#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eec s SER 2 N 0.00 5.54 -0.58 1.61 0.01 -1.26 -4.95 113.70 114.06 2eec s SER 2 Ca 0.00 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 55.64 2eec s SER 2 Cb 0.00 -1.95 0.45 0.00 0.21 0.00 0.00 66.02 64.73 2eec s SER 2 CO 0.00 -0.54 1.82 -0.24 0.41 0.00 0.00 173.24 174.69 2eec n SER 3 N 4.85 6.98 -3.10 2.44 2.88 -1.26 -4.73 113.62 121.67 2eec n SER 3 Ca -0.09 -3.78 -0.26 0.00 -1.33 0.00 0.00 58.87 53.41 2eec n SER 3 Cb 0.42 -0.82 -0.05 0.00 -0.75 0.00 0.00 64.21 63.01 2eec n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eec n GLY 4 N -0.84 5.09 3.77 0.46 0.00 -1.26 -5.08 105.19 107.33 2eec n GLY 4 Ca 0.57 -2.63 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 2eec n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eec s SER 5 N -3.01 6.40 0.21 1.61 0.15 -1.26 -5.03 113.70 112.77 2eec s SER 5 Ca 0.45 2.42 -0.23 0.00 0.70 0.00 0.00 55.95 59.29 2eec s SER 5 Cb 0.25 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.98 2eec s SER 5 CO -0.10 -0.76 0.76 -0.94 1.20 0.00 0.00 173.24 173.40 2eec s SER 6 N -1.07 -0.30 0.00 5.45 1.04 -1.26 -5.19 113.70 112.36 2eec s SER 6 Ca 0.58 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2eec s SER 6 Cb -0.32 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2eec s SER 6 CO 0.40 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2eec n GLY 7 N -0.43 4.96 3.57 7.32 0.00 -1.26 -5.19 105.19 114.17 2eec n GLY 7 Ca -0.07 -1.51 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 2eec n GLY 7 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eec s PHE 8 N -1.19 -0.20 0.15 1.61 -0.71 -1.26 -5.14 117.98 111.24 2eec s PHE 8 Ca 0.00 0.18 -0.31 0.00 -1.04 0.00 0.00 56.93 55.75 2eec s PHE 8 Cb 0.00 0.51 -0.10 0.00 -1.21 0.00 0.00 43.02 42.22 2eec s PHE 8 CO 0.00 -0.29 1.65 -1.59 -1.34 0.00 0.00 175.22 173.65 2eec s LYS 9 N -2.32 4.18 -0.05 1.99 -2.85 -1.26 -5.00 119.74 114.43 2eec s LYS 9 Ca 0.07 2.44 0.03 0.00 -1.00 0.00 0.00 55.97 57.50 2eec s LYS 9 Cb -0.01 -3.29 -0.03 0.00 -2.06 0.00 0.00 37.83 32.45 2eec s LYS 9 CO -0.05 -0.69 -0.12 0.08 0.10 0.00 0.00 175.35 174.67 2eec s VAL 10 N 1.66 3.30 -0.17 1.79 1.01 -1.26 -5.08 120.40 121.65 2eec s VAL 10 Ca 0.73 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 2eec s VAL 10 Cb -0.44 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 2eec s VAL 10 CO 0.32 0.59 1.38 -0.13 0.00 0.00 0.00 175.10 177.25 2eec s ARG 11 N -0.78 4.14 -0.40 2.72 3.00 -1.26 -4.98 118.95 121.39 2eec s ARG 11 Ca 0.12 1.71 0.04 0.00 0.00 0.00 0.00 55.73 57.60 2eec s ARG 11 Cb -0.11 -3.85 0.11 0.00 0.00 0.00 0.00 34.95 31.11 2eec s ARG 11 CO 0.01 -0.84 0.13 0.08 0.00 0.00 0.00 175.30 174.68 2eec s VAL 12 N 3.87 2.24 0.18 3.52 1.01 -1.26 -5.00 120.40 124.96 2eec s VAL 12 Ca 0.60 -2.59 0.00 0.00 0.00 0.00 0.00 61.98 59.99 2eec s VAL 12 Cb -0.24 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2eec s VAL 12 CO 0.20 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 175.23 2eec n GLY 13 N 3.91 -4.58 3.86 4.51 0.00 -1.26 -4.98 105.19 106.64 2eec n GLY 13 Ca 0.04 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 2eec n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eec s GLU 14 N -2.15 3.87 -0.36 1.61 2.02 -1.26 -4.99 118.70 117.44 2eec s GLU 14 Ca 0.00 0.70 -0.28 0.00 0.02 0.00 0.00 54.97 55.41 2eec s GLU 14 Cb 0.00 -2.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.94 2eec s GLU 14 CO 0.00 -0.13 1.71 -1.25 0.02 0.00 0.00 175.26 175.61 2eec s PRO 15 N -3.88 3.37 0.00 0.39 0.04 -1.26 -4.95 135.00 128.71 2eec s PRO 15 Ca 0.55 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2eec s PRO 15 Cb -0.10 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2eec s PRO 15 CO 0.30 -1.82 0.22 0.41 0.04 0.00 0.00 177.00 176.16 2eec n GLY 16 N 5.35 -1.69 3.64 0.56 0.00 -1.26 -4.82 105.19 106.97 2eec n GLY 16 Ca 0.21 0.33 -0.04 0.00 0.00 0.00 0.00 46.02 46.52 2eec n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2eec s GLN 17 N -0.44 0.63 -1.18 1.61 -2.07 -1.26 -4.94 119.66 112.01 2eec s GLN 17 Ca 0.00 1.36 -0.07 0.00 -1.82 0.00 0.00 55.36 54.82 2eec s GLN 17 Cb 0.00 0.55 0.01 0.00 -1.09 0.00 0.00 33.01 32.48 2eec s GLN 17 CO 0.00 -0.18 1.03 0.00 -1.32 0.00 0.00 175.29 174.82 2eec n ALA 18 N 4.96 -1.19 0.00 2.60 0.00 -1.26 -4.72 120.51 120.90 2eec n ALA 18 Ca -0.15 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2eec n ALA 18 Cb 0.53 -4.73 0.00 0.00 0.00 0.00 0.00 19.45 15.26 2eec n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eec n GLY 19 N -1.78 -0.98 3.55 0.00 0.00 -1.26 -4.93 105.19 99.78 2eec n GLY 19 Ca -0.01 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 2eec n GLY 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2eec s ASN 20 N -0.81 5.21 0.18 1.61 2.47 -1.26 -4.78 114.94 117.56 2eec s ASN 20 Ca 0.00 -0.05 -0.07 0.00 0.42 0.00 0.00 52.86 53.16 2eec s ASN 20 Cb 0.00 -1.88 0.06 0.00 -1.45 0.00 0.00 41.25 37.98 2eec s ASN 20 CO 0.00 0.14 1.52 1.55 -3.72 0.00 0.00 177.10 176.59 2eec h PRO 21 N 6.94 0.78 -0.94 0.43 0.13 -1.90 -3.16 132.00 134.29 2eec h PRO 21 Ca -0.35 -0.41 0.17 0.00 -0.87 0.00 0.00 66.00 64.54 2eec h PRO 21 Cb 1.18 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 2eec h PRO 21 CO 0.65 1.04 0.53 0.00 -0.23 0.00 0.00 178.00 179.99 2eec h ALA 22 N 0.91 1.50 -0.49 -0.56 0.00 -1.93 -0.72 119.26 117.96 2eec h ALA 22 Ca 0.05 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2eec h ALA 22 Cb 0.96 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2eec h ALA 22 CO 0.09 -0.08 0.23 -0.07 0.00 0.00 0.00 179.25 179.43 2eec h LEU 23 N 0.69 0.32 -9.52 0.00 3.38 -1.95 -3.36 115.31 104.87 2eec h LEU 23 Ca 0.53 0.03 -0.57 0.00 0.09 0.00 0.00 57.88 57.96 2eec h LEU 23 Cb 0.80 -0.02 0.06 0.00 0.09 0.00 0.00 40.66 41.58 2eec h LEU 23 CO -0.38 0.22 0.84 0.52 0.09 0.00 0.00 178.44 179.74 2eec n VAL 24 N -4.91 0.03 -4.53 1.22 0.31 -0.28 -4.94 118.33 105.24 2eec n VAL 24 Ca 0.04 -0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.12 2eec n VAL 24 Cb 0.14 -1.62 -0.11 0.00 -0.91 0.00 0.00 33.84 31.35 2eec n VAL 24 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2eec s SER 25 N 1.09 3.03 -0.01 4.52 0.15 -1.02 -3.93 113.70 117.54 2eec s SER 25 Ca 0.79 -1.38 0.01 0.00 0.70 0.00 0.00 55.95 56.06 2eec s SER 25 Cb -0.65 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 2eec s SER 25 CO 0.38 -0.55 -0.02 0.00 1.20 0.00 0.00 173.24 174.25 2eec s ALA 26 N -3.04 0.18 -0.01 5.45 0.00 -1.26 -0.58 121.76 122.49 2eec s ALA 26 Ca 0.35 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 2eec s ALA 26 Cb 0.09 -0.08 0.09 0.00 0.00 0.00 0.00 23.12 23.21 2eec s ALA 26 CO 0.16 0.02 0.75 1.52 0.00 0.00 0.00 175.76 178.22 2eec s TYR 27 N 0.12 -0.53 -4.53 0.00 -0.85 -1.06 -4.99 117.35 105.51 2eec s TYR 27 Ca -0.01 0.71 0.00 0.00 -0.52 0.00 0.00 57.07 57.25 2eec s TYR 27 Cb -0.03 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.79 2eec s TYR 27 CO -0.00 -0.61 0.00 0.41 -1.52 0.00 0.00 175.55 173.83 2eec n GLY 28 N 0.40 -0.92 0.10 5.49 0.00 -1.26 -1.84 105.19 107.16 2eec n GLY 28 Ca -0.15 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 2eec n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2eec n THR 29 N 8.16 1.66 -0.33 2.61 -1.04 -1.25 -4.05 114.28 120.04 2eec n THR 29 Ca 0.00 -0.76 -0.01 0.00 -2.04 0.00 0.00 64.05 61.24 2eec n THR 29 Cb 0.00 -1.23 0.16 0.00 -1.82 0.00 0.00 70.33 67.43 2eec n THR 29 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2eec h GLY 30 N 2.81 1.31 1.32 3.41 0.00 -1.87 -2.28 103.07 107.76 2eec h GLY 30 Ca -0.33 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.45 2eec h GLY 30 CO 0.08 0.47 0.05 1.41 0.00 0.00 0.00 176.54 178.55 2eec h LEU 31 N 1.25 0.79 -1.24 3.11 3.38 -1.93 -2.89 115.31 117.78 2eec h LEU 31 Ca 0.34 -0.18 0.44 0.00 0.09 0.00 0.00 57.88 58.57 2eec h LEU 31 Cb -0.14 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 40.27 2eec h LEU 31 CO -0.08 0.83 0.78 -0.62 0.09 0.00 0.00 178.44 179.44 2eec n GLU 32 N -4.23 -0.04 -3.01 1.13 -0.58 -0.86 -4.77 120.64 108.29 2eec n GLU 32 Ca 0.03 1.19 0.00 0.00 -0.42 0.00 0.00 57.16 57.96 2eec n GLU 32 Cb 0.28 -2.32 0.00 0.00 -0.57 0.00 0.00 31.44 28.83 2eec n GLU 32 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2eec n GLY 33 N -1.45 -0.98 3.24 0.62 0.00 -1.09 -4.99 105.19 100.53 2eec n GLY 33 Ca 0.37 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 2eec n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2eec s GLY 34 N 0.00 1.90 -0.38 -0.02 0.00 -0.88 -4.80 107.32 103.13 2eec s GLY 34 Ca 0.00 -2.00 -0.14 0.00 0.00 0.00 0.00 44.72 42.58 2eec s GLY 34 CO 0.00 0.87 0.28 -0.51 0.00 0.00 0.00 173.10 173.73 2eec s THR 35 N 1.35 5.26 -0.39 0.90 -4.23 -1.26 -2.51 115.64 114.76 2eec s THR 35 Ca 0.01 -0.50 -0.27 0.00 -1.18 0.00 0.00 61.69 59.75 2eec s THR 35 Cb -0.21 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 69.80 2eec s THR 35 CO 0.01 -0.20 0.98 -0.89 -0.54 0.00 0.00 174.62 173.98 2eec s THR 36 N 1.69 4.49 0.00 3.99 2.01 -1.26 -3.65 115.64 122.91 2eec s THR 36 Ca 0.05 1.21 0.00 0.00 0.31 0.00 0.00 61.69 63.26 2eec s THR 36 Cb -0.18 -4.41 0.00 0.00 0.01 0.00 0.00 72.50 67.92 2eec s THR 36 CO 0.10 -0.65 0.00 0.61 -0.69 0.00 0.00 174.62 173.99 2eec n GLY 37 N 4.47 2.51 3.85 4.40 0.00 -1.19 -5.01 105.19 114.22 2eec n GLY 37 Ca 0.08 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 2eec n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eec s ILE 38 N -1.10 4.68 -0.49 -0.61 1.01 -1.24 -5.02 121.20 118.43 2eec s ILE 38 Ca 0.00 0.97 -0.16 0.00 0.00 0.00 0.00 60.65 61.46 2eec s ILE 38 Cb 0.00 -3.64 0.09 0.00 0.01 0.00 0.00 42.46 38.92 2eec s ILE 38 CO 0.00 -0.14 0.42 -1.58 0.00 0.00 0.00 174.94 173.64 2eec s GLN 39 N -2.87 2.98 0.50 2.79 0.74 -1.26 -4.54 119.66 118.00 2eec s GLN 39 Ca 0.53 -1.44 -0.03 0.00 0.05 0.00 0.00 55.36 54.46 2eec s GLN 39 Cb -0.11 -4.17 -0.01 0.00 1.10 0.00 0.00 33.01 29.82 2eec s GLN 39 CO 0.18 -1.10 0.78 -1.12 -0.55 0.00 0.00 175.29 173.47 2eec s SER 40 N 2.83 5.89 -0.14 6.67 0.01 -1.24 -4.95 113.70 122.77 2eec s SER 40 Ca 0.04 0.62 -0.06 0.00 1.31 0.00 0.00 55.95 57.86 2eec s SER 40 Cb -0.26 -1.81 0.06 0.00 0.21 0.00 0.00 66.02 64.22 2eec s SER 40 CO 0.06 -0.77 0.30 -1.83 0.41 0.00 0.00 173.24 171.40 2eec s GLU 41 N -4.74 0.21 -0.05 12.44 4.04 -1.26 -3.15 118.70 126.19 2eec s GLU 41 Ca 0.49 0.73 0.05 0.00 0.04 0.00 0.00 54.97 56.29 2eec s GLU 41 Cb -0.10 -0.01 -0.01 0.00 0.02 0.00 0.00 34.13 34.03 2eec s GLU 41 CO 0.42 -0.23 -0.21 -0.59 -1.84 0.00 0.00 175.26 172.81 2eec s PHE 42 N 2.02 2.03 0.25 4.83 -0.12 -1.05 -3.78 117.98 122.16 2eec s PHE 42 Ca -0.03 -0.60 -0.07 0.00 -0.05 0.00 0.00 56.93 56.18 2eec s PHE 42 Cb -0.11 -1.35 -0.06 0.00 -0.63 0.00 0.00 43.02 40.87 2eec s PHE 42 CO -0.10 -0.19 0.53 -0.06 -0.05 0.00 0.00 175.22 175.35 2eec s PHE 43 N -0.03 3.46 -0.25 3.49 0.08 -0.77 -2.23 117.98 121.73 2eec s PHE 43 Ca -0.04 0.72 -0.04 0.00 0.12 0.00 0.00 56.93 57.69 2eec s PHE 43 Cb -0.13 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.17 2eec s PHE 43 CO 0.03 0.23 -0.00 0.42 -0.10 0.00 0.00 175.22 175.80 2eec s ILE 44 N -1.94 3.47 -0.91 0.64 1.01 -1.02 -2.55 121.20 119.90 2eec s ILE 44 Ca 0.45 -0.68 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 2eec s ILE 44 Cb -0.11 -2.70 -0.10 0.00 0.01 0.00 0.00 42.46 39.56 2eec s ILE 44 CO 0.26 0.25 2.13 0.21 0.00 0.00 0.00 174.94 177.79 2eec s ASN 45 N 1.45 4.50 -0.32 3.58 2.47 0.25 -3.92 114.94 122.95 2eec s ASN 45 Ca 0.03 -0.56 0.11 0.00 0.42 0.00 0.00 52.86 52.86 2eec s ASN 45 Cb -0.16 -2.56 0.46 0.00 -1.45 0.00 0.00 41.25 37.54 2eec s ASN 45 CO -0.01 -3.41 1.13 1.07 -3.72 0.00 0.00 177.10 172.16 2eec n THR 46 N 8.32 2.10 0.24 -5.21 5.66 -1.26 -2.44 114.28 121.69 2eec n THR 46 Ca 0.43 -4.01 0.11 0.00 -3.05 0.00 0.00 64.05 57.53 2eec n THR 46 Cb 0.45 -0.52 -0.01 0.00 -1.55 0.00 0.00 70.33 68.71 2eec n THR 46 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2eec n THR 47 N -0.58 0.39 -0.07 1.09 -2.24 -1.26 -3.44 114.28 108.17 2eec n THR 47 Ca 0.32 -0.44 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 2eec n THR 47 Cb 0.85 -0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 2eec n THR 47 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2eec n ARG 48 N -2.39 1.52 0.07 -0.78 1.74 -1.26 -4.68 116.66 110.88 2eec n ARG 48 Ca 0.00 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.00 2eec n ARG 48 Cb 0.52 -1.35 -0.07 0.00 -1.02 0.00 0.00 32.46 30.54 2eec n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2eec h ALA 49 N 0.54 -0.26 0.00 7.54 0.00 -1.87 -3.48 119.26 121.73 2eec h ALA 49 Ca -0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2eec h ALA 49 Cb 1.79 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2eec h ALA 49 CO 0.00 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.35 2eec n GLY 50 N 0.66 2.92 0.07 0.00 0.00 -1.22 -4.67 105.19 102.95 2eec n GLY 50 Ca -0.07 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 2eec n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eec h PRO 51 N 0.00 -0.05 0.00 1.61 0.13 -1.98 -3.46 132.00 128.24 2eec h PRO 51 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2eec h PRO 51 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2eec h PRO 51 CO 0.00 0.41 0.00 0.41 -0.23 0.00 0.00 178.00 178.59 2eec n GLY 52 N 0.21 1.63 2.94 1.56 0.00 -1.26 -3.81 105.19 106.46 2eec n GLY 52 Ca -0.08 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2eec n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2eec s THR 53 N 0.00 1.61 -0.39 2.61 -4.23 -1.26 -5.09 115.64 108.88 2eec s THR 53 Ca 0.00 -1.41 -0.27 0.00 -1.18 0.00 0.00 61.69 58.82 2eec s THR 53 Cb 0.00 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.93 2eec s THR 53 CO 0.00 -0.22 1.01 -0.22 -0.54 0.00 0.00 174.62 174.65 2eec s LEU 54 N 1.33 3.90 -0.30 4.79 1.98 -1.25 -4.18 118.68 124.95 2eec s LEU 54 Ca -0.02 0.60 0.03 0.00 -2.89 0.00 0.00 54.13 51.85 2eec s LEU 54 Cb -0.19 -3.38 0.08 0.00 0.66 0.00 0.00 46.19 43.36 2eec s LEU 54 CO -0.08 -0.98 -0.03 -0.44 -1.89 0.00 0.00 176.35 172.93 2eec s SER 55 N 2.01 4.60 0.07 3.68 0.01 -1.07 -5.06 113.70 117.94 2eec s SER 55 Ca 0.42 -1.78 0.05 0.00 1.31 0.00 0.00 55.95 55.95 2eec s SER 55 Cb -0.11 -1.58 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 2eec s SER 55 CO 0.22 -0.29 -0.06 0.54 0.41 0.00 0.00 173.24 174.06 2eec s VAL 56 N 1.01 3.64 0.01 3.43 0.11 -1.26 -1.00 120.40 126.33 2eec s VAL 56 Ca 0.01 -1.04 -0.08 0.00 -2.93 0.00 0.00 61.98 57.94 2eec s VAL 56 Cb -0.19 -2.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.98 2eec s VAL 56 CO -0.07 0.20 0.16 -0.89 -3.33 0.00 0.00 175.10 171.17 2eec s THR 57 N -1.18 0.09 -0.07 5.04 2.01 0.21 -4.99 115.64 116.75 2eec s THR 57 Ca 0.21 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.45 2eec s THR 57 Cb -0.11 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 71.91 2eec s THR 57 CO 0.13 -0.39 0.17 -0.63 -0.69 0.00 0.00 174.62 173.21 2eec s ILE 58 N -1.52 -0.01 0.10 1.82 1.01 -1.26 -0.01 121.20 121.32 2eec s ILE 58 Ca -0.14 0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.62 2eec s ILE 58 Cb -0.07 -0.25 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 2eec s ILE 58 CO 0.01 0.02 -0.18 -1.61 0.00 0.00 0.00 174.94 173.18 2eec s GLU 59 N 0.34 1.03 -0.09 2.79 2.02 0.78 -4.96 118.70 120.62 2eec s GLU 59 Ca -0.02 -1.13 -0.32 0.00 0.02 0.00 0.00 54.97 53.52 2eec s GLU 59 Cb -0.03 -1.17 0.13 0.00 0.10 0.00 0.00 34.13 33.16 2eec s GLU 59 CO -0.01 0.26 1.41 0.20 0.02 0.00 0.00 175.26 177.14 2eec s GLY 60 N -1.97 -0.42 0.21 -1.39 0.00 -1.26 -0.51 107.32 101.99 2eec s GLY 60 Ca 0.05 0.73 0.22 0.00 0.00 0.00 0.00 44.72 45.72 2eec s GLY 60 CO 0.04 2.01 1.66 -1.55 0.00 0.00 0.00 173.10 175.26 2eec n PRO 61 N -0.63 0.16 -3.63 2.90 -0.04 -1.26 -4.51 135.00 127.99 2eec n PRO 61 Ca -0.05 0.39 -0.23 0.00 -0.04 0.00 0.00 63.50 63.57 2eec n PRO 61 Cb 0.62 -1.80 -0.17 0.00 -0.04 0.00 0.00 33.50 32.11 2eec n PRO 61 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2eec s SER 62 N -4.01 1.79 0.42 3.54 0.01 -1.26 -5.07 113.70 109.12 2eec s SER 62 Ca 0.05 -0.30 -0.22 0.00 1.31 0.00 0.00 55.95 56.78 2eec s SER 62 Cb 0.09 -0.15 -0.13 0.00 0.21 0.00 0.00 66.02 66.05 2eec s SER 62 CO 0.36 -0.31 0.48 0.29 0.41 0.00 0.00 173.24 174.48 2eec n LYS 63 N 5.29 0.48 -4.24 12.44 4.76 -1.26 -4.76 118.16 130.87 2eec n LYS 63 Ca -0.05 0.18 -0.18 0.00 -2.87 0.00 0.00 58.31 55.39 2eec n LYS 63 Cb 0.49 -1.43 -0.13 0.00 -1.84 0.00 0.00 35.03 32.12 2eec n LYS 63 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2eec s VAL 64 N -1.49 0.87 -0.02 -0.18 -7.23 -1.26 -4.67 120.40 106.41 2eec s VAL 64 Ca 0.63 -0.92 -0.22 0.00 -1.81 0.00 0.00 61.98 59.66 2eec s VAL 64 Cb -0.61 -0.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 2eec s VAL 64 CO 0.59 -0.08 0.65 -1.59 -0.31 0.00 0.00 175.10 174.35 2eec s LYS 65 N -1.12 4.39 -0.02 4.82 0.00 -1.26 -5.03 119.74 121.51 2eec s LYS 65 Ca -0.01 0.82 0.00 0.00 0.00 0.00 0.00 55.97 56.78 2eec s LYS 65 Cb -0.08 -3.38 -0.04 0.00 0.00 0.00 0.00 37.83 34.34 2eec s LYS 65 CO 0.01 0.25 0.01 -1.64 0.00 0.00 0.00 175.35 173.98 2eec s MET 66 N 0.18 2.88 -0.83 1.78 -1.94 -1.26 -4.29 119.30 115.81 2eec s MET 66 Ca 0.34 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 53.79 2eec s MET 66 Cb -0.18 -2.73 0.22 0.00 2.01 0.00 0.00 34.83 34.15 2eec s MET 66 CO 0.18 0.65 0.78 -3.47 -0.01 0.00 0.00 175.02 173.15 2eec n ASP 67 N 1.56 4.09 -4.55 3.03 -0.08 -1.18 -5.03 116.55 114.39 2eec n ASP 67 Ca -0.15 -3.23 -0.36 0.00 -1.51 0.00 0.00 54.79 49.54 2eec n ASP 67 Cb 0.53 -0.95 -0.04 0.00 2.34 0.00 0.00 41.12 43.01 2eec n ASP 67 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2eec s GLN 69 N 8.34 2.14 0.69 0.00 2.00 -1.23 -5.10 119.66 126.49 2eec s GLN 69 Ca 1.00 -0.55 -0.13 0.00 -2.00 0.00 0.00 55.36 53.67 2eec s GLN 69 Cb -0.23 -2.08 0.01 0.00 0.80 0.00 0.00 33.01 31.52 2eec s GLN 69 CO 0.27 -0.27 1.10 -1.83 -0.50 0.00 0.00 175.29 174.06 2eec s GLU 70 N 1.51 2.69 0.04 1.67 -1.05 -1.26 -2.51 118.70 119.78 2eec s GLU 70 Ca 0.04 1.28 -0.08 0.00 -0.15 0.00 0.00 54.97 56.07 2eec s GLU 70 Cb -0.13 -1.94 -0.00 0.00 -0.44 0.00 0.00 34.13 31.61 2eec s GLU 70 CO -0.10 -1.32 0.15 0.95 0.95 0.00 0.00 175.26 175.89 2eec s THR 71 N -2.56 0.12 -1.97 1.83 -4.23 -1.26 -4.80 115.64 102.77 2eec s THR 71 Ca 0.64 -0.97 0.16 0.00 -1.18 0.00 0.00 61.69 60.34 2eec s THR 71 Cb -0.19 -0.88 0.44 0.00 1.34 0.00 0.00 72.50 73.22 2eec s THR 71 CO 0.46 -0.53 1.35 -0.81 -0.54 0.00 0.00 174.62 174.55 2eec n PRO 72 N 0.77 0.48 -0.07 3.99 -0.04 -1.26 -3.28 135.00 135.58 2eec n PRO 72 Ca -0.19 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 2eec n PRO 72 Cb 0.58 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 2eec n PRO 72 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2eec n GLU 73 N -1.01 0.33 0.00 0.54 4.07 -1.26 -5.10 120.64 118.21 2eec n GLU 73 Ca 0.12 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 2eec n GLU 73 Cb 0.06 -1.07 0.00 0.00 -0.06 0.00 0.00 31.44 30.37 2eec n GLU 73 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2eec n GLY 74 N 2.05 -1.46 3.44 8.31 0.00 -1.21 -4.36 105.19 111.97 2eec n GLY 74 Ca -0.27 0.58 0.01 0.00 0.00 0.00 0.00 46.02 46.34 2eec n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2eec s TYR 75 N 0.00 -1.06 -0.48 1.61 2.02 -1.25 -4.06 117.35 114.13 2eec s TYR 75 Ca 0.00 1.65 -0.21 0.00 -0.37 0.00 0.00 57.07 58.14 2eec s TYR 75 Cb 0.00 0.57 0.04 0.00 -0.40 0.00 0.00 41.96 42.16 2eec s TYR 75 CO 0.00 -0.54 0.71 0.21 -1.57 0.00 0.00 175.55 174.35 2eec s LYS 76 N 2.73 3.25 -0.32 -0.62 2.20 -1.04 -2.45 119.74 123.49 2eec s LYS 76 Ca -0.00 -0.48 -0.08 0.00 -0.36 0.00 0.00 55.97 55.05 2eec s LYS 76 Cb -0.10 -4.01 0.02 0.00 -1.51 0.00 0.00 37.83 32.23 2eec s LYS 76 CO -0.18 -1.17 0.11 0.08 -0.36 0.00 0.00 175.35 173.83 2eec s VAL 77 N 3.01 4.07 0.08 4.02 1.01 -0.95 -3.54 120.40 128.11 2eec s VAL 77 Ca 0.22 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.44 2eec s VAL 77 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2eec s VAL 77 CO 0.17 -0.05 -0.07 -0.04 0.00 0.00 0.00 175.10 175.12 2eec s MET 78 N 1.49 2.32 -0.22 2.72 -1.94 -1.26 -2.54 119.30 119.87 2eec s MET 78 Ca 0.01 -0.92 -0.26 0.00 -1.71 0.00 0.00 55.69 52.81 2eec s MET 78 Cb -0.18 -2.41 0.07 0.00 2.01 0.00 0.00 34.83 34.32 2eec s MET 78 CO 0.04 0.53 0.73 1.52 -0.01 0.00 0.00 175.02 177.83 2eec s TYR 79 N -1.20 -0.75 -0.26 -0.03 -0.85 -1.19 -3.12 117.35 109.95 2eec s TYR 79 Ca 0.22 1.72 0.00 0.00 -0.52 0.00 0.00 57.07 58.50 2eec s TYR 79 Cb -0.11 0.30 0.08 0.00 0.38 0.00 0.00 41.96 42.61 2eec s TYR 79 CO 0.14 -0.42 0.02 0.99 -1.52 0.00 0.00 175.55 174.76 2eec s THR 80 N 0.04 1.29 -0.11 -3.49 2.01 -1.26 -3.62 115.64 110.50 2eec s THR 80 Ca -0.02 -1.31 -0.29 0.00 0.31 0.00 0.00 61.69 60.37 2eec s THR 80 Cb -0.04 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 2eec s THR 80 CO 0.03 -0.34 1.53 -2.16 -0.69 0.00 0.00 174.62 172.98 2eec s PRO 81 N 1.46 4.16 0.21 4.92 0.04 -1.26 -4.66 135.00 139.87 2eec s PRO 81 Ca 0.01 1.97 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 2eec s PRO 81 Cb -0.18 -3.92 0.17 0.00 0.04 0.00 0.00 34.50 30.60 2eec s PRO 81 CO -0.12 -0.85 1.55 0.52 0.04 0.00 0.00 177.00 178.14 2eec h MET 82 N 9.25 0.53 -6.15 4.56 2.86 -1.86 -3.16 114.93 120.96 2eec h MET 82 Ca -0.35 -0.31 -0.57 0.00 -2.06 0.00 0.00 59.70 56.41 2eec h MET 82 Cb 1.15 0.03 -0.23 0.00 0.06 0.00 0.00 31.60 32.60 2eec h MET 82 CO 0.96 0.90 -0.83 0.00 1.06 0.00 0.00 176.91 179.00 2eec s ALA 83 N -4.07 1.80 1.23 6.32 0.00 -1.26 -4.25 121.76 121.52 2eec s ALA 83 Ca -0.07 -1.17 -0.20 0.00 0.00 0.00 0.00 51.96 50.52 2eec s ALA 83 Cb 0.12 -0.29 0.30 0.00 0.00 0.00 0.00 23.12 23.24 2eec s ALA 83 CO 0.83 0.38 1.11 -1.25 0.00 0.00 0.00 175.76 176.83 2eec s PRO 84 N -1.60 -1.42 0.00 0.00 0.04 -1.26 -4.78 135.00 125.98 2eec s PRO 84 Ca 0.07 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 60.97 2eec s PRO 84 Cb -0.09 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.87 2eec s PRO 84 CO 0.03 -3.83 0.00 0.41 0.04 0.00 0.00 177.00 173.66 2eec n GLY 85 N -0.94 0.71 3.60 0.56 0.00 -1.23 -4.81 105.19 103.08 2eec n GLY 85 Ca 0.14 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 2eec n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2eec s ASN 86 N -4.00 6.02 0.12 1.61 -0.87 -1.26 -0.70 114.94 115.86 2eec s ASN 86 Ca 0.00 0.01 0.07 0.00 -1.57 0.00 0.00 52.86 51.37 2eec s ASN 86 Cb 0.00 -2.11 -0.04 0.00 -0.02 0.00 0.00 41.25 39.08 2eec s ASN 86 CO 0.00 -0.02 -0.07 -0.31 -2.57 0.00 0.00 177.10 174.13 2eec s TYR 87 N 1.59 2.78 -0.10 2.20 1.51 -0.90 -4.32 117.35 120.11 2eec s TYR 87 Ca 0.07 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 2eec s TYR 87 Cb -0.15 -1.42 0.02 0.00 -0.11 0.00 0.00 41.96 40.29 2eec s TYR 87 CO 0.09 0.46 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.70 2eec s LEU 88 N -2.41 1.55 -0.33 -1.29 2.96 0.34 -2.69 118.68 116.81 2eec s LEU 88 Ca 0.23 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.71 2eec s LEU 88 Cb -0.11 -0.94 0.03 0.00 0.50 0.00 0.00 46.19 45.67 2eec s LEU 88 CO 0.15 -0.02 0.12 -0.63 -1.32 0.00 0.00 176.35 174.66 2eec s ILE 89 N 1.10 4.04 -0.14 6.68 1.01 -0.90 -0.15 121.20 132.84 2eec s ILE 89 Ca -0.05 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 2eec s ILE 89 Cb -0.14 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 2eec s ILE 89 CO -0.02 -0.10 0.00 -0.55 0.00 0.00 0.00 174.94 174.27 2eec s SER 90 N 1.47 5.18 -0.01 3.58 0.15 0.98 -1.94 113.70 123.11 2eec s SER 90 Ca 0.01 0.02 0.03 0.00 0.70 0.00 0.00 55.95 56.71 2eec s SER 90 Cb -0.19 -1.73 -0.01 0.00 -1.71 0.00 0.00 66.02 62.39 2eec s SER 90 CO 0.04 0.24 -0.10 -0.69 1.20 0.00 0.00 173.24 173.93 2eec s VAL 91 N -0.06 0.79 0.01 4.45 1.01 -1.26 0.66 120.40 126.00 2eec s VAL 91 Ca 0.04 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2eec s VAL 91 Cb -0.13 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 2eec s VAL 91 CO 0.02 0.23 -0.03 -0.54 0.00 0.00 0.00 175.10 174.77 2eec s LYS 92 N -0.20 0.28 -0.20 2.72 1.02 -0.17 -3.23 119.74 119.95 2eec s LYS 92 Ca 0.03 -0.27 -0.04 0.00 0.02 0.00 0.00 55.97 55.71 2eec s LYS 92 Cb -0.04 -0.18 0.07 0.00 -0.52 0.00 0.00 37.83 37.16 2eec s LYS 92 CO -0.00 0.04 0.09 -0.47 -0.92 0.00 0.00 175.35 174.09 2eec s TYR 93 N -0.45 0.39 -0.25 3.18 5.04 -1.24 -2.60 117.35 121.41 2eec s TYR 93 Ca -0.03 -0.55 -0.02 0.00 -2.44 0.00 0.00 57.07 54.03 2eec s TYR 93 Cb -0.04 -0.82 0.00 0.00 0.35 0.00 0.00 41.96 41.46 2eec s TYR 93 CO -0.00 -0.60 0.27 0.41 -1.34 0.00 0.00 175.55 174.28 2eec n GLY 94 N 5.22 -0.77 0.00 8.97 0.00 -1.26 -4.18 105.19 113.17 2eec n GLY 94 Ca -0.07 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2eec n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eec n GLY 95 N -1.00 1.23 0.00 -0.02 0.00 -1.26 -4.61 105.19 99.53 2eec n GLY 95 Ca 0.02 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 44.02 2eec n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eec n PRO 96 N 0.73 0.23 -2.19 1.61 -0.04 -1.26 -4.78 135.00 129.29 2eec n PRO 96 Ca 0.00 0.13 -0.41 0.00 -0.04 0.00 0.00 63.50 63.19 2eec n PRO 96 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2eec n PRO 96 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2eec s ASN 97 N -2.52 6.88 0.57 3.54 6.03 -1.26 -5.01 114.94 123.16 2eec s ASN 97 Ca 0.15 2.54 -0.01 0.00 -1.03 0.00 0.00 52.86 54.51 2eec s ASN 97 Cb 0.10 -2.63 0.03 0.00 -3.03 0.00 0.00 41.25 35.72 2eec s ASN 97 CO 0.22 -0.48 0.82 -1.38 -2.03 0.00 0.00 177.10 174.25 2eec s HIS 98 N -0.73 2.94 0.57 1.54 -3.43 -1.26 -3.71 115.29 111.21 2eec s HIS 98 Ca 0.51 0.15 0.01 0.00 -0.80 0.00 0.00 55.06 54.93 2eec s HIS 98 Cb -0.38 -2.79 0.05 0.00 -1.43 0.00 0.00 32.58 28.03 2eec s HIS 98 CO 0.46 -0.91 0.80 0.96 -2.00 0.00 0.00 174.74 174.05 2eec s ILE 99 N -2.85 2.59 0.29 -5.38 -4.36 -1.20 -4.50 121.20 105.80 2eec s ILE 99 Ca 0.57 -0.66 -0.30 0.00 -0.26 0.00 0.00 60.65 59.99 2eec s ILE 99 Cb -0.10 -2.93 -0.11 0.00 1.25 0.00 0.00 42.46 40.57 2eec s ILE 99 CO 0.40 0.00 1.51 -0.69 0.24 0.00 0.00 174.94 176.40 2eec s VAL 100 N -2.80 2.29 0.00 8.37 1.01 -1.25 -2.60 120.40 125.41 2eec s VAL 100 Ca 0.58 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2eec s VAL 100 Cb -0.10 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2eec s VAL 100 CO 0.39 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2eec n GLY 101 N 1.86 2.19 3.78 4.51 0.00 -1.26 -4.72 105.19 111.54 2eec n GLY 101 Ca 0.06 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2eec n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eec s SER 102 N 0.00 5.71 1.08 1.61 0.15 -1.07 -4.37 113.70 116.82 2eec s SER 102 Ca 0.00 2.13 -0.15 0.00 0.70 0.00 0.00 55.95 58.63 2eec s SER 102 Cb 0.00 -2.58 0.23 0.00 -1.71 0.00 0.00 66.02 61.96 2eec s SER 102 CO 0.00 -1.22 1.10 -2.16 1.20 0.00 0.00 173.24 172.16 2eec s PRO 103 N -3.38 -0.23 -0.16 5.44 0.04 -1.26 -4.73 135.00 130.72 2eec s PRO 103 Ca 0.72 0.29 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2eec s PRO 103 Cb -0.23 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 2eec s PRO 103 CO 0.28 -3.12 -0.15 -0.06 0.04 0.00 0.00 177.00 173.99 2eec s PHE 104 N -2.98 2.79 -0.78 0.56 0.08 -0.82 -4.96 117.98 111.87 2eec s PHE 104 Ca 0.67 -1.06 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 2eec s PHE 104 Cb -0.16 -1.90 0.20 0.00 -0.57 0.00 0.00 43.02 40.60 2eec s PHE 104 CO 0.57 -0.49 0.68 0.15 -0.10 0.00 0.00 175.22 176.03 2eec s LYS 105 N 0.86 3.33 -0.14 0.44 1.02 -1.26 -2.13 119.74 121.87 2eec s LYS 105 Ca -0.04 -2.50 -0.07 0.00 0.02 0.00 0.00 55.97 53.37 2eec s LYS 105 Cb -0.15 -4.24 -0.04 0.00 -0.52 0.00 0.00 37.83 32.88 2eec s LYS 105 CO -0.01 -1.26 0.13 0.00 -0.92 0.00 0.00 175.35 173.30 2eec s ALA 106 N 0.07 3.82 -0.20 5.17 0.00 -1.09 -5.01 121.76 124.52 2eec s ALA 106 Ca 0.18 -0.65 -0.09 0.00 0.00 0.00 0.00 51.96 51.40 2eec s ALA 106 Cb -0.13 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 2eec s ALA 106 CO -0.07 0.53 0.10 0.21 0.00 0.00 0.00 175.76 176.52 2eec s LYS 107 N -0.74 4.02 0.01 0.00 2.20 -1.26 -2.12 119.74 121.84 2eec s LYS 107 Ca 0.13 -0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 55.32 2eec s LYS 107 Cb -0.12 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 2eec s LYS 107 CO 0.03 0.20 0.35 0.08 -0.36 0.00 0.00 175.35 175.65 2eec s VAL 108 N 0.60 5.14 0.56 4.02 1.01 0.13 -2.07 120.40 129.79 2eec s VAL 108 Ca 0.05 0.56 0.09 0.00 0.00 0.00 0.00 61.98 62.68 2eec s VAL 108 Cb -0.13 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.70 2eec s VAL 108 CO 0.01 0.47 0.73 0.42 0.00 0.00 0.00 175.10 176.73 2eec s THR 109 N -1.20 2.14 0.00 3.92 -4.23 -1.04 -3.48 115.64 111.75 2eec s THR 109 Ca 0.26 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 2eec s THR 109 Cb -0.15 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.50 2eec s THR 109 CO 0.14 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 2eec n GLY 110 N -2.16 -3.77 1.08 3.99 0.00 -1.26 -4.52 105.19 98.55 2eec n GLY 110 Ca 0.13 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2eec n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eec n GLN 111 N -0.25 0.00 -3.38 1.61 10.64 -1.26 -4.78 117.38 119.96 2eec n GLN 111 Ca 0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.19 2eec n GLN 111 Cb 0.00 -0.47 -0.04 0.00 -0.86 0.00 0.00 30.24 28.86 2eec n GLN 111 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 2eec s ARG 112 N -2.00 0.21 0.55 2.61 6.06 -1.26 -4.50 118.95 120.62 2eec s ARG 112 Ca 0.00 0.50 -0.21 0.00 -2.50 0.00 0.00 55.73 53.52 2eec s ARG 112 Cb 0.00 0.27 -0.05 0.00 0.06 0.00 0.00 34.95 35.22 2eec s ARG 112 CO 0.00 -0.07 1.28 1.28 -2.50 0.00 0.00 175.30 175.30 2eec n LEU 113 N 4.60 5.12 -4.75 -0.88 4.77 -1.26 -4.95 117.00 119.65 2eec n LEU 113 Ca -0.10 0.96 -0.40 0.00 -0.03 0.00 0.00 56.01 56.43 2eec n LEU 113 Cb 0.54 -1.54 -0.05 0.00 -2.33 0.00 0.00 43.42 40.05 2eec n LEU 113 CO -0.03 -0.82 0.76 -0.69 -1.33 0.00 0.00 177.39 175.28 2eec s VAL 114 N -1.32 3.79 0.67 4.08 1.01 -1.26 -4.99 120.40 122.38 2eec s VAL 114 Ca 0.72 1.69 -0.17 0.00 0.00 0.00 0.00 61.98 64.22 2eec s VAL 114 Cb -0.43 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 31.79 2eec s VAL 114 CO 0.49 0.36 0.25 -1.54 0.00 0.00 0.00 175.10 174.66 2eec n SER 115 N 1.73 -2.19 0.00 3.32 3.41 -1.26 -4.82 113.62 113.81 2eec n SER 115 Ca 0.00 0.60 0.07 0.00 -0.26 0.00 0.00 58.87 59.28 2eec n SER 115 Cb 0.46 -1.08 0.35 0.00 -0.26 0.00 0.00 64.21 63.68 2eec n SER 115 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2eec n PRO 116 N 0.22 0.16 -0.98 4.33 -0.04 -1.26 -4.77 135.00 132.65 2eec n PRO 116 Ca 0.09 0.17 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 2eec n PRO 116 Cb 0.49 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.53 2eec n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2eec n GLY 117 N -0.03 -0.78 3.42 0.55 0.00 -1.26 -5.12 105.19 101.97 2eec n GLY 117 Ca 0.06 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 2eec n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eec s SER 118 N -3.01 -0.26 -0.13 1.61 0.15 -1.26 -5.15 113.70 105.64 2eec s SER 118 Ca 0.32 -0.40 -0.00 0.00 0.70 0.00 0.00 55.95 56.56 2eec s SER 118 Cb -0.01 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 64.86 2eec s SER 118 CO 0.22 -0.96 -0.07 0.00 1.20 0.00 0.00 173.24 173.63 2eec s ALA 119 N -3.84 1.41 -0.29 5.45 0.00 -1.26 -5.11 121.76 118.12 2eec s ALA 119 Ca 0.07 -0.66 -0.14 0.00 0.00 0.00 0.00 51.96 51.22 2eec s ALA 119 Cb 0.00 -0.99 0.11 0.00 0.00 0.00 0.00 23.12 22.24 2eec s ALA 119 CO -0.07 -0.54 0.73 0.54 0.00 0.00 0.00 175.76 176.42 2eec s ASN 120 N 1.67 -0.94 -0.22 0.00 2.20 -1.26 -5.15 114.94 111.25 2eec s ASN 120 Ca 0.04 1.42 -0.03 0.00 -0.94 0.00 0.00 52.86 53.35 2eec s ASN 120 Cb -0.13 1.68 0.00 0.00 -2.00 0.00 0.00 41.25 40.80 2eec s ASN 120 CO -0.08 -0.21 -0.07 -0.70 -2.94 0.00 0.00 177.10 173.09 2eec s GLU 121 N 2.06 3.24 -0.09 3.55 2.56 -1.26 -5.09 118.70 123.67 2eec s GLU 121 Ca -0.08 -0.71 -0.00 0.00 0.00 0.00 0.00 54.97 54.18 2eec s GLU 121 Cb -0.07 -2.92 0.02 0.00 2.00 0.00 0.00 34.13 33.16 2eec s GLU 121 CO -0.19 -0.22 -0.05 0.95 -0.56 0.00 0.00 175.26 175.19 2eec s THR 122 N 1.43 0.75 0.52 -1.70 -4.23 -1.26 -5.13 115.64 106.02 2eec s THR 122 Ca 0.05 -0.14 -0.22 0.00 -1.18 0.00 0.00 61.69 60.20 2eec s THR 122 Cb -0.14 -0.81 -0.06 0.00 1.34 0.00 0.00 72.50 72.83 2eec s THR 122 CO -0.05 0.31 1.30 -0.44 -0.54 0.00 0.00 174.62 175.20 2eec s SER 123 N 1.62 5.54 0.29 3.99 0.01 -1.26 -5.03 113.70 118.87 2eec s SER 123 Ca 0.01 2.62 -0.15 0.00 1.31 0.00 0.00 55.95 59.75 2eec s SER 123 Cb -0.13 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.49 2eec s SER 123 CO -0.05 -1.37 0.61 -0.44 0.41 0.00 0.00 173.24 172.40 2eec s SER 124 N -1.08 -0.02 0.00 2.44 0.01 -1.26 -5.35 113.70 108.44 2eec s SER 124 Ca 0.69 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2eec s SER 124 Cb -0.37 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2eec s SER 124 CO 0.44 -1.33 0.00 2.30 0.41 0.00 0.00 173.24 175.06