#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v62 n SER 2 N 0.00 -5.91 -4.00 1.61 2.88 -1.26 -4.99 113.62 101.95 1v62 n SER 2 Ca 0.00 -0.13 -0.21 0.00 -1.33 0.00 0.00 58.87 57.20 1v62 n SER 2 Cb 0.00 -4.84 -0.16 0.00 -0.75 0.00 0.00 64.21 58.47 1v62 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v62 s SER 3 N -2.35 1.25 -0.49 -3.46 0.15 -1.26 -5.07 113.70 102.47 1v62 s SER 3 Ca 0.13 -0.19 0.07 0.00 0.70 0.00 0.00 55.95 56.65 1v62 s SER 3 Cb -0.06 -0.35 0.19 0.00 -1.71 0.00 0.00 66.02 64.10 1v62 s SER 3 CO 0.15 0.07 0.70 -0.83 1.20 0.00 0.00 173.24 174.53 1v62 s GLY 4 N 0.21 -1.23 -1.37 9.45 0.00 -1.26 -4.95 107.32 108.16 1v62 s GLY 4 Ca -0.04 -0.29 -0.08 0.00 0.00 0.00 0.00 44.72 44.31 1v62 s GLY 4 CO 0.01 3.64 1.12 -1.14 0.00 0.00 0.00 173.10 176.73 1v62 n SER 5 N 3.29 -5.49 -4.10 1.64 3.41 -1.26 -5.00 113.62 106.11 1v62 n SER 5 Ca 0.16 -0.59 -0.12 0.00 -0.26 0.00 0.00 58.87 58.06 1v62 n SER 5 Cb 0.56 -4.84 -0.11 0.00 -0.26 0.00 0.00 64.21 59.56 1v62 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1v62 s SER 6 N -3.47 0.94 0.00 4.04 0.01 -1.26 -5.02 113.70 108.93 1v62 s SER 6 Ca 0.51 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1v62 s SER 6 Cb -0.23 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1v62 s SER 6 CO 0.75 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.71 1v62 n GLY 7 N 0.94 1.25 0.01 3.44 0.00 -1.26 -5.02 105.19 104.55 1v62 n GLY 7 Ca -0.19 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.74 1v62 n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1v62 n ASP 8 N 0.00 2.15 -3.44 1.61 -0.08 -1.26 -5.01 116.55 110.51 1v62 n ASP 8 Ca 0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 1v62 n ASP 8 Cb 0.00 1.47 -0.05 0.00 2.34 0.00 0.00 41.12 44.88 1v62 n ASP 8 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1v62 s THR 9 N -2.79 -0.09 0.47 5.18 -1.32 -1.26 -5.19 115.64 110.64 1v62 s THR 9 Ca -0.05 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.45 1v62 s THR 9 Cb 0.07 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 70.06 1v62 s THR 9 CO 0.51 0.00 0.05 1.33 -2.21 0.00 0.00 174.62 174.30 1v62 n VAL 10 N 3.97 0.00 -2.55 5.08 0.24 -1.26 -5.01 118.33 118.79 1v62 n VAL 10 Ca -0.12 -2.36 -0.05 0.00 -2.04 0.00 0.00 64.34 59.77 1v62 n VAL 10 Cb 0.56 0.59 -0.04 0.00 -1.47 0.00 0.00 33.84 33.48 1v62 n VAL 10 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1v62 n ALA 11 N -1.31 -3.67 -2.51 2.33 0.00 -1.26 -5.05 120.51 109.05 1v62 n ALA 11 Ca -0.19 2.06 -0.24 0.00 0.00 0.00 0.00 53.44 55.06 1v62 n ALA 11 Cb 0.63 -4.02 -0.15 0.00 0.00 0.00 0.00 19.45 15.91 1v62 n ALA 11 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1v62 s ASN 12 N -0.78 2.03 -0.41 0.00 3.84 -1.26 -4.91 114.94 113.45 1v62 s ASN 12 Ca -0.24 -0.33 -0.15 0.00 0.21 0.00 0.00 52.86 52.35 1v62 s ASN 12 Cb 0.02 -0.22 0.02 0.00 -0.55 0.00 0.00 41.25 40.52 1v62 s ASN 12 CO 0.76 0.20 0.56 0.00 -2.79 0.00 0.00 177.10 175.83 1v62 n ALA 13 N 2.56 -3.03 -0.10 1.71 0.00 -1.26 -5.00 120.51 115.39 1v62 n ALA 13 Ca -0.15 1.12 -0.19 0.00 0.00 0.00 0.00 53.44 54.22 1v62 n ALA 13 Cb 0.54 -3.59 -0.10 0.00 0.00 0.00 0.00 19.45 16.30 1v62 n ALA 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1v62 n SER 14 N -0.28 1.85 0.00 0.00 7.64 -1.26 -5.09 113.62 116.48 1v62 n SER 14 Ca 0.11 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1v62 n SER 14 Cb 0.43 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1v62 n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v62 n GLY 15 N 1.46 -1.59 3.13 0.23 0.00 -1.26 -5.15 105.19 102.01 1v62 n GLY 15 Ca -0.28 0.61 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 1v62 n GLY 15 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1v62 n PRO 16 N 0.00 -2.87 -4.46 1.61 -0.02 -1.26 -4.72 135.00 123.28 1v62 n PRO 16 Ca 0.00 -0.85 -0.33 0.00 -2.02 0.00 0.00 63.50 60.30 1v62 n PRO 16 Cb 0.00 -1.66 -0.15 0.00 -0.02 0.00 0.00 33.50 31.67 1v62 n PRO 16 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1v62 s LEU 17 N -2.57 2.45 -0.87 2.45 2.96 0.13 -4.86 118.68 118.38 1v62 s LEU 17 Ca 0.49 -0.49 -0.21 0.00 -0.22 0.00 0.00 54.13 53.70 1v62 s LEU 17 Cb -0.10 -1.56 0.09 0.00 0.50 0.00 0.00 46.19 45.12 1v62 s LEU 17 CO 0.46 0.07 1.18 -0.04 -1.32 0.00 0.00 176.35 176.70 1v62 s MET 18 N 0.90 3.45 -0.43 1.98 -1.94 -1.26 0.82 119.30 122.82 1v62 s MET 18 Ca -0.04 -1.27 -0.25 0.00 -1.71 0.00 0.00 55.69 52.42 1v62 s MET 18 Cb -0.15 -4.80 0.02 0.00 2.01 0.00 0.00 34.83 31.91 1v62 s MET 18 CO -0.02 -1.92 0.91 0.08 -0.01 0.00 0.00 175.02 174.07 1v62 s VAL 19 N 3.79 4.53 0.08 -6.03 1.01 0.28 -4.62 120.40 119.44 1v62 s VAL 19 Ca 0.33 0.88 0.02 0.00 0.00 0.00 0.00 61.98 63.22 1v62 s VAL 19 Cb -0.07 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1v62 s VAL 19 CO -0.03 -0.71 0.16 -1.61 0.00 0.00 0.00 175.10 172.91 1v62 s GLU 20 N 3.61 3.18 -0.15 2.72 2.02 -1.26 -1.01 118.70 127.82 1v62 s GLU 20 Ca 0.37 -0.59 -0.04 0.00 0.02 0.00 0.00 54.97 54.73 1v62 s GLU 20 Cb -0.11 -2.88 0.06 0.00 0.10 0.00 0.00 34.13 31.30 1v62 s GLU 20 CO 0.23 0.57 0.12 0.42 0.02 0.00 0.00 175.26 176.63 1v62 s ILE 21 N -1.50 -0.16 -1.19 -1.63 1.01 -1.16 -4.63 121.20 111.93 1v62 s ILE 21 Ca 0.32 -0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.75 1v62 s ILE 21 Cb -0.12 -0.50 -0.09 0.00 0.01 0.00 0.00 42.46 41.76 1v62 s ILE 21 CO 0.25 -0.14 1.93 0.54 0.00 0.00 0.00 174.94 177.52 1v62 s VAL 22 N 2.20 3.55 0.71 2.92 0.11 -1.26 -2.73 120.40 125.90 1v62 s VAL 22 Ca 0.04 -0.94 -0.05 0.00 -2.93 0.00 0.00 61.98 58.10 1v62 s VAL 22 Cb -0.15 -4.59 0.09 0.00 -1.53 0.00 0.00 36.38 30.20 1v62 s VAL 22 CO -0.08 -1.00 1.00 -1.59 -3.33 0.00 0.00 175.10 170.10 1v62 s LYS 23 N 6.44 1.94 0.51 1.54 -2.85 -0.86 -5.02 119.74 121.44 1v62 s LYS 23 Ca 0.68 -0.60 -0.23 0.00 -1.00 0.00 0.00 55.97 54.83 1v62 s LYS 23 Cb -0.01 -2.23 -0.06 0.00 -2.06 0.00 0.00 37.83 33.47 1v62 s LYS 23 CO 0.14 -1.34 1.31 0.95 0.10 0.00 0.00 175.35 176.51 1v62 s THR 24 N -3.21 2.37 -0.44 3.79 -4.23 -1.26 -4.67 115.64 107.99 1v62 s THR 24 Ca 0.63 0.29 -0.28 0.00 -1.18 0.00 0.00 61.69 61.14 1v62 s THR 24 Cb -0.08 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1v62 s THR 24 CO 0.44 0.00 1.53 -2.16 -0.54 0.00 0.00 174.62 173.89 1v62 s PRO 25 N -2.77 3.40 0.00 3.99 0.04 -1.26 -2.90 135.00 135.50 1v62 s PRO 25 Ca 0.68 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1v62 s PRO 25 Cb -0.37 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.06 1v62 s PRO 25 CO 0.45 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 176.11 1v62 n GLY 26 N 5.24 0.60 3.24 0.56 0.00 -1.16 -5.03 105.19 108.62 1v62 n GLY 26 Ca 0.17 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 1v62 n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v62 s SER 27 N -2.84 0.51 0.00 1.61 0.01 -1.14 -5.13 113.70 106.72 1v62 s SER 27 Ca 0.00 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.88 1v62 s SER 27 Cb 0.00 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1v62 s SER 27 CO 0.00 -0.79 0.00 0.00 0.41 0.00 0.00 173.24 172.86 1v62 n ALA 28 N -0.32 0.00 0.05 1.44 0.00 -1.26 -4.69 120.51 115.72 1v62 n ALA 28 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1v62 n ALA 28 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1v62 n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1v62 n LEU 29 N 0.00 0.13 0.00 0.00 4.77 -1.26 -4.77 117.00 115.87 1v62 n LEU 29 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1v62 n LEU 29 Cb 0.00 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1v62 n LEU 29 CO 0.00 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.05 1v62 n GLY 30 N 2.26 0.16 3.61 -0.72 0.00 -1.26 -4.90 105.19 104.35 1v62 n GLY 30 Ca 0.00 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1v62 n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v62 s ILE 31 N 0.00 4.74 -0.32 -0.61 1.01 -1.26 -2.11 121.20 122.65 1v62 s ILE 31 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 60.65 60.51 1v62 s ILE 31 Cb 0.00 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.32 1v62 s ILE 31 CO 0.00 0.44 0.15 -0.44 0.00 0.00 0.00 174.94 175.09 1v62 s SER 32 N 0.57 5.51 0.86 3.58 0.01 -0.34 -5.02 113.70 118.87 1v62 s SER 32 Ca 0.03 -0.70 -0.07 0.00 1.31 0.00 0.00 55.95 56.52 1v62 s SER 32 Cb -0.13 -1.98 0.14 0.00 0.21 0.00 0.00 66.02 64.26 1v62 s SER 32 CO 0.01 -0.25 0.89 0.18 0.41 0.00 0.00 173.24 174.49 1v62 n LEU 33 N 4.96 0.00 -3.40 2.44 4.77 -1.26 -0.34 117.00 124.17 1v62 n LEU 33 Ca -0.13 -1.29 0.02 0.00 -0.03 0.00 0.00 56.01 54.57 1v62 n LEU 33 Cb 0.48 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1v62 n LEU 33 CO 0.34 -1.07 0.52 0.28 -1.33 0.00 0.00 177.39 176.13 1v62 s THR 34 N -2.80 -0.60 -0.16 -5.08 -1.32 0.36 -4.21 115.64 101.84 1v62 s THR 34 Ca 0.54 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.80 1v62 s THR 34 Cb -0.02 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1v62 s THR 34 CO 0.37 0.00 0.64 0.42 -2.21 0.00 0.00 174.62 173.84 1v62 s THR 35 N 2.61 5.04 0.35 5.08 -4.23 -1.26 -1.28 115.64 121.94 1v62 s THR 35 Ca -0.01 1.25 0.03 0.00 -1.18 0.00 0.00 61.69 61.78 1v62 s THR 35 Cb -0.08 -3.97 0.03 0.00 1.34 0.00 0.00 72.50 69.82 1v62 s THR 35 CO -0.17 0.16 0.21 0.35 -0.54 0.00 0.00 174.62 174.63 1v62 n THR 36 N 4.36 0.00 -4.73 3.99 -2.24 -1.16 -4.97 114.28 109.53 1v62 n THR 36 Ca -0.02 -1.45 -0.32 0.00 -2.27 0.00 0.00 64.05 59.99 1v62 n THR 36 Cb 0.50 -0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.57 1v62 n THR 36 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1v62 s SER 37 N -3.04 3.93 0.21 3.42 0.15 -1.26 -2.85 113.70 114.25 1v62 s SER 37 Ca 0.16 -1.66 0.00 0.00 0.70 0.00 0.00 55.95 55.15 1v62 s SER 37 Cb -0.01 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1v62 s SER 37 CO 0.10 -0.87 0.00 0.18 1.20 0.00 0.00 173.24 173.85 1v62 n LEU 38 N -1.21 -1.11 0.00 3.45 4.77 -1.26 -4.80 117.00 116.83 1v62 n LEU 38 Ca -0.17 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1v62 n LEU 38 Cb 0.67 1.21 0.00 0.00 -2.33 0.00 0.00 43.42 42.96 1v62 n LEU 38 CO 0.37 -0.39 0.00 -1.14 -1.33 0.00 0.00 177.39 174.90 1v62 n ARG 39 N -3.04 0.00 -1.18 3.23 0.63 -1.26 -4.98 116.66 110.07 1v62 n ARG 39 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 1v62 n ARG 39 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1v62 n ARG 39 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1v62 n ASN 40 N -0.63 -0.83 -3.13 6.15 3.02 -1.26 -5.07 115.26 113.51 1v62 n ASN 40 Ca 0.00 -2.02 0.06 0.00 -0.03 0.00 0.00 54.58 52.59 1v62 n ASN 40 Cb 0.00 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1v62 n ASN 40 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1v62 s LYS 41 N -0.02 0.07 -0.03 3.52 2.20 -1.26 -5.14 119.74 119.09 1v62 s LYS 41 Ca 0.04 0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 55.41 1v62 s LYS 41 Cb 0.07 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 1v62 s LYS 41 CO -0.02 -0.13 1.26 -1.54 -0.36 0.00 0.00 175.35 174.56 1v62 s SER 42 N 2.94 6.99 -0.22 1.43 1.04 -1.26 -4.26 113.70 120.36 1v62 s SER 42 Ca 0.30 1.93 -0.06 0.00 0.48 0.00 0.00 55.95 58.60 1v62 s SER 42 Cb -0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 1v62 s SER 42 CO -0.22 -0.62 0.04 -0.69 0.98 0.00 0.00 173.24 172.73 1v62 s VAL 43 N 2.15 4.19 0.22 5.02 1.01 -1.13 -4.89 120.40 126.97 1v62 s VAL 43 Ca 0.59 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 1v62 s VAL 43 Cb -0.27 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 1v62 s VAL 43 CO 0.24 0.39 1.27 -0.63 0.00 0.00 0.00 175.10 176.37 1v62 s ILE 44 N 1.21 3.22 0.32 2.22 1.09 -1.26 -2.99 121.20 125.01 1v62 s ILE 44 Ca 0.04 1.06 0.05 0.00 -1.10 0.00 0.00 60.65 60.70 1v62 s ILE 44 Cb -0.14 -3.68 -0.02 0.00 -1.06 0.00 0.00 42.46 37.56 1v62 s ILE 44 CO 0.02 0.18 0.20 0.35 -0.10 0.00 0.00 174.94 175.60 1v62 n THR 45 N 2.18 0.00 -3.38 2.92 -2.24 -0.40 -2.02 114.28 111.34 1v62 n THR 45 Ca 0.04 -2.11 -0.38 0.00 -2.27 0.00 0.00 64.05 59.33 1v62 n THR 45 Cb 0.43 0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 1v62 n THR 45 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1v62 s ILE 46 N -3.06 4.93 -0.10 2.28 1.01 -1.14 -0.48 121.20 124.64 1v62 s ILE 46 Ca 0.28 1.01 -0.08 0.00 0.00 0.00 0.00 60.65 61.86 1v62 s ILE 46 Cb 0.01 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1v62 s ILE 46 CO 0.20 0.54 -0.16 -0.67 0.00 0.00 0.00 174.94 174.84 1v62 n ASP 47 N 2.02 1.09 -3.82 3.58 2.03 0.54 -2.12 116.55 119.86 1v62 n ASP 47 Ca -0.12 0.30 -0.09 0.00 0.52 0.00 0.00 54.79 55.40 1v62 n ASP 47 Cb 0.52 -0.67 -0.04 0.00 -0.72 0.00 0.00 41.12 40.21 1v62 n ASP 47 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1v62 s ARG 48 N -1.95 1.48 0.25 -0.67 3.52 -0.39 -4.54 118.95 116.64 1v62 s ARG 48 Ca -0.14 -0.98 0.10 0.00 -0.13 0.00 0.00 55.73 54.58 1v62 s ARG 48 Cb 0.02 0.52 -0.05 0.00 -1.56 0.00 0.00 34.95 33.88 1v62 s ARG 48 CO 0.20 -0.63 -0.17 0.42 -0.81 0.00 0.00 175.30 174.30 1v62 s ILE 49 N -3.92 2.16 0.10 4.11 1.01 -1.26 -1.20 121.20 122.20 1v62 s ILE 49 Ca 0.13 -2.32 -0.20 0.00 0.00 0.00 0.00 60.65 58.25 1v62 s ILE 49 Cb -0.02 -2.20 -0.07 0.00 0.01 0.00 0.00 42.46 40.19 1v62 s ILE 49 CO 0.02 -0.48 0.61 -0.54 0.00 0.00 0.00 174.94 174.55 1v62 s LYS 50 N -3.57 4.25 0.54 2.79 3.01 -0.89 -4.97 119.74 120.89 1v62 s LYS 50 Ca 0.27 0.80 -0.18 0.00 -1.01 0.00 0.00 55.97 55.84 1v62 s LYS 50 Cb -0.03 -3.21 -0.06 0.00 -1.01 0.00 0.00 37.83 33.52 1v62 s LYS 50 CO 0.12 0.61 1.06 -1.25 0.51 0.00 0.00 175.35 176.40 1v62 s PRO 51 N -1.20 3.53 -1.71 -1.68 0.04 -1.26 -3.49 135.00 129.22 1v62 s PRO 51 Ca 0.31 1.35 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1v62 s PRO 51 Cb -0.20 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1v62 s PRO 51 CO 0.20 -0.66 0.07 0.00 0.04 0.00 0.00 177.00 176.65 1v62 n ALA 52 N -1.43 -0.67 -2.20 8.56 0.00 -1.26 -4.98 120.51 118.52 1v62 n ALA 52 Ca 0.10 0.18 -0.22 0.00 0.00 0.00 0.00 53.44 53.50 1v62 n ALA 52 Cb 0.52 -2.34 0.01 0.00 0.00 0.00 0.00 19.45 17.64 1v62 n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1v62 s SER 53 N -2.12 5.01 0.33 0.00 0.15 -1.23 -4.92 113.70 110.92 1v62 s SER 53 Ca 0.04 -0.89 0.10 0.00 0.70 0.00 0.00 55.95 55.90 1v62 s SER 53 Cb -0.02 -0.06 0.58 0.00 -1.71 0.00 0.00 66.02 64.82 1v62 s SER 53 CO 0.04 -0.98 1.76 0.58 1.20 0.00 0.00 173.24 175.84 1v62 h VAL 54 N 0.67 1.29 0.17 4.45 2.07 -1.91 0.27 116.25 123.26 1v62 h VAL 54 Ca -0.37 -1.40 -0.28 0.00 0.82 0.00 0.00 66.70 65.47 1v62 h VAL 54 Cb 1.28 1.68 0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1v62 h VAL 54 CO 0.51 0.41 -1.36 0.58 0.02 0.00 0.00 177.57 177.73 1v62 h VAL 55 N 0.11 1.18 -0.37 2.57 2.07 -1.95 -2.35 116.25 117.49 1v62 h VAL 55 Ca 0.01 -2.52 -0.08 0.00 0.82 0.00 0.00 66.70 64.93 1v62 h VAL 55 Cb 0.73 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1v62 h VAL 55 CO 0.05 0.76 -0.09 -0.78 0.02 0.00 0.00 177.57 177.54 1v62 h ASP 56 N -0.14 0.72 -0.12 0.57 1.82 -1.74 0.39 116.42 117.92 1v62 h ASP 56 Ca -0.27 -0.36 -0.18 0.00 -0.39 0.00 0.00 57.03 55.83 1v62 h ASP 56 Cb 1.89 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 41.70 1v62 h ASP 56 CO 0.15 0.92 -0.60 0.03 -1.61 0.00 0.00 179.24 178.14 1v62 h ARG 57 N 0.52 0.73 -0.03 0.28 3.08 -1.09 -3.28 114.38 114.59 1v62 h ARG 57 Ca 0.09 -0.49 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 1v62 h ARG 57 Cb 0.61 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1v62 h ARG 57 CO 0.04 1.11 -0.11 1.03 -1.07 0.00 0.00 179.97 180.97 1v62 h SER 58 N 0.55 0.14 -0.42 7.04 0.87 -1.37 -3.49 113.55 116.87 1v62 h SER 58 Ca -0.00 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1v62 h SER 58 Cb 1.18 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1v62 h SER 58 CO 0.12 0.75 0.00 0.61 -0.53 0.00 0.00 176.83 177.78 1v62 n GLY 59 N 0.63 0.92 0.00 5.77 0.00 0.14 -4.97 105.19 107.67 1v62 n GLY 59 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1v62 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v62 n ALA 60 N -0.85 0.00 -1.77 4.61 0.00 -1.18 -4.99 120.51 116.33 1v62 n ALA 60 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 1v62 n ALA 60 Cb 0.19 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.72 1v62 n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1v62 s LEU 61 N -4.44 2.59 -0.09 0.00 1.43 -1.26 -4.77 118.68 112.14 1v62 s LEU 61 Ca 0.00 1.04 -0.21 0.00 -1.03 0.00 0.00 54.13 53.92 1v62 s LEU 61 Cb 0.00 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.63 1v62 s LEU 61 CO 0.00 -1.82 0.50 -1.00 0.23 0.00 0.00 176.35 174.27 1v62 s HIS 62 N -3.37 -0.47 -0.53 0.29 3.76 -1.26 -4.94 115.29 108.77 1v62 s HIS 62 Ca 0.61 0.92 -0.27 0.00 -0.15 0.00 0.00 55.06 56.17 1v62 s HIS 62 Cb -0.12 0.23 -0.01 0.00 1.11 0.00 0.00 32.58 33.79 1v62 s HIS 62 CO 0.52 -0.43 1.77 -1.25 -0.85 0.00 0.00 174.74 174.50 1v62 s PRO 63 N -0.76 2.92 0.00 8.40 0.04 -1.26 -2.68 135.00 141.65 1v62 s PRO 63 Ca -0.08 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1v62 s PRO 63 Cb -0.03 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1v62 s PRO 63 CO 0.05 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.12 1v62 n GLY 64 N 5.55 1.35 3.40 0.56 0.00 -0.90 -4.97 105.19 110.18 1v62 n GLY 64 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1v62 n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1v62 n ASP 65 N 0.00 -1.99 -4.13 1.61 9.92 -1.09 -4.74 116.55 116.12 1v62 n ASP 65 Ca 0.00 -0.15 -0.33 0.00 -0.53 0.00 0.00 54.79 53.78 1v62 n ASP 65 Cb 0.00 -1.15 -0.15 0.00 -0.64 0.00 0.00 41.12 39.18 1v62 n ASP 65 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1v62 s HIS 66 N -2.34 2.99 -0.22 1.24 3.76 -1.26 -2.86 115.29 116.59 1v62 s HIS 66 Ca 0.64 -1.79 -0.24 0.00 -0.15 0.00 0.00 55.06 53.52 1v62 s HIS 66 Cb -0.21 -1.96 -0.01 0.00 1.11 0.00 0.00 32.58 31.51 1v62 s HIS 66 CO 0.66 -0.80 0.81 0.42 -0.85 0.00 0.00 174.74 174.97 1v62 s ILE 67 N 1.25 4.87 -0.15 0.60 1.01 -0.86 -0.33 121.20 127.60 1v62 s ILE 67 Ca 0.00 1.54 0.16 0.00 0.00 0.00 0.00 60.65 62.35 1v62 s ILE 67 Cb -0.16 -4.10 -0.24 0.00 0.01 0.00 0.00 42.46 37.97 1v62 s ILE 67 CO -0.09 -0.03 0.27 0.18 0.00 0.00 0.00 174.94 175.28 1v62 n LEU 68 N 5.70 0.35 -3.60 2.97 4.77 0.53 -4.46 117.00 123.25 1v62 n LEU 68 Ca 0.04 0.14 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 1v62 n LEU 68 Cb 0.48 0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 41.88 1v62 n LEU 68 CO 0.47 0.47 0.84 -0.94 -1.33 0.00 0.00 177.39 176.91 1v62 s SER 69 N -5.72 -0.32 -0.18 -1.43 1.04 -0.87 -0.51 113.70 105.71 1v62 s SER 69 Ca -0.09 0.42 -0.00 0.00 0.48 0.00 0.00 55.95 56.76 1v62 s SER 69 Cb 0.07 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1v62 s SER 69 CO 0.83 -0.24 -0.06 -0.63 0.98 0.00 0.00 173.24 174.12 1v62 s ILE 70 N -0.77 1.22 -1.55 -1.02 1.01 -0.42 0.11 121.20 119.77 1v62 s ILE 70 Ca 0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 1v62 s ILE 70 Cb -0.02 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 41.05 1v62 s ILE 70 CO -0.02 0.09 0.27 -0.67 0.00 0.00 0.00 174.94 174.60 1v62 n ASP 71 N 4.83 -5.67 0.00 3.58 2.03 0.15 -1.37 116.55 120.10 1v62 n ASP 71 Ca -0.12 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1v62 n ASP 71 Cb 0.47 -4.61 0.00 0.00 -0.72 0.00 0.00 41.12 36.26 1v62 n ASP 71 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1v62 n GLY 72 N -1.23 1.10 3.58 0.27 0.00 -1.26 -5.02 105.19 102.62 1v62 n GLY 72 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1v62 n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v62 s THR 73 N -2.58 4.40 0.28 2.61 2.01 -0.47 -5.00 115.64 116.89 1v62 s THR 73 Ca 0.00 0.91 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 1v62 s THR 73 Cb 0.00 -4.48 -0.12 0.00 0.01 0.00 0.00 72.50 67.91 1v62 s THR 73 CO 0.00 -0.87 1.56 -0.24 -0.69 0.00 0.00 174.62 174.38 1v62 n SER 74 N 7.34 3.66 -2.17 3.53 2.88 -1.26 -1.30 113.62 126.29 1v62 n SER 74 Ca 0.08 1.15 -0.24 0.00 -1.33 0.00 0.00 58.87 58.52 1v62 n SER 74 Cb 0.49 -1.56 0.16 0.00 -0.75 0.00 0.00 64.21 62.54 1v62 n SER 74 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1v62 n MET 75 N 2.14 2.23 -0.09 -1.46 2.81 0.33 -4.24 117.12 118.85 1v62 n MET 75 Ca 0.09 -2.87 -0.14 0.00 -1.81 0.00 0.00 57.70 52.97 1v62 n MET 75 Cb 0.36 -2.13 -0.14 0.00 -0.71 0.00 0.00 33.22 30.60 1v62 n MET 75 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1v62 n GLU 76 N -1.01 0.68 -1.51 0.03 4.07 -1.26 -4.37 120.64 117.26 1v62 n GLU 76 Ca 0.57 0.12 -0.03 0.00 -0.06 0.00 0.00 57.16 57.77 1v62 n GLU 76 Cb 1.47 -1.58 0.09 0.00 -0.06 0.00 0.00 31.44 31.36 1v62 n GLU 76 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1v62 n HIS 77 N -3.06 0.85 -3.61 4.31 -0.00 -1.26 -4.86 115.22 107.60 1v62 n HIS 77 Ca -0.35 -1.53 -0.24 0.00 0.46 0.00 0.00 57.72 56.06 1v62 n HIS 77 Cb 1.07 -0.24 0.02 0.00 -0.12 0.00 0.00 29.99 30.72 1v62 n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1v62 n SER 79 N -2.00 1.90 0.06 0.00 7.64 -1.26 -5.00 113.62 114.96 1v62 n SER 79 Ca 0.04 -1.35 -0.21 0.00 1.01 0.00 0.00 58.87 58.37 1v62 n SER 79 Cb 0.61 0.08 -0.14 0.00 -1.01 0.00 0.00 64.21 63.75 1v62 n SER 79 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1v62 h LEU 80 N 0.00 0.54 0.00 -3.43 6.46 -2.00 -2.73 115.31 114.15 1v62 h LEU 80 Ca -0.06 -0.93 -0.00 0.00 -0.12 0.00 0.00 57.88 56.77 1v62 h LEU 80 Cb 0.20 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1v62 h LEU 80 CO 0.10 1.43 -0.00 -0.07 -0.62 0.00 0.00 178.44 179.28 1v62 h LEU 81 N -0.26 -0.00 -1.18 2.25 3.38 -1.99 -1.38 115.31 116.13 1v62 h LEU 81 Ca -0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1v62 h LEU 81 Cb 1.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.41 1v62 h LEU 81 CO 0.17 0.19 0.40 -0.08 0.09 0.00 0.00 178.44 179.21 1v62 h GLU 82 N -0.19 0.96 -0.30 1.13 4.81 -1.98 -0.03 114.58 118.98 1v62 h GLU 82 Ca -0.00 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 1v62 h GLU 82 Cb 0.19 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1v62 h GLU 82 CO 0.00 0.69 -0.20 0.00 -0.73 0.00 0.00 179.01 178.78 1v62 h ALA 83 N 1.47 1.11 0.02 2.92 0.00 -1.30 -2.85 119.26 120.62 1v62 h ALA 83 Ca 0.25 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1v62 h ALA 83 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1v62 h ALA 83 CO -0.04 0.55 -0.93 1.15 0.00 0.00 0.00 179.25 179.98 1v62 h THR 84 N 0.49 1.53 -0.13 0.00 2.02 -0.57 -3.20 112.91 113.06 1v62 h THR 84 Ca 0.08 -2.80 -0.03 0.00 0.77 0.00 0.00 66.41 64.43 1v62 h THR 84 Cb 0.62 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 1v62 h THR 84 CO 0.04 0.81 -0.07 0.11 0.37 0.00 0.00 175.52 176.79 1v62 h LYS 85 N 0.08 0.19 -0.29 6.66 1.57 -0.81 -2.16 116.57 121.81 1v62 h LYS 85 Ca -0.05 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 1v62 h LYS 85 Cb 1.59 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 1v62 h LYS 85 CO 0.14 0.27 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.01 1v62 h LEU 86 N 0.18 0.55 -1.30 2.94 3.38 -1.50 -1.20 115.31 118.36 1v62 h LEU 86 Ca 0.04 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1v62 h LEU 86 Cb 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1v62 h LEU 86 CO 0.01 0.77 -0.25 -0.07 0.09 0.00 0.00 178.44 178.98 1v62 h LEU 87 N 0.49 0.15 0.09 1.67 3.38 -1.48 -2.88 115.31 116.73 1v62 h LEU 87 Ca 0.08 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 57.73 1v62 h LEU 87 Cb 0.64 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1v62 h LEU 87 CO 0.05 0.41 -1.36 0.00 0.09 0.00 0.00 178.44 177.62 1v62 h ALA 88 N 1.61 0.27 -0.54 1.53 0.00 -1.38 -3.39 119.26 117.36 1v62 h ALA 88 Ca 0.02 -1.03 -0.70 0.00 0.00 0.00 0.00 54.91 53.19 1v62 h ALA 88 Cb 0.53 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1v62 h ALA 88 CO 0.04 1.15 2.55 0.45 0.00 0.00 0.00 179.25 183.43 1v62 n SER 89 N -3.42 4.49 -3.86 0.00 2.88 -0.48 -4.86 113.62 108.36 1v62 n SER 89 Ca -0.11 -2.91 -0.16 0.00 -1.33 0.00 0.00 58.87 54.36 1v62 n SER 89 Cb 1.02 -1.67 -0.16 0.00 -0.75 0.00 0.00 64.21 62.65 1v62 n SER 89 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1v62 s ILE 90 N 3.21 0.22 -0.02 2.46 -1.09 -1.26 -4.91 121.20 119.81 1v62 s ILE 90 Ca 0.49 0.00 -0.23 0.00 -2.23 0.00 0.00 60.65 58.68 1v62 s ILE 90 Cb 0.09 -0.27 -0.16 0.00 -1.58 0.00 0.00 42.46 40.53 1v62 s ILE 90 CO -0.01 0.13 1.04 0.77 -1.23 0.00 0.00 174.94 175.64 1v62 h SER 91 N 6.88 -0.25 0.00 3.58 4.64 -1.93 -3.35 113.55 123.13 1v62 h SER 91 Ca -0.38 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 1v62 h SER 91 Cb 1.15 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1v62 h SER 91 CO 0.49 0.22 0.00 1.21 -0.87 0.00 0.00 176.83 177.88 1v62 n GLU 92 N -5.01 0.00 -4.68 4.77 2.13 -1.26 -2.99 120.64 113.60 1v62 n GLU 92 Ca -0.08 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.40 1v62 n GLU 92 Cb 0.26 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.84 1v62 n GLU 92 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1v62 s LYS 93 N -2.00 3.41 -0.10 5.31 -2.85 -1.26 -2.04 119.74 120.21 1v62 s LYS 93 Ca 0.00 -0.64 -0.22 0.00 -1.00 0.00 0.00 55.97 54.12 1v62 s LYS 93 Cb 0.00 -2.70 -0.04 0.00 -2.06 0.00 0.00 37.83 33.04 1v62 s LYS 93 CO 0.00 0.26 0.64 0.54 0.10 0.00 0.00 175.35 176.88 1v62 s VAL 94 N 0.26 5.08 -0.78 1.79 0.11 -1.11 -4.90 120.40 120.85 1v62 s VAL 94 Ca -0.07 1.29 -0.17 0.00 -2.93 0.00 0.00 61.98 60.10 1v62 s VAL 94 Cb -0.15 -3.97 0.16 0.00 -1.53 0.00 0.00 36.38 30.88 1v62 s VAL 94 CO 0.05 0.25 0.84 -0.13 -3.33 0.00 0.00 175.10 172.77 1v62 s ARG 95 N 0.93 3.43 -0.40 1.54 0.52 -1.26 -3.00 118.95 120.71 1v62 s ARG 95 Ca 0.34 -1.93 -0.10 0.00 -0.52 0.00 0.00 55.73 53.51 1v62 s ARG 95 Cb -0.17 -4.52 0.05 0.00 0.52 0.00 0.00 34.95 30.83 1v62 s ARG 95 CO 0.15 -1.50 0.23 -0.51 0.02 0.00 0.00 175.30 173.70 1v62 s LEU 96 N 1.61 4.93 -0.71 2.53 1.43 -0.18 0.35 118.68 128.64 1v62 s LEU 96 Ca 0.20 -1.24 -0.24 0.00 -1.03 0.00 0.00 54.13 51.82 1v62 s LEU 96 Cb -0.13 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.14 1v62 s LEU 96 CO -0.05 -0.46 1.09 -0.70 0.23 0.00 0.00 176.35 176.47 1v62 s GLU 97 N 1.50 3.17 0.01 1.70 2.12 0.30 0.99 118.70 128.49 1v62 s GLU 97 Ca 0.02 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.67 1v62 s GLU 97 Cb -0.21 -4.28 -0.04 0.00 0.26 0.00 0.00 34.13 29.86 1v62 s GLU 97 CO 0.05 -1.94 0.05 0.42 -0.54 0.00 0.00 175.26 173.29 1v62 s ILE 98 N 4.60 4.46 0.37 -3.70 1.01 0.24 -0.35 121.20 127.83 1v62 s ILE 98 Ca 0.28 -0.54 -0.27 0.00 0.00 0.00 0.00 60.65 60.11 1v62 s ILE 98 Cb -0.13 -3.03 -0.10 0.00 0.01 0.00 0.00 42.46 39.21 1v62 s ILE 98 CO 0.10 0.33 1.34 -0.22 0.00 0.00 0.00 174.94 176.49 1v62 s LEU 99 N -1.75 4.32 -0.88 2.97 2.96 0.55 0.21 118.68 127.07 1v62 s LEU 99 Ca 0.22 2.74 -0.19 0.00 -0.22 0.00 0.00 54.13 56.68 1v62 s LEU 99 Cb -0.12 -3.76 -0.23 0.00 0.50 0.00 0.00 46.19 42.58 1v62 s LEU 99 CO 0.13 -0.73 2.33 -2.65 -1.32 0.00 0.00 176.35 174.12 1v62 n PRO 100 N 0.45 0.30 -3.99 0.98 -0.02 -1.26 -4.70 135.00 126.77 1v62 n PRO 100 Ca 0.02 -0.33 -0.25 0.00 -2.02 0.00 0.00 63.50 60.91 1v62 n PRO 100 Cb 0.42 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1v62 n PRO 100 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1v62 s VAL 101 N 7.67 5.09 0.32 -1.45 -7.23 -1.25 -5.01 120.40 118.54 1v62 s VAL 101 Ca 1.15 -0.84 0.25 0.00 -1.81 0.00 0.00 61.98 60.73 1v62 s VAL 101 Cb -0.56 -3.64 0.26 0.00 0.56 0.00 0.00 36.38 33.00 1v62 s VAL 101 CO 0.35 -0.13 1.97 1.55 -0.31 0.00 0.00 175.10 178.53 1v62 h PRO 102 N 2.06 0.00 0.02 4.82 0.13 -2.03 -3.31 132.00 133.69 1v62 h PRO 102 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1v62 h PRO 102 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1v62 h PRO 102 CO 0.66 0.18 -0.01 1.96 -0.23 0.00 0.00 178.00 180.56 1v62 h GLN 103 N 0.00 -0.03 -5.60 0.86 4.20 -1.98 -3.44 115.11 109.12 1v62 h GLN 103 Ca -0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1v62 h GLN 103 Cb 0.50 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.19 1v62 h GLN 103 CO 0.02 -0.02 -0.10 0.45 -0.67 0.00 0.00 178.83 178.52 1v62 s SER 104 N -2.84 6.59 -0.05 1.46 0.15 -1.25 -4.91 113.70 112.86 1v62 s SER 104 Ca -0.00 0.71 0.12 0.00 0.70 0.00 0.00 55.95 57.47 1v62 s SER 104 Cb 0.00 -2.28 0.22 0.00 -1.71 0.00 0.00 66.02 62.25 1v62 s SER 104 CO 0.01 -0.10 1.12 0.00 1.20 0.00 0.00 173.24 175.47 1v62 n GLN 105 N 4.33 0.25 -3.19 5.44 6.02 -1.26 -3.92 117.38 125.04 1v62 n GLN 105 Ca -0.06 -1.54 0.01 0.00 -0.01 0.00 0.00 57.00 55.40 1v62 n GLN 105 Cb 0.51 0.18 -0.01 0.00 1.02 0.00 0.00 30.24 31.93 1v62 n GLN 105 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1v62 s ARG 106 N -0.24 0.56 0.09 -1.09 0.52 -1.26 -5.07 118.95 112.46 1v62 s ARG 106 Ca 0.15 0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 55.44 1v62 s ARG 106 Cb 0.20 0.12 -0.13 0.00 0.52 0.00 0.00 34.95 35.66 1v62 s ARG 106 CO -0.07 -1.06 1.47 -1.35 0.02 0.00 0.00 175.30 174.31 1v62 h PRO 107 N 7.93 -0.64 -6.11 3.54 0.11 -1.90 -3.43 132.00 131.51 1v62 h PRO 107 Ca -0.02 0.04 -0.65 0.00 0.11 0.00 0.00 66.00 65.48 1v62 h PRO 107 Cb 1.17 0.14 -0.11 0.00 0.11 0.00 0.00 31.00 32.32 1v62 h PRO 107 CO 0.17 -0.42 -0.61 -0.51 -0.21 0.00 0.00 178.00 176.42 1v62 s LEU 108 N -9.40 3.73 -0.09 2.35 1.43 -1.26 -4.26 118.68 111.18 1v62 s LEU 108 Ca -0.14 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1v62 s LEU 108 Cb 0.05 -2.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1v62 s LEU 108 CO 0.52 0.25 -0.00 0.03 0.23 0.00 0.00 176.35 177.37 1v62 h ARG 109 N 3.96 0.00 0.00 1.70 3.08 -1.94 -3.35 114.38 117.83 1v62 h ARG 109 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1v62 h ARG 109 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1v62 h ARG 109 CO 0.61 0.00 0.00 -0.35 -1.07 0.00 0.00 179.97 179.16 1v62 n PRO 110 N -4.54 0.54 0.12 0.04 -0.04 -1.26 -4.03 135.00 125.84 1v62 n PRO 110 Ca -0.00 0.03 -0.06 0.00 -0.04 0.00 0.00 63.50 63.43 1v62 n PRO 110 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1v62 n PRO 110 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1v62 h SER 111 N 0.00 -0.43 -3.73 3.54 0.02 -1.99 -3.35 113.55 107.61 1v62 h SER 111 Ca 0.00 0.03 -0.73 0.00 -0.84 0.00 0.00 61.79 60.25 1v62 h SER 111 Cb 0.11 0.13 -0.33 0.00 0.14 0.00 0.00 62.40 62.46 1v62 h SER 111 CO 0.00 -0.24 -0.09 -0.44 -1.14 0.00 0.00 176.83 174.93 1v62 s SER 112 N -2.83 6.03 0.00 3.07 0.01 -1.26 -5.05 113.70 113.68 1v62 s SER 112 Ca -0.06 -3.25 0.00 0.00 1.31 0.00 0.00 55.95 53.95 1v62 s SER 112 Cb 0.01 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1v62 s SER 112 CO 0.19 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1v62 n GLY 113 N 3.03 3.41 0.00 3.44 0.00 -1.26 -5.06 105.19 108.75 1v62 n GLY 113 Ca 0.16 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1v62 n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v62 n PRO 114 N -0.26 -0.61 0.00 1.61 -0.04 -1.26 -5.06 135.00 129.39 1v62 n PRO 114 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1v62 n PRO 114 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1v62 n PRO 114 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1v62 n SER 115 N -2.42 0.01 -4.93 3.54 3.41 -1.26 -5.11 113.62 106.86 1v62 n SER 115 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 1v62 n SER 115 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1v62 n SER 115 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1v62 s SER 116 N -4.96 6.35 0.00 4.04 0.15 -1.26 -5.36 113.70 112.66 1v62 s SER 116 Ca 0.00 0.22 0.18 0.00 0.70 0.00 0.00 55.95 57.05 1v62 s SER 116 Cb 0.00 -1.94 1.09 0.00 -1.71 0.00 0.00 66.02 63.46 1v62 s SER 116 CO 0.00 0.10 1.48 0.61 1.20 0.00 0.00 173.24 176.64