LEU 26 Cb 0.07 2.10 -0.04 0.00 0.03 0.00 0.00 46.19 48.35 1x5a s LEU 26 CO 0.09 -0.22 0.11 -0.70 0.23 0.00 0.00 176.35 175.86 1x5a s GLU 27 N 2.85 3.01 0.05 1.70 2.12 -1.25 -2.33 118.70 124.84 1x5a s GLU 27 Ca 0.09 -0.65 -0.13 0.00 0.36 0.00 0.00 54.97 54.64 1x5a s GLU 27 Cb -0.13 -2.79 0.02 0.00 0.26 0.00 0.00 34.13 31.49 1x5a s GLU 27 CO -0.19 0.57 0.28 -0.51 -0.54 0.00 0.00 175.26 174.86 1x5a s LEU 28 N -2.49 0.99 -0.16 2.70 1.43 -1.18 -3.33 118.68 116.64 1x5a s LEU 28 Ca 0.31 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 53.07 1x5a s LEU 28 Cb -0.12 1.27 0.06 0.00 0.03 0.00 0.00 46.19 47.43 1x5a s LEU 28 CO 0.23 -0.62 0.38 0.28 0.23 0.00 0.00 176.35 176.85 1x5a s THR 29 N -2.67 -0.07 -0.30 5.49 -1.32 -1.23 -2.92 115.64 112.63 1x5a s THR 29 Ca -0.04 0.11 0.03 0.00 -1.21 0.00 0.00 61.69 60.58 1x5a s THR 29 Cb -0.00 -0.57 0.08 0.00 -1.51 0.00 0.00 72.50 70.50 1x5a s THR 29 CO -0.04 0.05 -0.03 -1.66 -2.21 0.00 0.00 174.62 170.73 1x5a s TRP 30 N 1.47 3.51 0.00 9.09 -2.14 -0.92 -3.50 118.94 126.45 1x5a s TRP 30 Ca -0.09 -2.65 0.00 0.00 2.66 0.00 0.00 56.10 56.03 1x5a s TRP 30 Cb -0.09 -2.43 0.00 0.00 -3.10 0.00 0.00 33.47 27.85 1x5a s TRP 30 CO -0.12 -0.91 0.00 0.00 -2.66 0.00 0.00 176.95 173.26 1x5a n ALA 31 N 4.35 2.54 0.00 2.67 0.00 -1.26 -4.83 120.51 123.98 1x5a n ALA 31 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1x5a n ALA 31 Cb 0.42 0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1x5a n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x5a n GLY 32 N 2.98 -1.76 2.76 0.00 0.00 -1.26 -4.68 105.19 103.23 1x5a n GLY 32 Ca 0.00 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 1x5a n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5a s SER 33 N -4.00 3.84 -0.29 1.61 1.04 -1.26 -5.05 113.70 109.60 1x5a s SER 33 Ca 0.00 -3.54 -0.16 0.00 0.48 0.00 0.00 55.95 52.73 1x5a s SER 33 Cb 0.00 -1.28 0.13 0.00 0.10 0.00 0.00 66.02 64.96 1x5a s SER 33 CO 0.00 -0.12 0.90 -0.60 0.98 0.00 0.00 173.24 174.39 1x5a s ARG 34 N -0.90 0.47 -0.40 4.02 6.06 -1.26 -5.12 118.95 121.82 1x5a s ARG 34 Ca 0.26 0.82 -0.28 0.00 -2.50 0.00 0.00 55.73 54.03 1x5a s ARG 34 Cb -0.05 0.10 -0.01 0.00 0.06 0.00 0.00 34.95 35.06 1x5a s ARG 34 CO -0.16 -0.10 1.73 -1.25 -2.50 0.00 0.00 175.30 173.02 1x5a s PRO 35 N 1.45 3.26 0.21 5.12 0.04 -1.26 -4.99 135.00 138.83 1x5a s PRO 35 Ca -0.09 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.17 1x5a s PRO 35 Cb -0.04 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 1x5a s PRO 35 CO -0.16 -1.95 0.29 1.03 0.04 0.00 0.00 177.00 176.24 1x5a s ARG 36 N 5.76 3.29 0.67 4.56 0.52 -1.26 -5.09 118.95 127.40 1x5a s ARG 36 Ca 0.74 -0.79 -0.17 0.00 -0.52 0.00 0.00 55.73 54.99 1x5a s ARG 36 Cb -0.19 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.46 1x5a s ARG 36 CO 0.31 0.45 1.24 0.54 0.02 0.00 0.00 175.30 177.86 1x5a s ASN 37 N -3.69 4.58 0.00 0.23 2.20 -1.26 -4.87 114.94 112.13 1x5a s ASN 37 Ca 0.34 2.45 0.13 0.00 -0.94 0.00 0.00 52.86 54.83 1x5a s ASN 37 Cb -0.09 -2.60 0.75 0.00 -2.00 0.00 0.00 41.25 37.31 1x5a s ASN 37 CO 0.28 -2.01 1.18 -0.81 -2.94 0.00 0.00 177.10 172.80 1x5a n PRO 38 N -2.17 0.49 -0.71 3.55 -0.04 -1.26 -4.76 135.00 130.11 1x5a n PRO 38 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1x5a n PRO 38 Cb 0.49 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1x5a n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x5a n GLY 39 N -0.02 5.76 0.00 0.55 0.00 -1.26 -4.98 105.19 105.24 1x5a n GLY 39 Ca 0.09 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1x5a n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5a n GLY 40 N 2.75 3.84 3.91 -0.02 0.00 -1.26 -4.89 105.19 109.51 1x5a n GLY 40 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1x5a n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x5a n ASN 41 N 0.00 -3.68 -4.87 1.61 4.13 -1.26 -4.95 115.26 106.24 1x5a n ASN 41 Ca 0.00 -0.83 -0.33 0.00 1.68 0.00 0.00 54.58 55.11 1x5a n ASN 41 Cb 0.00 -3.75 -0.05 0.00 -1.54 0.00 0.00 39.78 34.44 1x5a n ASN 41 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x5a s LEU 42 N -7.15 4.22 0.46 3.41 1.43 -1.26 -5.10 118.68 114.69 1x5a s LEU 42 Ca 0.50 0.89 0.08 0.00 -1.03 0.00 0.00 54.13 54.57 1x5a s LEU 42 Cb -0.26 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.46 1x5a s LEU 42 CO 0.84 -0.01 0.55 -0.44 0.23 0.00 0.00 176.35 177.52 1x5a s SER 43 N -2.23 5.31 -0.05 2.29 0.01 -1.26 -4.82 113.70 112.95 1x5a s SER 43 Ca 0.44 -0.65 -0.02 0.00 1.31 0.00 0.00 55.95 57.03 1x5a s SER 43 Cb -0.12 -0.38 0.03 0.00 0.21 0.00 0.00 66.02 65.76 1x5a s SER 43 CO 0.21 -0.86 0.10 -0.31 0.41 0.00 0.00 173.24 172.79 1x5a s TYR 44 N -2.47 -0.10 -0.27 2.43 2.02 0.98 -1.04 117.35 118.89 1x5a s TYR 44 Ca 0.53 0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 57.44 1x5a s TYR 44 Cb -0.07 -0.08 -0.05 0.00 -0.40 0.00 0.00 41.96 41.36 1x5a s TYR 44 CO 0.32 -0.11 0.22 -2.00 -1.57 0.00 0.00 175.55 172.40 1x5a s GLU 45 N 0.80 3.98 -0.13 -0.62 2.56 0.11 0.26 118.70 125.66 1x5a s GLU 45 Ca -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 54.97 54.62 1x5a s GLU 45 Cb -0.08 -3.64 -0.03 0.00 2.00 0.00 0.00 34.13 32.37 1x5a s GLU 45 CO -0.03 -0.16 0.01 -1.17 -0.56 0.00 0.00 175.26 173.35 1x5a s LEU 46 N 1.71 3.58 -0.07 2.70 1.98 -0.88 -2.10 118.68 125.60 1x5a s LEU 46 Ca 0.09 0.07 -0.02 0.00 -2.89 0.00 0.00 54.13 51.38 1x5a s LEU 46 Cb -0.16 -1.86 0.03 0.00 0.66 0.00 0.00 46.19 44.87 1x5a s LEU 46 CO 0.10 0.27 0.01 -2.28 -1.89 0.00 0.00 176.35 172.56 1x5a s HIS 47 N -0.23 0.60 -0.12 5.38 5.65 -0.59 0.17 115.29 126.16 1x5a s HIS 47 Ca 0.06 -0.15 0.00 0.00 0.25 0.00 0.00 55.06 55.23 1x5a s HIS 47 Cb -0.12 -0.77 -0.02 0.00 -1.18 0.00 0.00 32.58 30.49 1x5a s HIS 47 CO 0.02 -0.33 -0.13 0.08 -0.65 0.00 0.00 174.74 173.73 1x5a s VAL 48 N 2.00 3.06 0.18 0.89 1.01 -0.10 -2.31 120.40 125.12 1x5a s VAL 48 Ca 0.05 -0.67 0.11 0.00 0.00 0.00 0.00 61.98 61.46 1x5a s VAL 48 Cb -0.12 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1x5a s VAL 48 CO -0.05 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 174.59 1x5a s LEU 49 N 0.16 2.41 0.21 3.92 1.02 -0.56 -1.14 118.68 124.70 1x5a s LEU 49 Ca -0.07 -0.84 -0.02 0.00 0.02 0.00 0.00 54.13 53.22 1x5a s LEU 49 Cb -0.15 -1.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.93 1x5a s LEU 49 CO 0.05 0.09 0.18 0.21 0.02 0.00 0.00 176.35 176.90 1x5a s ASN 50 N -2.56 0.20 0.08 2.29 3.84 0.43 -0.58 114.94 118.64 1x5a s ASN 50 Ca 0.18 -1.35 -0.15 0.00 0.21 0.00 0.00 52.86 51.75 1x5a s ASN 50 Cb -0.08 0.42 -0.03 0.00 -0.55 0.00 0.00 41.25 41.01 1x5a s ASN 50 CO 0.08 -0.89 1.01 0.00 -2.79 0.00 0.00 177.10 174.51 1x5a n GLN 51 N -0.30 -0.21 -1.58 0.43 1.13 -1.26 -2.59 117.38 112.99 1x5a n GLN 51 Ca 0.02 0.99 -0.02 0.00 -1.94 0.00 0.00 57.00 56.05 1x5a n GLN 51 Cb 0.65 -1.47 0.08 0.00 0.11 0.00 0.00 30.24 29.62 1x5a n GLN 51 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1x5a n ASP 52 N -4.13 2.13 -3.62 1.08 2.03 -1.26 -5.01 116.55 107.77 1x5a n ASP 52 Ca 0.01 -2.95 -0.15 0.00 0.52 0.00 0.00 54.79 52.22 1x5a n ASP 52 Cb 0.12 -0.41 -0.13 0.00 -0.72 0.00 0.00 41.12 39.97 1x5a n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1x5a s GLU 53 N -2.47 0.14 -0.14 -0.67 2.02 -1.07 -5.14 118.70 111.38 1x5a s GLU 53 Ca 0.37 0.58 0.01 0.00 0.02 0.00 0.00 54.97 55.95 1x5a s GLU 53 Cb 0.37 -0.36 0.02 0.00 0.10 0.00 0.00 34.13 34.26 1x5a s GLU 53 CO -0.07 -0.39 -0.15 -2.00 0.02 0.00 0.00 175.26 172.67 1x5a s GLU 54 N 2.38 2.37 -0.08 1.61 -6.30 -1.26 0.16 118.70 117.57 1x5a s GLU 54 Ca 0.03 -0.60 -0.08 0.00 -2.50 0.00 0.00 54.97 51.83 1x5a s GLU 54 Cb -0.13 -2.09 0.02 0.00 0.00 0.00 0.00 34.13 31.94 1x5a s GLU 54 CO -0.09 -0.16 0.22 1.67 0.02 0.00 0.00 175.26 176.93 1x5a s TRP 55 N 1.26 -0.25 0.11 5.30 -2.14 -0.29 -5.02 118.94 117.90 1x5a s TRP 55 Ca 0.00 0.61 0.10 0.00 2.66 0.00 0.00 56.10 59.47 1x5a s TRP 55 Cb -0.14 0.08 -0.04 0.00 -3.10 0.00 0.00 33.47 30.28 1x5a s TRP 55 CO -0.07 -0.13 -0.25 -3.38 -2.66 0.00 0.00 176.95 170.46 1x5a s HIS 56 N 0.21 2.13 -0.12 1.66 -3.43 -1.26 -0.93 115.29 113.55 1x5a s HIS 56 Ca -0.01 -0.39 -0.04 0.00 -0.80 0.00 0.00 55.06 53.81 1x5a s HIS 56 Cb -0.02 -1.18 0.06 0.00 -1.43 0.00 0.00 32.58 30.01 1x5a s HIS 56 CO -0.00 0.26 0.24 1.14 -2.00 0.00 0.00 174.74 174.37 1x5a s GLN 57 N -1.87 0.12 0.10 -0.38 -2.07 0.13 -4.98 119.66 110.70 1x5a s GLN 57 Ca 0.11 0.68 -0.30 0.00 -1.82 0.00 0.00 55.36 54.03 1x5a s GLN 57 Cb -0.10 -0.15 -0.06 0.00 -1.09 0.00 0.00 33.01 31.62 1x5a s GLN 57 CO 0.05 -0.31 1.12 1.41 -1.32 0.00 0.00 175.29 176.24 1x5a s MET 58 N 2.39 4.52 0.02 9.60 -2.45 -1.26 -2.07 119.30 130.05 1x5a s MET 58 Ca 0.02 1.68 0.06 0.00 -1.25 0.00 0.00 55.69 56.20 1x5a s MET 58 Cb -0.12 -3.34 -0.02 0.00 1.25 0.00 0.00 34.83 32.60 1x5a s MET 58 CO -0.08 -0.08 -0.18 0.14 1.05 0.00 0.00 175.02 175.87 1x5a s VAL 59 N 0.53 1.43 -0.35 10.11 -7.23 0.14 -4.89 120.40 120.14 1x5a s VAL 59 Ca 0.54 -0.97 0.23 0.00 -1.81 0.00 0.00 61.98 59.96 1x5a s VAL 59 Cb -0.28 -1.23 0.06 0.00 0.56 0.00 0.00 36.38 35.49 1x5a s VAL 59 CO 0.31 0.24 1.19 -0.07 -0.31 0.00 0.00 175.10 176.45 1x5a h LEU 60 N 5.22 0.00 -9.77 1.32 3.38 -1.91 0.28 115.31 113.83 1x5a h LEU 60 Ca -0.39 -0.04 -0.59 0.00 0.09 0.00 0.00 57.88 56.95 1x5a h LEU 60 Cb 1.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 1x5a h LEU 60 CO 0.46 0.02 -0.56 -1.83 0.09 0.00 0.00 178.44 176.62 1x5a s GLU 61 N -3.30 2.97 0.00 1.13 1.03 -1.26 -4.54 118.70 114.72 1x5a s GLU 61 Ca 0.02 -0.79 0.11 0.00 0.03 0.00 0.00 54.97 54.34 1x5a s GLU 61 Cb 0.10 -2.71 0.64 0.00 -0.80 0.00 0.00 34.13 31.35 1x5a s GLU 61 CO 0.76 0.51 1.07 -0.35 -1.33 0.00 0.00 175.26 175.92 1x5a n PRO 62 N -0.16 0.49 -4.97 -4.83 -0.04 -1.26 -4.61 135.00 119.61 1x5a n PRO 62 Ca -0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.09 1x5a n PRO 62 Cb 0.54 -1.34 -0.17 0.00 -0.04 0.00 0.00 33.50 32.49 1x5a n PRO 62 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1x5a s ARG 63 N -2.00 2.33 0.01 0.54 1.70 -1.26 -2.16 118.95 118.11 1x5a s ARG 63 Ca 0.16 -0.70 0.06 0.00 -0.47 0.00 0.00 55.73 54.78 1x5a s ARG 63 Cb 0.07 -1.87 -0.02 0.00 -0.57 0.00 0.00 34.95 32.56 1x5a s ARG 63 CO 0.12 0.18 -0.19 0.54 -1.08 0.00 0.00 175.30 174.88 1x5a s VAL 64 N 0.29 1.48 -0.29 4.99 0.11 -1.15 -4.96 120.40 120.88 1x5a s VAL 64 Ca -0.12 -0.93 -0.02 0.00 -2.93 0.00 0.00 61.98 57.98 1x5a s VAL 64 Cb -0.15 -1.26 0.05 0.00 -1.53 0.00 0.00 36.38 33.48 1x5a s VAL 64 CO 0.05 0.31 -0.02 -0.22 -3.33 0.00 0.00 175.10 171.89 1x5a s LEU 65 N -0.73 3.75 -0.19 2.54 1.98 -1.26 -3.07 118.68 121.69 1x5a s LEU 65 Ca 0.07 -1.20 -0.13 0.00 -2.89 0.00 0.00 54.13 49.98 1x5a s LEU 65 Cb -0.08 -1.70 -0.05 0.00 0.66 0.00 0.00 46.19 45.03 1x5a s LEU 65 CO 0.00 -0.23 0.24 -0.76 -1.89 0.00 0.00 176.35 173.71 1x5a s LEU 66 N 1.26 4.21 0.42 -0.68 1.43 -0.99 -5.02 118.68 119.31 1x5a s LEU 66 Ca -0.04 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1x5a s LEU 66 Cb -0.19 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1x5a s LEU 66 CO -0.02 0.10 0.06 0.42 0.23 0.00 0.00 176.35 177.13 1x5a s THR 67 N 0.62 1.12 -1.30 5.49 -4.23 -1.26 -1.95 115.64 114.13 1x5a s THR 67 Ca 0.13 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.58 1x5a s THR 67 Cb -0.13 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1x5a s THR 67 CO 0.03 0.00 1.13 0.29 -0.54 0.00 0.00 174.62 175.52 1x5a n LYS 68 N -0.97 -7.55 -3.22 3.99 5.02 -1.14 -4.98 118.16 109.30 1x5a n LYS 68 Ca -0.09 0.83 -0.18 0.00 -2.02 0.00 0.00 58.31 56.85 1x5a n LYS 68 Cb 0.66 -5.86 -0.00 0.00 -0.02 0.00 0.00 35.03 29.81 1x5a n LYS 68 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x5a s LEU 69 N -6.99 3.59 -0.09 -0.35 1.43 -0.81 -5.06 118.68 110.39 1x5a s LEU 69 Ca 0.42 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1x5a s LEU 69 Cb -0.18 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 1x5a s LEU 69 CO 0.72 -0.70 -0.01 -1.10 0.23 0.00 0.00 176.35 175.49 1x5a s GLN 70 N -4.26 3.01 0.81 1.70 -0.21 -1.26 -4.37 119.66 115.07 1x5a s GLN 70 Ca 0.52 -0.44 -0.11 0.00 0.02 0.00 0.00 55.36 55.36 1x5a s GLN 70 Cb -0.08 -2.78 0.08 0.00 1.00 0.00 0.00 33.01 31.23 1x5a s GLN 70 CO 0.31 0.66 1.09 -1.25 -2.12 0.00 0.00 175.29 173.98 1x5a s PRO 71 N -0.77 1.97 -1.61 2.91 0.04 0.36 -3.68 135.00 134.22 1x5a s PRO 71 Ca 0.12 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.10 1x5a s PRO 71 Cb -0.11 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.67 1x5a s PRO 71 CO 0.02 -1.82 0.71 -0.40 0.04 0.00 0.00 177.00 175.56 1x5a n ASP 72 N -3.63 -2.72 -3.99 6.66 5.75 -1.12 -4.93 116.55 112.56 1x5a n ASP 72 Ca 0.08 -0.99 -0.16 0.00 -0.01 0.00 0.00 54.79 53.71 1x5a n ASP 72 Cb 0.54 -2.94 -0.14 0.00 -1.03 0.00 0.00 41.12 37.54 1x5a n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1x5a s THR 73 N -3.46 0.53 -0.39 2.12 2.01 -1.24 -4.95 115.64 110.26 1x5a s THR 73 Ca 0.55 -0.39 -0.20 0.00 0.31 0.00 0.00 61.69 61.95 1x5a s THR 73 Cb -0.30 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 71.76 1x5a s THR 73 CO 0.91 0.08 0.63 -0.89 -0.69 0.00 0.00 174.62 174.66 1x5a s THR 74 N -0.32 4.87 -0.31 -0.82 2.01 -1.26 -2.44 115.64 117.38 1x5a s THR 74 Ca 0.01 0.41 -0.05 0.00 0.31 0.00 0.00 61.69 62.36 1x5a s THR 74 Cb -0.04 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.39 1x5a s THR 74 CO -0.00 -0.41 0.07 -0.31 -0.69 0.00 0.00 174.62 173.27 1x5a s TYR 75 N 2.74 3.20 0.38 4.92 2.02 0.50 -4.48 117.35 126.63 1x5a s TYR 75 Ca 0.24 -1.35 -0.27 0.00 -0.37 0.00 0.00 57.07 55.32 1x5a s TYR 75 Cb -0.14 -2.23 -0.09 0.00 -0.40 0.00 0.00 41.96 39.10 1x5a s TYR 75 CO 0.16 -0.69 1.25 0.42 -1.57 0.00 0.00 175.55 175.13 1x5a s ILE 76 N 1.41 2.84 0.04 2.71 -1.09 0.25 -3.70 121.20 123.66 1x5a s ILE 76 Ca -0.01 0.77 0.03 0.00 -2.23 0.00 0.00 60.65 59.21 1x5a s ILE 76 Cb -0.18 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 1x5a s ILE 76 CO 0.01 0.13 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.06 1x5a s VAL 77 N -1.26 0.75 -0.29 2.92 1.01 -1.26 -1.50 120.40 120.76 1x5a s VAL 77 Ca 0.54 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 1x5a s VAL 77 Cb -0.36 -0.75 0.11 0.00 0.00 0.00 0.00 36.38 35.38 1x5a s VAL 77 CO 0.47 -0.22 0.72 0.00 0.00 0.00 0.00 175.10 176.06 1x5a s ARG 78 N -1.36 0.61 0.08 2.72 1.70 -0.98 -3.32 118.95 118.40 1x5a s ARG 78 Ca -0.05 1.24 0.08 0.00 -0.47 0.00 0.00 55.73 56.53 1x5a s ARG 78 Cb -0.09 0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 1x5a s ARG 78 CO 0.01 -0.16 -0.21 0.54 -1.08 0.00 0.00 175.30 174.39 1x5a s VAL 79 N 2.16 1.75 -0.05 4.99 0.11 -1.26 -1.54 120.40 126.56 1x5a s VAL 79 Ca -0.08 -1.40 -0.07 0.00 -2.93 0.00 0.00 61.98 57.51 1x5a s VAL 79 Cb -0.08 -1.55 0.01 0.00 -1.53 0.00 0.00 36.38 33.24 1x5a s VAL 79 CO -0.19 0.09 0.17 0.00 -3.33 0.00 0.00 175.10 171.84 1x5a s ARG 80 N -1.56 0.30 -0.27 1.54 1.04 -0.89 -3.40 118.95 115.70 1x5a s ARG 80 Ca 0.08 0.05 -0.29 0.00 -1.04 0.00 0.00 55.73 54.52 1x5a s ARG 80 Cb -0.09 0.14 0.00 0.00 -2.04 0.00 0.00 34.95 32.95 1x5a s ARG 80 CO 0.03 -0.06 1.22 0.99 -0.04 0.00 0.00 175.30 177.45 1x5a s THR 81 N -0.38 4.29 0.25 4.99 2.01 -1.26 -0.72 115.64 124.83 1x5a s THR 81 Ca -0.05 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.15 1x5a s THR 81 Cb -0.03 -4.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.19 1x5a s THR 81 CO 0.01 -0.39 1.09 -0.76 -0.69 0.00 0.00 174.62 173.87 1x5a s LEU 82 N 3.95 4.55 0.07 4.42 1.43 -0.20 -2.97 118.68 129.92 1x5a s LEU 82 Ca 0.52 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.86 1x5a s LEU 82 Cb -0.16 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 1x5a s LEU 82 CO 0.18 -0.14 -0.10 0.42 0.23 0.00 0.00 176.35 176.94 1x5a s THR 83 N -0.94 0.82 0.18 5.49 -4.23 -1.26 -4.07 115.64 111.63 1x5a s THR 83 Ca 0.45 -1.36 -0.06 0.00 -1.18 0.00 0.00 61.69 59.54 1x5a s THR 83 Cb -0.31 -1.02 -0.03 0.00 1.34 0.00 0.00 72.50 72.48 1x5a s THR 83 CO 0.39 -0.42 1.53 1.55 -0.54 0.00 0.00 174.62 177.12 1x5a h PRO 84 N 4.07 0.76 -3.40 3.99 0.13 -2.01 -3.37 132.00 132.17 1x5a h PRO 84 Ca -0.38 -0.40 -0.62 0.00 -0.87 0.00 0.00 66.00 63.73 1x5a h PRO 84 Cb 1.19 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1x5a h PRO 84 CO 0.46 1.02 -0.70 -0.51 -0.23 0.00 0.00 178.00 178.04 1x5a s LEU 85 N -8.70 3.45 0.00 1.56 1.43 -1.26 -4.90 118.68 110.27 1x5a s LEU 85 Ca -0.09 -2.59 0.00 0.00 -1.03 0.00 0.00 54.13 50.41 1x5a s LEU 85 Cb 0.12 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 45.04 1x5a s LEU 85 CO 0.86 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.76 1x5a n GLY 86 N 3.63 -0.27 3.77 -3.19 0.00 -1.26 -5.04 105.19 102.82 1x5a n GLY 86 Ca 0.06 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1x5a n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5a s PRO 87 N -0.97 4.23 0.87 1.61 0.04 -1.26 -4.70 135.00 134.82 1x5a s PRO 87 Ca 0.00 1.96 -0.10 0.00 0.04 0.00 0.00 61.00 62.89 1x5a s PRO 87 Cb 0.00 -2.87 0.12 0.00 0.04 0.00 0.00 34.50 31.78 1x5a s PRO 87 CO 0.00 -0.21 1.12 0.20 0.04 0.00 0.00 177.00 178.16 1x5a s GLY 88 N -0.89 1.68 0.86 0.56 0.00 -1.16 -4.94 107.32 103.44 1x5a s GLY 88 Ca 0.53 0.45 -0.11 0.00 0.00 0.00 0.00 44.72 45.59 1x5a s GLY 88 CO 0.44 0.86 1.09 2.56 0.00 0.00 0.00 173.10 178.04 1x5a s PRO 89 N -4.74 1.57 -0.25 2.90 0.04 -1.26 -4.78 135.00 128.48 1x5a s PRO 89 Ca 0.65 0.93 -0.26 0.00 0.04 0.00 0.00 61.00 62.36 1x5a s PRO 89 Cb -0.21 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 1x5a s PRO 89 CO 0.57 -2.06 0.89 -0.06 0.04 0.00 0.00 177.00 176.38 1x5a s PHE 90 N -2.92 3.31 0.71 0.56 0.08 -1.26 -4.66 117.98 113.79 1x5a s PHE 90 Ca 0.63 1.20 -0.15 0.00 0.12 0.00 0.00 56.93 58.73 1x5a s PHE 90 Cb -0.18 -3.13 -0.13 0.00 -0.57 0.00 0.00 43.02 39.01 1x5a s PHE 90 CO 0.57 -0.44 -0.48 -1.13 -0.10 0.00 0.00 175.22 173.63 1x5a n SER 91 N 6.12 -4.48 -4.72 1.36 3.41 -1.22 -4.80 113.62 109.30 1x5a n SER 91 Ca 0.07 0.31 -0.42 0.00 -0.26 0.00 0.00 58.87 58.57 1x5a n SER 91 Cb 0.47 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1x5a n SER 91 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1x5a s PRO 92 N -1.41 4.34 -0.87 4.33 0.04 -1.26 -4.82 135.00 135.34 1x5a s PRO 92 Ca 0.40 2.04 -0.32 0.00 0.04 0.00 0.00 61.00 63.16 1x5a s PRO 92 Cb -0.26 -3.26 -0.19 0.00 0.04 0.00 0.00 34.50 30.83 1x5a s PRO 92 CO 0.66 -0.41 2.60 -0.40 0.04 0.00 0.00 177.00 179.49 1x5a n ASP 93 N 3.92 0.66 -3.42 6.66 5.75 -1.26 -4.89 116.55 123.98 1x5a n ASP 93 Ca 0.11 0.14 -0.20 0.00 -0.01 0.00 0.00 54.79 54.83 1x5a n ASP 93 Cb 0.43 -1.02 0.14 0.00 -1.03 0.00 0.00 41.12 39.63 1x5a n ASP 93 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1x5a n HIS 94 N 10.95 -3.85 -3.89 2.11 8.25 -1.21 -5.00 115.22 122.58 1x5a n HIS 94 Ca 0.60 -0.90 -0.28 0.00 -0.26 0.00 0.00 57.72 56.88 1x5a n HIS 94 Cb 0.10 -0.70 -0.16 0.00 1.12 0.00 0.00 29.99 30.35 1x5a n HIS 94 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1x5a s GLU 95 N -4.95 1.42 -0.01 -0.41 2.02 -1.26 -4.37 118.70 111.14 1x5a s GLU 95 Ca 0.52 -0.53 0.05 0.00 0.02 0.00 0.00 54.97 55.04 1x5a s GLU 95 Cb -0.02 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.18 1x5a s GLU 95 CO 0.36 -0.44 -0.16 -0.06 0.02 0.00 0.00 175.26 174.99 1x5a s PHE 96 N 1.63 1.43 0.06 1.61 0.08 -1.24 -5.04 117.98 116.50 1x5a s PHE 96 Ca 0.00 -0.27 0.05 0.00 0.12 0.00 0.00 56.93 56.83 1x5a s PHE 96 Cb -0.15 -0.92 -0.03 0.00 -0.57 0.00 0.00 43.02 41.35 1x5a s PHE 96 CO -0.08 -0.03 -0.13 0.50 -0.10 0.00 0.00 175.22 175.38 1x5a s ARG 97 N -0.37 0.81 0.17 0.44 3.52 -1.26 -0.37 118.95 121.89 1x5a s ARG 97 Ca 0.06 -0.86 -0.06 0.00 -0.13 0.00 0.00 55.73 54.74 1x5a s ARG 97 Cb -0.06 -0.80 -0.06 0.00 -1.56 0.00 0.00 34.95 32.47 1x5a s ARG 97 CO -0.01 0.18 0.42 0.95 -0.81 0.00 0.00 175.30 176.04 1x5a s THR 98 N -1.13 5.10 0.65 4.11 -4.23 -1.02 -4.81 115.64 114.32 1x5a s THR 98 Ca -0.02 0.16 -0.17 0.00 -1.18 0.00 0.00 61.69 60.48 1x5a s THR 98 Cb -0.09 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 1x5a s THR 98 CO 0.02 0.01 0.67 -1.20 -0.54 0.00 0.00 174.62 173.57 1x5a n SER 99 N 0.02 -0.56 -4.77 3.99 7.64 -1.24 -3.13 113.62 115.58 1x5a n SER 99 Ca -0.02 0.69 -0.36 0.00 1.01 0.00 0.00 58.87 60.19 1x5a n SER 99 Cb 0.52 -1.26 -0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1x5a n SER 99 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x5a s PRO 100 N -2.63 3.60 0.95 1.43 0.04 -1.26 -2.80 135.00 134.33 1x5a s PRO 100 Ca 0.70 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 63.33 1x5a s PRO 100 Cb -0.39 -2.25 0.16 0.00 0.04 0.00 0.00 34.50 32.06 1x5a s PRO 100 CO 0.54 -0.67 1.09 -1.25 0.04 0.00 0.00 177.00 176.75 1x5a s PRO 101 N -2.92 0.82 -1.20 0.56 0.04 -1.26 -4.06 135.00 126.97 1x5a s PRO 101 Ca 0.67 0.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.30 1x5a s PRO 101 Cb -0.27 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1x5a s PRO 101 CO 0.32 -2.50 1.04 0.45 0.04 0.00 0.00 177.00 176.35 1x5a n SER 102 N -4.04 -5.35 0.00 6.66 2.88 -1.26 -4.99 113.62 107.52 1x5a n SER 102 Ca 0.06 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.10 1x5a n SER 102 Cb 0.56 -4.60 0.00 0.00 -0.75 0.00 0.00 64.21 59.42 1x5a n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5a n GLY 103 N -1.75 0.51 3.66 0.46 0.00 -1.26 -4.96 105.19 101.84 1x5a n GLY 103 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1x5a n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5a s PRO 104 N 0.00 0.04 -0.37 1.61 0.04 -1.26 -4.84 135.00 130.21 1x5a s PRO 104 Ca 0.00 0.38 -0.36 0.00 0.04 0.00 0.00 61.00 61.07 1x5a s PRO 104 Cb 0.00 -1.70 -0.12 0.00 0.04 0.00 0.00 34.50 32.72 1x5a s PRO 104 CO 0.00 -2.97 2.20 0.45 0.04 0.00 0.00 177.00 176.72 1x5a n SER 105 N -4.32 1.98 -0.04 6.66 2.88 -1.26 -4.84 113.62 114.68 1x5a n SER 105 Ca 0.06 0.41 -0.05 0.00 -1.33 0.00 0.00 58.87 57.97 1x5a n SER 105 Cb 0.58 -1.23 -0.05 0.00 -0.75 0.00 0.00 64.21 62.76 1x5a n SER 105 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x5a h SER 106 N 12.21 -0.03 0.00 -3.46 0.87 -1.94 -3.54 113.55 117.66 1x5a h SER 106 Ca -0.25 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1x5a h SER 106 Cb 1.33 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1x5a h SER 106 CO 1.03 0.63 0.00 0.61 -0.53 0.00 0.00 176.83 178.57