#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cys n VAL 2 N 0.00 -0.01 -1.50 1.12 0.24 -1.26 -4.08 118.33 112.85 3cys n VAL 2 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3cys n VAL 2 Cb 0.00 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 3cys n VAL 2 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3cys n ASN 3 N -2.43 -6.91 -4.78 -1.34 0.23 -1.26 -4.83 115.26 93.94 3cys n ASN 3 Ca 0.12 1.44 -0.37 0.00 -0.53 0.00 0.00 54.58 55.24 3cys n ASN 3 Cb 0.45 -4.46 -0.04 0.00 -2.08 0.00 0.00 39.78 33.65 3cys n ASN 3 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 3cys s PRO 4 N -4.86 4.17 0.04 -0.53 0.04 -1.25 -4.99 135.00 127.61 3cys s PRO 4 Ca 0.00 1.53 0.08 0.00 0.04 0.00 0.00 61.00 62.65 3cys s PRO 4 Cb 0.00 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 3cys s PRO 4 CO 0.00 -0.14 -0.24 0.99 0.04 0.00 0.00 177.00 177.65 3cys s THR 5 N -1.64 2.31 0.24 1.26 2.01 -1.26 -3.38 115.64 115.18 3cys s THR 5 Ca 0.58 -1.30 0.01 0.00 0.31 0.00 0.00 61.69 61.28 3cys s THR 5 Cb -0.22 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 3cys s THR 5 CO 0.28 0.39 0.11 0.68 -0.69 0.00 0.00 174.62 175.39 3cys s VAL 6 N -0.81 0.33 0.16 3.82 -7.23 -0.59 -1.75 120.40 114.33 3cys s VAL 6 Ca 0.12 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.05 3cys s VAL 6 Cb -0.10 -2.58 0.06 0.00 0.56 0.00 0.00 36.38 34.32 3cys s VAL 6 CO 0.02 0.00 0.76 0.72 -0.31 0.00 0.00 175.10 176.29 3cys s PHE 7 N -3.89 -0.32 0.13 2.82 -0.71 -1.21 0.29 117.98 115.08 3cys s PHE 7 Ca 0.38 0.04 -0.17 0.00 -1.04 0.00 0.00 56.93 56.14 3cys s PHE 7 Cb 0.07 0.61 0.04 0.00 -1.21 0.00 0.00 43.02 42.54 3cys s PHE 7 CO 0.13 -0.90 0.44 -0.59 -1.34 0.00 0.00 175.22 172.97 3cys s PHE 8 N -3.59 -0.27 0.03 3.49 -0.71 -0.36 -0.82 117.98 115.75 3cys s PHE 8 Ca 0.07 -0.02 -0.00 0.00 -1.04 0.00 0.00 56.93 55.93 3cys s PHE 8 Cb -0.02 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 3cys s PHE 8 CO -0.04 -0.73 0.14 0.34 -1.34 0.00 0.00 175.22 173.59 3cys s ASP 9 N -2.79 5.98 -0.12 1.98 -1.08 -0.74 -1.32 116.67 118.59 3cys s ASP 9 Ca 0.03 0.19 0.01 0.00 -0.52 0.00 0.00 52.55 52.25 3cys s ASP 9 Cb 0.01 -1.77 -0.01 0.00 -1.46 0.00 0.00 42.92 39.69 3cys s ASP 9 CO -0.12 0.22 -0.14 -0.63 0.52 0.00 0.00 175.17 175.01 3cys s ILE 10 N -1.35 2.94 -0.21 4.11 1.09 -0.46 -3.49 121.20 123.83 3cys s ILE 10 Ca 0.28 -0.71 -0.01 0.00 -1.10 0.00 0.00 60.65 59.11 3cys s ILE 10 Cb -0.12 -2.21 0.01 0.00 -1.06 0.00 0.00 42.46 39.08 3cys s ILE 10 CO 0.21 0.54 -0.12 0.00 -0.10 0.00 0.00 174.94 175.46 3cys s ALA 11 N 0.22 2.56 -0.66 9.38 0.00 0.62 -0.73 121.76 133.15 3cys s ALA 11 Ca -0.09 -1.26 -0.16 0.00 0.00 0.00 0.00 51.96 50.45 3cys s ALA 11 Cb -0.15 -1.46 0.16 0.00 0.00 0.00 0.00 23.12 21.67 3cys s ALA 11 CO 0.05 -0.48 0.63 0.08 0.00 0.00 0.00 175.76 176.04 3cys s VAL 12 N 1.35 5.31 -0.37 0.00 1.01 0.25 -0.90 120.40 127.05 3cys s VAL 12 Ca 0.04 -1.81 -0.17 0.00 0.00 0.00 0.00 61.98 60.04 3cys s VAL 12 Cb -0.14 -4.41 0.02 0.00 0.00 0.00 0.00 36.38 31.85 3cys s VAL 12 CO -0.08 -0.97 0.44 0.47 0.00 0.00 0.00 175.10 174.96 3cys n ASP 13 N 4.93 -7.22 -4.23 3.32 8.00 -0.03 -3.05 116.55 118.27 3cys n ASP 13 Ca -0.03 0.53 -0.35 0.00 0.71 0.00 0.00 54.79 55.65 3cys n ASP 13 Cb 0.43 -4.05 -0.03 0.00 -0.02 0.00 0.00 41.12 37.44 3cys n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cys n GLY 14 N 0.10 -0.40 3.41 0.44 0.00 -1.26 -4.92 105.19 102.56 3cys n GLY 14 Ca 0.03 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 3cys n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cys s GLU 15 N -6.94 0.49 -0.30 1.61 2.12 -1.17 -5.12 118.70 109.38 3cys s GLU 15 Ca 0.63 1.02 -0.29 0.00 0.36 0.00 0.00 54.97 56.69 3cys s GLU 15 Cb -0.35 0.16 -0.00 0.00 0.26 0.00 0.00 34.13 34.21 3cys s GLU 15 CO 0.94 -0.18 1.35 -1.25 -0.54 0.00 0.00 175.26 175.58 3cys s PRO 16 N 1.81 3.88 -0.05 4.30 0.04 -1.26 0.85 135.00 144.57 3cys s PRO 16 Ca -0.08 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.04 3cys s PRO 16 Cb -0.08 -3.91 -0.31 0.00 0.04 0.00 0.00 34.50 30.24 3cys s PRO 16 CO -0.15 -1.17 0.86 1.25 0.04 0.00 0.00 177.00 177.83 3cys h LEU 17 N 11.05 0.50 0.00 -3.56 5.85 -1.30 -3.47 115.31 124.39 3cys h LEU 17 Ca -0.27 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.51 3cys h LEU 17 Cb 1.10 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3cys h LEU 17 CO 1.03 1.46 0.00 0.61 -0.34 0.00 0.00 178.44 181.20 3cys n GLY 18 N 1.68 -1.32 3.25 3.75 0.00 -1.22 -5.03 105.19 106.30 3cys n GLY 18 Ca -0.16 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 3cys n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cys s ARG 19 N -1.77 1.19 -0.04 1.61 0.52 -1.26 -1.35 118.95 117.85 3cys s ARG 19 Ca 0.00 -1.01 0.05 0.00 -0.52 0.00 0.00 55.73 54.25 3cys s ARG 19 Cb 0.00 -1.35 -0.01 0.00 0.52 0.00 0.00 34.95 34.11 3cys s ARG 19 CO 0.00 0.33 -0.19 0.08 0.02 0.00 0.00 175.30 175.54 3cys s VAL 20 N -0.99 1.54 0.38 3.52 1.01 -0.43 -4.42 120.40 121.01 3cys s VAL 20 Ca 0.06 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.33 3cys s VAL 20 Cb -0.09 -1.31 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 3cys s VAL 20 CO 0.03 0.44 0.03 -0.94 0.00 0.00 0.00 175.10 174.66 3cys s SER 21 N -0.11 4.05 -0.09 3.32 1.04 -0.85 -1.22 113.70 119.84 3cys s SER 21 Ca -0.01 -1.19 -0.06 0.00 0.48 0.00 0.00 55.95 55.17 3cys s SER 21 Cb -0.11 -0.44 0.03 0.00 0.10 0.00 0.00 66.02 65.61 3cys s SER 21 CO 0.02 -0.38 0.22 -0.36 0.98 0.00 0.00 173.24 173.72 3cys s PHE 22 N -2.62 -0.27 -0.67 5.02 0.08 0.14 -4.09 117.98 115.57 3cys s PHE 22 Ca 0.36 0.66 0.17 0.00 0.12 0.00 0.00 56.93 58.24 3cys s PHE 22 Cb 0.05 0.05 0.75 0.00 -0.57 0.00 0.00 43.02 43.30 3cys s PHE 22 CO 0.19 -0.17 1.52 0.39 -0.10 0.00 0.00 175.22 177.05 3cys n GLU 23 N 3.67 0.10 -2.22 0.44 1.02 -0.78 -1.54 120.64 121.34 3cys n GLU 23 Ca -0.20 0.42 -0.13 0.00 -0.02 0.00 0.00 57.16 57.23 3cys n GLU 23 Cb 0.55 -1.71 0.01 0.00 -0.02 0.00 0.00 31.44 30.27 3cys n GLU 23 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3cys n LEU 24 N -1.90 -1.62 -4.29 -4.62 7.94 -1.22 -4.25 117.00 107.04 3cys n LEU 24 Ca 0.02 0.04 -0.35 0.00 -1.11 0.00 0.00 56.01 54.60 3cys n LEU 24 Cb 0.14 -0.87 -0.05 0.00 0.53 0.00 0.00 43.42 43.17 3cys n LEU 24 CO 0.13 -0.33 1.82 0.49 -1.11 0.00 0.00 177.39 178.38 3cys n PHE 25 N 0.35 2.92 1.39 1.96 3.72 0.03 -3.75 117.46 124.07 3cys n PHE 25 Ca -0.03 -1.89 0.15 0.00 -0.05 0.00 0.00 57.45 55.63 3cys n PHE 25 Cb 0.34 -2.40 0.75 0.00 -0.94 0.00 0.00 39.48 37.22 3cys n PHE 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3cys n ALA 26 N 11.11 2.46 -0.10 4.37 0.00 -1.26 -3.85 120.51 133.25 3cys n ALA 26 Ca 0.47 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.66 3cys n ALA 26 Cb 0.44 -1.49 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 3cys n ALA 26 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3cys h ASP 27 N 0.00 -1.44 -0.01 0.00 3.58 -1.95 -1.90 116.42 114.70 3cys h ASP 27 Ca 0.00 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3cys h ASP 27 Cb 0.30 0.62 0.00 0.00 1.72 0.00 0.00 39.33 41.97 3cys h ASP 27 CO 0.00 -0.39 -0.46 2.29 -2.88 0.00 0.00 179.24 177.80 3cys n LYS 28 N -5.42 2.03 -3.16 0.28 2.85 -1.26 -4.56 118.16 108.93 3cys n LYS 28 Ca -0.02 -0.43 -0.23 0.00 -1.05 0.00 0.00 58.31 56.58 3cys n LYS 28 Cb 0.35 -1.20 -0.06 0.00 -0.65 0.00 0.00 35.03 33.47 3cys n LYS 28 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3cys n VAL 29 N -0.66 -0.63 -0.93 0.58 0.24 -1.11 -4.99 118.33 110.82 3cys n VAL 29 Ca 0.05 -3.87 -0.25 0.00 -2.04 0.00 0.00 64.34 58.23 3cys n VAL 29 Cb 0.27 -1.65 -0.04 0.00 -1.47 0.00 0.00 33.84 30.94 3cys n VAL 29 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3cys n PRO 30 N 1.37 2.52 0.07 7.34 -0.04 -0.73 -3.00 135.00 142.53 3cys n PRO 30 Ca 0.20 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 3cys n PRO 30 Cb 0.54 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 3cys n PRO 30 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3cys n LYS 31 N 3.68 0.00 -0.21 0.54 4.81 -1.26 -4.72 118.16 121.00 3cys n LYS 31 Ca 0.54 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.97 3cys n LYS 31 Cb 0.27 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.43 3cys n LYS 31 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3cys h THR 32 N 0.00 0.86 -0.18 3.15 2.02 -1.95 -1.62 112.91 115.19 3cys h THR 32 Ca 0.00 -0.18 -0.15 0.00 0.77 0.00 0.00 66.41 66.85 3cys h THR 32 Cb 0.00 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3cys h THR 32 CO 0.00 0.10 -0.50 0.00 0.37 0.00 0.00 175.52 175.48 3cys h ALA 33 N 1.38 0.79 -0.09 6.16 0.00 -1.85 -3.17 119.26 122.47 3cys h ALA 33 Ca 0.30 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3cys h ALA 33 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3cys h ALA 33 CO -0.25 0.67 -0.06 1.49 0.00 0.00 0.00 179.25 181.11 3cys h GLU 34 N 0.39 -0.06 0.01 0.00 4.22 -1.64 0.44 114.58 117.96 3cys h GLU 34 Ca 0.02 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.49 3cys h GLU 34 Cb 1.02 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 3cys h GLU 34 CO 0.09 -0.04 -0.46 -0.91 -2.18 0.00 0.00 179.01 175.51 3cys h ASN 35 N -0.06 -1.41 -0.84 1.04 2.35 -1.32 0.31 115.58 115.66 3cys h ASN 35 Ca 0.06 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3cys h ASN 35 Cb 0.14 0.54 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 3cys h ASN 35 CO -0.13 -0.49 0.53 0.15 -1.65 0.00 0.00 177.43 175.84 3cys h PHE 36 N -0.62 1.09 -0.71 1.19 3.04 -1.45 -1.57 116.94 117.90 3cys h PHE 36 Ca 0.03 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.92 3cys h PHE 36 Cb 0.69 -0.36 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 3cys h PHE 36 CO -0.45 0.71 0.18 -0.09 -2.02 0.00 0.00 178.31 176.63 3cys h ARG 37 N 1.15 1.14 -0.34 1.11 2.43 0.71 -2.48 114.38 118.10 3cys h ARG 37 Ca 0.30 -0.27 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 3cys h ARG 37 Cb -0.08 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 3cys h ARG 37 CO -0.06 1.00 -0.24 0.00 -1.51 0.00 0.00 179.97 179.16 3cys h ALA 38 N 1.11 0.96 0.00 2.80 0.00 0.33 -2.17 119.26 122.28 3cys h ALA 38 Ca 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3cys h ALA 38 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3cys h ALA 38 CO 0.00 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.14 3cys n LEU 39 N -4.11 0.00 -0.36 0.00 4.77 -0.66 0.59 117.00 117.22 3cys n LEU 39 Ca -0.00 0.22 0.14 0.00 -0.03 0.00 0.00 56.01 56.34 3cys n LEU 39 Cb 0.42 -0.22 0.46 0.00 -2.33 0.00 0.00 43.42 41.75 3cys n LEU 39 CO 0.44 -0.03 0.77 -1.20 -1.33 0.00 0.00 177.39 176.04 3cys n SER 40 N -1.22 1.26 -0.97 -1.43 7.64 -0.82 -3.54 113.62 114.53 3cys n SER 40 Ca 0.14 -1.20 -0.04 0.00 1.01 0.00 0.00 58.87 58.79 3cys n SER 40 Cb 0.19 0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.41 3cys n SER 40 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3cys n THR 41 N -0.23 0.00 0.00 0.44 5.66 -0.15 -4.34 114.28 115.67 3cys n THR 41 Ca 0.16 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 3cys n THR 41 Cb 0.35 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.63 3cys n THR 41 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3cys n GLY 42 N 0.08 -2.49 2.45 1.09 0.00 0.20 -4.71 105.19 101.81 3cys n GLY 42 Ca -0.16 0.52 -0.08 0.00 0.00 0.00 0.00 46.02 46.30 3cys n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cys n GLU 43 N -1.29 -2.49 -1.37 1.61 -0.58 -1.26 -4.76 120.64 110.50 3cys n GLU 43 Ca 0.00 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 3cys n GLU 43 Cb 0.00 -4.94 -0.01 0.00 -0.57 0.00 0.00 31.44 25.92 3cys n GLU 43 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3cys n LYS 44 N -2.68 0.06 0.00 3.49 0.00 -1.26 -4.99 118.16 112.78 3cys n LYS 44 Ca -0.09 -1.68 0.00 0.00 0.00 0.00 0.00 58.31 56.54 3cys n LYS 44 Cb 0.57 0.14 0.00 0.00 0.00 0.00 0.00 35.03 35.74 3cys n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3cys n GLY 45 N 0.28 3.18 0.61 3.14 0.00 -1.26 -5.09 105.19 106.05 3cys n GLY 45 Ca -0.06 -0.53 -0.00 0.00 0.00 0.00 0.00 46.02 45.43 3cys n GLY 45 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3cys n PHE 46 N 0.00 -0.52 0.00 1.61 -1.74 -1.26 -5.14 117.46 110.41 3cys n PHE 46 Ca 0.00 -0.17 0.00 0.00 -0.56 0.00 0.00 57.45 56.72 3cys n PHE 46 Cb 0.00 0.08 0.00 0.00 1.52 0.00 0.00 39.48 41.08 3cys n PHE 46 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3cys n GLY 47 N -0.12 2.64 3.90 4.97 0.00 -1.26 -3.95 105.19 111.37 3cys n GLY 47 Ca 0.00 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3cys n GLY 47 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cys n TYR 48 N 0.00 -1.70 -3.20 1.61 4.02 -1.23 -4.73 117.16 111.93 3cys n TYR 48 Ca 0.00 0.35 0.01 0.00 -0.01 0.00 0.00 57.90 58.25 3cys n TYR 48 Cb 0.00 -2.95 -0.01 0.00 -0.02 0.00 0.00 39.34 36.36 3cys n TYR 48 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3cys s LYS 49 N -6.43 0.74 0.00 -0.72 2.47 -1.26 -4.41 119.74 110.13 3cys s LYS 49 Ca 0.36 -0.06 0.00 0.00 -1.56 0.00 0.00 55.97 54.71 3cys s LYS 49 Cb -0.18 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.30 3cys s LYS 49 CO 0.93 -1.15 0.00 0.41 0.16 0.00 0.00 175.35 175.70 3cys n GLY 50 N 4.70 2.07 3.75 5.54 0.00 -1.26 -5.04 105.19 114.95 3cys n GLY 50 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3cys n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cys s SER 51 N -1.74 4.82 -0.31 1.61 1.04 -1.26 -4.88 113.70 112.97 3cys s SER 51 Ca 0.00 2.17 -0.01 0.00 0.48 0.00 0.00 55.95 58.60 3cys s SER 51 Cb 0.00 -2.57 0.13 0.00 0.10 0.00 0.00 66.02 63.68 3cys s SER 51 CO 0.00 -1.83 0.25 0.00 0.98 0.00 0.00 173.24 172.63 3cys n PHE 53 N 4.90 -1.73 -2.68 0.00 1.16 -1.15 -4.86 117.46 113.11 3cys n PHE 53 Ca 0.01 0.19 -0.05 0.00 -1.87 0.00 0.00 57.45 55.73 3cys n PHE 53 Cb 0.43 -0.30 0.07 0.00 -1.61 0.00 0.00 39.48 38.07 3cys n PHE 53 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 3cys n HIS 54 N -0.91 -1.13 -1.40 2.97 -0.00 -0.61 -3.83 115.22 110.31 3cys n HIS 54 Ca 0.00 -0.92 -0.00 0.00 0.46 0.00 0.00 57.72 57.26 3cys n HIS 54 Cb 0.07 1.19 -0.00 0.00 -0.12 0.00 0.00 29.99 31.13 3cys n HIS 54 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 3cys n ARG 55 N 1.54 -1.08 -5.00 1.57 0.63 -1.26 -3.83 116.66 109.23 3cys n ARG 55 Ca 0.03 1.18 -0.32 0.00 -0.92 0.00 0.00 57.85 57.82 3cys n ARG 55 Cb 0.69 -1.52 -0.16 0.00 0.45 0.00 0.00 32.46 31.92 3cys n ARG 55 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3cys s ILE 56 N -0.13 2.45 -0.01 5.15 1.01 -1.26 -2.72 121.20 125.68 3cys s ILE 56 Ca -0.02 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.77 3cys s ILE 56 Cb 0.00 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.49 3cys s ILE 56 CO 0.04 0.54 -0.06 -0.63 0.00 0.00 0.00 174.94 174.84 3cys s ILE 57 N 0.39 0.49 -0.22 2.92 1.01 -0.76 -1.02 121.20 124.03 3cys s ILE 57 Ca -0.15 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 3cys s ILE 57 Cb -0.17 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 3cys s ILE 57 CO 0.07 0.16 1.30 -2.16 0.00 0.00 0.00 174.94 174.31 3cys s PRO 58 N 0.14 4.09 -0.42 2.79 0.04 -1.26 -2.90 135.00 137.48 3cys s PRO 58 Ca -0.01 1.52 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 3cys s PRO 58 Cb -0.06 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.66 3cys s PRO 58 CO -0.00 -0.89 0.29 0.41 0.04 0.00 0.00 177.00 176.85 3cys n GLY 59 N 3.93 0.45 2.03 0.56 0.00 -1.26 -4.89 105.19 106.00 3cys n GLY 59 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3cys n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3cys n PHE 60 N -3.37 -1.77 -3.60 1.61 7.35 -1.14 -4.69 117.46 111.84 3cys n PHE 60 Ca -0.01 0.35 -0.09 0.00 -0.76 0.00 0.00 57.45 56.94 3cys n PHE 60 Cb 0.52 0.91 -0.06 0.00 0.35 0.00 0.00 39.48 41.21 3cys n PHE 60 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 3cys s MET 61 N -1.48 0.49 -0.16 -4.13 0.00 -1.17 -0.54 119.30 112.31 3cys s MET 61 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 55.69 55.96 3cys s MET 61 Cb 0.00 0.23 0.01 0.00 0.00 0.00 0.00 34.83 35.07 3cys s MET 61 CO 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 175.02 174.72 3cys s GLN 63 N 0.99 2.86 0.02 0.00 -0.21 -1.10 -3.72 119.66 118.50 3cys s GLN 63 Ca -0.02 -1.18 0.04 0.00 0.02 0.00 0.00 55.36 54.21 3cys s GLN 63 Cb -0.15 -2.58 -0.02 0.00 1.00 0.00 0.00 33.01 31.27 3cys s GLN 63 CO -0.04 0.14 -0.12 0.20 -2.12 0.00 0.00 175.29 173.35 3cys s GLY 64 N -4.01 0.63 -0.03 3.09 0.00 -1.26 -1.57 107.32 104.17 3cys s GLY 64 Ca 0.40 -0.64 -0.14 0.00 0.00 0.00 0.00 44.72 44.35 3cys s GLY 64 CO 0.27 -0.60 0.30 -0.32 0.00 0.00 0.00 173.10 172.76 3cys s GLY 65 N -0.75 -0.16 -0.03 0.20 0.00 -1.25 -4.50 107.32 100.84 3cys s GLY 65 Ca 0.02 0.41 -0.14 0.00 0.00 0.00 0.00 44.72 45.00 3cys s GLY 65 CO 0.00 0.22 0.31 -0.35 0.00 0.00 0.00 173.10 173.28 3cys s ASP 66 N -1.04 -0.21 -0.09 1.64 -1.08 -1.26 -4.32 116.67 110.32 3cys s ASP 66 Ca -0.11 0.16 -0.00 0.00 -0.52 0.00 0.00 52.55 52.08 3cys s ASP 66 Cb -0.05 0.36 0.00 0.00 -1.46 0.00 0.00 42.92 41.77 3cys s ASP 66 CO 0.03 -0.40 0.01 0.33 0.52 0.00 0.00 175.17 175.66 3cys n PHE 67 N 1.50 -0.07 0.00 -5.34 7.35 -1.26 0.05 117.46 119.69 3cys n PHE 67 Ca -0.20 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 3cys n PHE 67 Cb 0.56 -1.16 0.00 0.00 0.35 0.00 0.00 39.48 39.23 3cys n PHE 67 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3cys n THR 68 N -3.75 0.00 -3.38 -2.13 -1.04 -1.26 -4.67 114.28 98.06 3cys n THR 68 Ca -0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.86 3cys n THR 68 Cb 0.51 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.93 3cys n THR 68 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3cys s ARG 69 N 0.00 0.34 -1.23 -2.82 1.81 -1.26 -4.95 118.95 110.83 3cys s ARG 69 Ca 0.00 0.03 -0.05 0.00 -1.72 0.00 0.00 55.73 53.98 3cys s ARG 69 Cb 0.00 -0.59 0.12 0.00 -0.45 0.00 0.00 34.95 34.03 3cys s ARG 69 CO 0.00 -0.96 2.40 0.72 -0.68 0.00 0.00 175.30 176.78 3cys n HIS 70 N 5.33 2.51 0.00 -0.53 8.25 -1.26 -3.54 115.22 125.98 3cys n HIS 70 Ca -0.02 -2.73 0.00 0.00 -0.26 0.00 0.00 57.72 54.71 3cys n HIS 70 Cb 0.48 -1.77 0.00 0.00 1.12 0.00 0.00 29.99 29.82 3cys n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3cys n ASN 71 N 1.57 0.00 0.00 0.41 5.15 -1.26 -4.69 115.26 116.44 3cys n ASN 71 Ca 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 3cys n ASN 71 Cb 0.27 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 3cys n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cys n GLY 72 N -0.74 0.73 1.85 8.20 0.00 -1.25 -4.67 105.19 109.32 3cys n GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cys n GLY 72 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cys n THR 73 N -1.16 0.00 0.00 2.61 5.66 -1.24 -5.06 114.28 115.08 3cys n THR 73 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3cys n THR 73 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3cys n THR 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3cys n GLY 74 N -1.46 2.66 4.99 1.09 0.00 -1.23 -4.54 105.19 106.70 3cys n GLY 74 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3cys n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cys n GLY 75 N 0.00 2.31 1.16 -0.02 0.00 0.11 -4.79 105.19 103.95 3cys n GLY 75 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.10 3cys n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cys n LYS 76 N 0.00 -2.67 -4.43 1.61 5.02 -0.27 -4.71 118.16 112.72 3cys n LYS 76 Ca 0.00 2.16 -0.25 0.00 -2.02 0.00 0.00 58.31 58.20 3cys n LYS 76 Cb 0.00 -3.12 -0.09 0.00 -0.02 0.00 0.00 35.03 31.79 3cys n LYS 76 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3cys s SER 77 N -6.65 3.99 0.23 4.39 0.15 -1.16 -4.29 113.70 110.38 3cys s SER 77 Ca 0.00 -1.11 0.26 0.00 0.70 0.00 0.00 55.95 55.80 3cys s SER 77 Cb 0.00 -0.45 0.82 0.00 -1.71 0.00 0.00 66.02 64.68 3cys s SER 77 CO 0.00 -0.26 1.76 0.16 1.20 0.00 0.00 173.24 176.10 3cys h ILE 78 N 1.86 0.00 -0.00 6.45 3.07 -1.93 -2.80 117.51 124.17 3cys h ILE 78 Ca -0.43 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 65.52 3cys h ILE 78 Cb 1.25 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.23 3cys h ILE 78 CO 0.70 0.00 -0.25 -1.22 -1.05 0.00 0.00 178.15 176.32 3cys n TYR 79 N -2.32 0.00 0.00 0.16 4.02 -1.26 -4.89 117.16 112.87 3cys n TYR 79 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3cys n TYR 79 Cb 0.40 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 3cys n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cys n GLY 80 N 1.38 0.63 3.31 2.72 0.00 -1.08 -4.81 105.19 107.33 3cys n GLY 80 Ca 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3cys n GLY 80 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cys n GLU 81 N 0.00 0.00 -3.96 1.61 2.13 -1.08 -4.80 120.64 114.54 3cys n GLU 81 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 3cys n GLU 81 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 3cys n GLU 81 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3cys s LYS 82 N 0.00 1.84 0.30 5.31 -2.85 -1.26 -2.97 119.74 120.10 3cys s LYS 82 Ca 0.00 -1.41 -0.13 0.00 -1.00 0.00 0.00 55.97 53.43 3cys s LYS 82 Cb 0.00 0.51 0.01 0.00 -2.06 0.00 0.00 37.83 36.30 3cys s LYS 82 CO 0.00 -0.80 0.57 -0.59 0.10 0.00 0.00 175.35 174.64 3cys s PHE 83 N -3.34 0.37 1.35 1.78 -0.71 -0.60 -4.52 117.98 112.31 3cys s PHE 83 Ca 0.22 -0.77 -0.22 0.00 -1.04 0.00 0.00 56.93 55.11 3cys s PHE 83 Cb -0.02 0.34 0.34 0.00 -1.21 0.00 0.00 43.02 42.47 3cys s PHE 83 CO 0.13 -1.17 1.01 -1.83 -1.34 0.00 0.00 175.22 172.02 3cys s GLU 84 N -3.50 -2.41 0.00 1.99 -1.05 -1.26 -3.79 118.70 108.67 3cys s GLU 84 Ca 0.21 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.98 3cys s GLU 84 Cb -0.02 -1.45 0.00 0.00 -0.44 0.00 0.00 34.13 32.21 3cys s GLU 84 CO 0.11 -4.50 0.00 -3.47 0.95 0.00 0.00 175.26 168.36 3cys n ASP 85 N -5.33 0.99 0.00 0.83 2.03 -1.26 -4.75 116.55 109.06 3cys n ASP 85 Ca 0.14 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.30 3cys n ASP 85 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 3cys n ASP 85 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3cys n GLU 86 N -0.08 0.00 0.00 -0.67 0.28 -1.26 -5.07 120.64 113.85 3cys n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3cys n GLU 86 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3cys n GLU 86 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3cys n ASN 87 N -2.11 0.00 -2.18 -1.84 0.23 -1.26 -5.04 115.26 103.06 3cys n ASN 87 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.79 3cys n ASN 87 Cb 0.00 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 3cys n ASN 87 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3cys n PHE 88 N -0.03 2.96 -0.28 -2.53 3.72 -1.26 -4.75 117.46 115.29 3cys n PHE 88 Ca 0.00 -2.51 -0.04 0.00 -0.05 0.00 0.00 57.45 54.85 3cys n PHE 88 Cb 0.00 -0.40 0.07 0.00 -0.94 0.00 0.00 39.48 38.21 3cys n PHE 88 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3cys h ILE 89 N 2.17 1.20 -4.36 4.37 2.04 -1.96 -3.42 117.51 117.56 3cys h ILE 89 Ca 0.38 -0.38 -0.51 0.00 1.00 0.00 0.00 64.86 65.35 3cys h ILE 89 Cb 1.28 0.08 0.08 0.00 -0.74 0.00 0.00 36.82 37.53 3cys h ILE 89 CO 0.87 0.20 0.39 -0.76 0.00 0.00 0.00 178.15 178.85 3cys s LEU 90 N -10.11 3.07 0.39 1.44 1.02 -1.26 -5.08 118.68 108.15 3cys s LEU 90 Ca -0.13 1.45 0.06 0.00 0.02 0.00 0.00 54.13 55.53 3cys s LEU 90 Cb 0.15 -4.35 -0.02 0.00 0.02 0.00 0.00 46.19 41.99 3cys s LEU 90 CO 0.78 -1.30 0.20 -0.54 0.02 0.00 0.00 176.35 175.52 3cys s LYS 91 N -5.14 1.90 -0.90 1.70 1.02 -1.26 -4.76 119.74 112.30 3cys s LYS 91 Ca 0.57 -2.15 -0.13 0.00 0.02 0.00 0.00 55.97 54.28 3cys s LYS 91 Cb -0.13 -0.19 0.23 0.00 -0.52 0.00 0.00 37.83 37.22 3cys s LYS 91 CO 0.54 -0.59 0.86 -1.01 -0.92 0.00 0.00 175.35 174.23 3cys s HIS 92 N -3.27 3.86 0.13 3.18 3.76 -1.26 -4.88 115.29 116.81 3cys s HIS 92 Ca 0.30 -2.14 -0.14 0.00 -0.15 0.00 0.00 55.06 52.94 3cys s HIS 92 Cb 0.02 -3.84 -0.03 0.00 1.11 0.00 0.00 32.58 29.84 3cys s HIS 92 CO 0.21 -1.00 1.53 1.79 -0.85 0.00 0.00 174.74 176.42 3cys h THR 93 N 4.56 1.28 0.00 1.30 1.35 -1.95 -3.41 112.91 116.03 3cys h THR 93 Ca 0.13 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 3cys h THR 93 Cb 1.00 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3cys h THR 93 CO 0.82 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 177.10 3cys n GLY 94 N -0.17 -0.82 3.80 5.82 0.00 -1.26 -4.83 105.19 107.73 3cys n GLY 94 Ca -0.01 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 3cys n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cys s PRO 95 N -0.63 3.78 0.00 1.61 0.04 -1.25 -3.56 135.00 135.00 3cys s PRO 95 Ca 0.00 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.39 3cys s PRO 95 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3cys s PRO 95 CO 0.00 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.01 3cys n GLY 96 N -0.28 3.23 3.77 0.56 0.00 0.79 -4.93 105.19 108.32 3cys n GLY 96 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3cys n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cys s ILE 97 N -2.98 2.37 -0.25 -0.61 -1.09 -1.23 -0.33 121.20 117.07 3cys s ILE 97 Ca 0.00 0.33 -0.02 0.00 -2.23 0.00 0.00 60.65 58.73 3cys s ILE 97 Cb 0.00 -3.20 0.03 0.00 -1.58 0.00 0.00 42.46 37.71 3cys s ILE 97 CO 0.00 0.05 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.49 3cys s LEU 98 N -2.54 3.28 0.46 2.97 0.20 -0.33 -0.75 118.68 121.98 3cys s LEU 98 Ca 0.58 -0.90 0.07 0.00 0.69 0.00 0.00 54.13 54.57 3cys s LEU 98 Cb -0.41 -1.68 -0.01 0.00 -0.43 0.00 0.00 46.19 43.67 3cys s LEU 98 CO 0.52 -0.14 0.35 -0.94 -0.29 0.00 0.00 176.35 175.85 3cys s SER 99 N 1.33 4.76 -0.13 3.68 1.04 0.36 -3.23 113.70 121.51 3cys s SER 99 Ca -0.00 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.45 3cys s SER 99 Cb -0.17 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.76 3cys s SER 99 CO -0.04 -0.80 -0.20 -0.04 0.98 0.00 0.00 173.24 173.14 3cys s MET 100 N -4.14 3.13 0.41 4.02 -1.94 1.00 0.21 119.30 121.98 3cys s MET 100 Ca 0.42 -0.82 -0.23 0.00 -1.71 0.00 0.00 55.69 53.35 3cys s MET 100 Cb -0.01 -2.45 -0.10 0.00 2.01 0.00 0.00 34.83 34.28 3cys s MET 100 CO 0.24 0.10 1.00 0.00 -0.01 0.00 0.00 175.02 176.36 3cys s ALA 101 N 0.56 3.06 -0.11 3.03 0.00 -0.97 -3.34 121.76 124.00 3cys s ALA 101 Ca -0.12 0.57 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 3cys s ALA 101 Cb -0.16 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.80 3cys s ALA 101 CO 0.04 -0.06 0.62 0.54 0.00 0.00 0.00 175.76 176.90 3cys s ASN 102 N -1.82 -0.60 -0.19 0.00 2.20 -1.26 -4.28 114.94 108.99 3cys s ASN 102 Ca 0.59 0.82 0.15 0.00 -0.94 0.00 0.00 52.86 53.48 3cys s ASN 102 Cb -0.17 0.76 0.68 0.00 -2.00 0.00 0.00 41.25 40.52 3cys s ASN 102 CO 0.21 -0.46 1.59 0.00 -2.94 0.00 0.00 177.10 175.50 3cys n ALA 103 N 1.54 3.39 0.00 3.54 0.00 -1.26 -5.02 120.51 122.70 3cys n ALA 103 Ca -0.18 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.23 3cys n ALA 103 Cb 0.56 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3cys n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cys n GLY 104 N 0.19 0.36 3.68 0.00 0.00 -1.26 -5.01 105.19 103.15 3cys n GLY 104 Ca 0.24 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 3cys n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cys s PRO 105 N -2.00 4.32 -0.89 1.61 0.04 -1.26 -3.46 135.00 133.35 3cys s PRO 105 Ca 0.00 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 3cys s PRO 105 Cb 0.00 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.93 3cys s PRO 105 CO 0.00 -0.52 0.77 0.09 0.04 0.00 0.00 177.00 177.38 3cys n ASN 106 N 5.57 -4.18 -0.06 6.66 5.03 -1.26 -4.90 115.26 122.13 3cys n ASN 106 Ca 0.12 -0.38 0.01 0.00 0.87 0.00 0.00 54.58 55.20 3cys n ASN 106 Cb 0.46 -3.59 0.00 0.00 -1.02 0.00 0.00 39.78 35.63 3cys n ASN 106 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3cys n THR 107 N -3.91 0.00 -1.63 3.41 -2.24 -1.22 -4.30 114.28 104.39 3cys n THR 107 Ca -0.05 -0.49 -0.48 0.00 -2.27 0.00 0.00 64.05 60.76 3cys n THR 107 Cb 0.56 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 3cys n THR 107 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3cys n ASN 108 N -0.17 3.16 -1.75 3.42 3.02 -1.25 -4.60 115.26 117.10 3cys n ASN 108 Ca 0.01 0.76 -0.19 0.00 -0.03 0.00 0.00 54.58 55.14 3cys n ASN 108 Cb 0.04 -1.37 0.08 0.00 -0.61 0.00 0.00 39.78 37.92 3cys n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cys n GLY 109 N 5.00 5.98 2.42 7.41 0.00 -1.26 -1.56 105.19 123.17 3cys n GLY 109 Ca 0.27 -2.25 -0.19 0.00 0.00 0.00 0.00 46.02 43.84 3cys n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cys n SER 110 N -0.85 -5.52 -4.11 1.61 7.64 -1.26 -1.12 113.62 110.02 3cys n SER 110 Ca 0.41 0.10 -0.43 0.00 1.01 0.00 0.00 58.87 59.96 3cys n SER 110 Cb 0.90 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 3cys n SER 110 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cys n GLN 111 N -2.76 3.65 -0.66 1.43 3.00 -1.26 -4.80 117.38 115.98 3cys n GLN 111 Ca -0.22 -3.84 -0.29 0.00 -0.01 0.00 0.00 57.00 52.64 3cys n GLN 111 Cb 0.67 -2.88 0.23 0.00 0.00 0.00 0.00 30.24 28.26 3cys n GLN 111 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 3cys s PHE 112 N 0.19 1.49 -0.22 1.08 -0.12 -1.26 -2.29 117.98 116.86 3cys s PHE 112 Ca 0.39 1.22 -0.04 0.00 -0.05 0.00 0.00 56.93 58.45 3cys s PHE 112 Cb 0.04 -3.14 0.12 0.00 -0.63 0.00 0.00 43.02 39.40 3cys s PHE 112 CO 0.01 -3.63 0.36 0.12 -0.05 0.00 0.00 175.22 172.04 3cys s PHE 113 N -2.55 -0.74 0.23 3.49 2.19 0.13 -4.28 117.98 116.44 3cys s PHE 113 Ca 0.68 0.92 -0.26 0.00 0.33 0.00 0.00 56.93 58.60 3cys s PHE 113 Cb -0.24 0.03 -0.09 0.00 -1.31 0.00 0.00 43.02 41.42 3cys s PHE 113 CO 0.63 -0.63 0.84 0.42 1.83 0.00 0.00 175.22 178.31 3cys s ILE 114 N 2.53 4.29 -0.15 3.12 1.01 -1.24 -0.48 121.20 130.27 3cys s ILE 114 Ca 0.09 1.76 -0.08 0.00 0.00 0.00 0.00 60.65 62.42 3cys s ILE 114 Cb -0.15 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3cys s ILE 114 CO -0.14 0.39 0.12 0.00 0.00 0.00 0.00 174.94 175.31 3cys n THR 116 N 2.67 1.61 -3.85 0.00 -1.04 0.30 -0.15 114.28 113.82 3cys n THR 116 Ca -0.18 -1.62 0.00 0.00 -2.04 0.00 0.00 64.05 60.21 3cys n THR 116 Cb 0.54 0.08 0.01 0.00 -1.82 0.00 0.00 70.33 69.13 3cys n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cys s ALA 117 N -2.05 -2.07 0.02 2.41 0.00 -1.25 -4.55 121.76 114.26 3cys s ALA 117 Ca 0.25 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 3cys s ALA 117 Cb 0.20 0.71 -0.07 0.00 0.00 0.00 0.00 23.12 23.97 3cys s ALA 117 CO 0.06 -1.09 1.50 0.21 0.00 0.00 0.00 175.76 176.44 3cys s LYS 118 N -2.26 4.25 -0.60 0.00 2.20 -1.26 -3.85 119.74 118.22 3cys s LYS 118 Ca 0.22 2.11 0.05 0.00 -0.36 0.00 0.00 55.97 57.99 3cys s LYS 118 Cb -0.00 -3.60 0.18 0.00 -1.51 0.00 0.00 37.83 32.90 3cys s LYS 118 CO 0.01 -0.65 0.48 0.25 -0.36 0.00 0.00 175.35 175.08 3cys n THR 119 N 4.72 0.77 0.27 3.43 -2.24 -1.26 -4.91 114.28 115.06 3cys n THR 119 Ca 0.14 -4.45 0.12 0.00 -2.27 0.00 0.00 64.05 57.60 3cys n THR 119 Cb 0.42 -2.01 0.19 0.00 -2.10 0.00 0.00 70.33 66.83 3cys n THR 119 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3cys h GLU 120 N 5.23 0.00 -0.00 -0.78 4.11 -1.93 -2.96 114.58 118.25 3cys h GLU 120 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3cys h GLU 120 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3cys h GLU 120 CO 0.62 0.00 -0.15 -2.67 0.07 0.00 0.00 179.01 176.87 3cys n TRP 121 N -2.96 0.00 0.25 2.06 2.14 -1.26 -2.25 117.44 115.41 3cys n TRP 121 Ca 0.04 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.68 3cys n TRP 121 Cb 0.52 -0.21 0.11 0.00 -0.81 0.00 0.00 31.31 30.91 3cys n TRP 121 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3cys n LEU 122 N -1.02 2.50 -4.69 5.67 4.77 -1.12 -4.90 117.00 118.21 3cys n LEU 122 Ca 0.13 -1.40 -0.42 0.00 -0.03 0.00 0.00 56.01 54.28 3cys n LEU 122 Cb 0.30 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3cys n LEU 122 CO 0.25 0.54 0.77 -0.62 -1.33 0.00 0.00 177.39 177.00 3cys s ASP 123 N -1.06 7.23 0.00 -1.43 2.15 -0.96 -2.57 116.67 120.03 3cys s ASP 123 Ca 0.20 1.51 0.00 0.00 0.43 0.00 0.00 52.55 54.69 3cys s ASP 123 Cb 0.12 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 3cys s ASP 123 CO 0.17 -0.43 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 3cys n GLY 124 N 3.11 3.37 0.14 2.66 0.00 -1.26 -4.82 105.19 108.39 3cys n GLY 124 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3cys n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cys n LYS 125 N -1.72 0.76 -4.04 1.61 3.00 -1.17 -4.93 118.16 111.67 3cys n LYS 125 Ca 0.00 0.26 -0.29 0.00 -0.00 0.00 0.00 58.31 58.28 3cys n LYS 125 Cb 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 35.03 33.26 3cys n LYS 125 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3cys s HIS 126 N -2.56 3.22 -0.17 5.64 3.76 -1.06 -4.82 115.29 119.30 3cys s HIS 126 Ca -0.22 0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 54.63 3cys s HIS 126 Cb 0.07 -1.61 -0.05 0.00 1.11 0.00 0.00 32.58 32.10 3cys s HIS 126 CO 0.77 0.53 0.26 0.08 -0.85 0.00 0.00 174.74 175.54 3cys s VAL 127 N -1.51 5.32 -0.27 -0.90 1.01 -1.21 -4.79 120.40 118.04 3cys s VAL 127 Ca 0.30 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.69 3cys s VAL 127 Cb -0.12 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3cys s VAL 127 CO 0.23 0.39 0.10 -0.69 0.00 0.00 0.00 175.10 175.13 3cys s VAL 128 N 0.49 4.40 0.00 2.92 1.01 -1.26 -0.00 120.40 127.95 3cys s VAL 128 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3cys s VAL 128 Cb -0.13 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3cys s VAL 128 CO 0.03 0.22 0.59 2.22 0.00 0.00 0.00 175.10 178.16 3cys n PHE 129 N 4.94 0.00 -3.63 5.22 -1.74 -1.20 -4.69 117.46 116.36 3cys n PHE 129 Ca -0.15 -0.15 -0.11 0.00 -0.56 0.00 0.00 57.45 56.47 3cys n PHE 129 Cb 0.50 -0.02 -0.05 0.00 1.52 0.00 0.00 39.48 41.44 3cys n PHE 129 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3cys s GLY 130 N -0.31 -0.29 -0.19 4.97 0.00 -1.23 -0.79 107.32 109.48 3cys s GLY 130 Ca 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 44.72 44.61 3cys s GLY 130 CO 0.00 -0.21 0.50 1.25 0.00 0.00 0.00 173.10 174.64 3cys s LYS 131 N -3.51 0.57 -0.55 2.90 2.36 -1.26 -1.19 119.74 119.06 3cys s LYS 131 Ca 0.01 0.73 -0.28 0.00 -2.55 0.00 0.00 55.97 53.88 3cys s LYS 131 Cb 0.01 0.25 0.02 0.00 -1.05 0.00 0.00 37.83 37.06 3cys s LYS 131 CO -0.10 -0.08 1.37 0.08 1.55 0.00 0.00 175.35 178.17 3cys s VAL 132 N 0.43 3.85 0.14 4.02 1.01 0.55 -1.86 120.40 128.54 3cys s VAL 132 Ca -0.01 0.75 -0.08 0.00 0.00 0.00 0.00 61.98 62.64 3cys s VAL 132 Cb -0.04 -4.48 -0.13 0.00 0.00 0.00 0.00 36.38 31.73 3cys s VAL 132 CO -0.01 -1.17 1.37 0.07 0.00 0.00 0.00 175.10 175.36 3cys h LYS 133 N 10.70 0.64 -3.14 2.72 2.10 -1.89 -3.46 116.57 124.24 3cys h LYS 133 Ca -0.26 -0.51 -0.15 0.00 -2.00 0.00 0.00 60.65 57.73 3cys h LYS 133 Cb 1.09 0.10 -0.24 0.00 -0.90 0.00 0.00 32.23 32.28 3cys h LYS 133 CO 1.17 1.13 -0.39 -1.21 -2.00 0.00 0.00 179.45 178.14 3cys s GLU 134 N -3.73 0.41 0.00 0.07 2.02 -1.26 -4.90 118.70 111.30 3cys s GLU 134 Ca -0.08 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.06 3cys s GLU 134 Cb 0.10 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.51 3cys s GLU 134 CO 0.88 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.49 3cys n GLY 135 N 2.40 1.02 0.39 -1.39 0.00 -1.26 -2.01 105.19 104.33 3cys n GLY 135 Ca -0.16 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.07 3cys n GLY 135 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3cys h MET 136 N 0.18 0.04 -0.56 1.61 2.86 -1.89 0.47 114.93 117.64 3cys h MET 136 Ca 0.00 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 3cys h MET 136 Cb 0.00 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3cys h MET 136 CO 0.00 0.03 -0.03 -0.97 1.06 0.00 0.00 176.91 177.00 3cys h ASN 137 N 0.05 0.97 0.38 1.22 -0.73 -1.96 0.87 115.58 116.38 3cys h ASN 137 Ca 0.28 -0.28 -0.15 0.00 1.87 0.00 0.00 56.30 58.02 3cys h ASN 137 Cb 1.07 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.39 3cys h ASN 137 CO -0.02 1.04 -0.64 0.40 -0.37 0.00 0.00 177.43 177.84 3cys h ILE 138 N 0.90 1.40 -0.07 2.57 1.08 -0.53 0.26 117.51 123.12 3cys h ILE 138 Ca 0.16 -2.06 -0.01 0.00 -0.39 0.00 0.00 64.86 62.56 3cys h ILE 138 Cb 0.57 2.06 -0.00 0.00 -3.07 0.00 0.00 36.82 36.38 3cys h ILE 138 CO 0.03 0.61 0.02 0.58 -0.69 0.00 0.00 178.15 178.70 3cys h VAL 139 N 0.17 1.17 -0.36 1.67 2.07 -0.53 -0.51 116.25 119.93 3cys h VAL 139 Ca -0.01 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3cys h VAL 139 Cb 1.16 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3cys h VAL 139 CO 0.10 0.14 0.24 -0.08 0.02 0.00 0.00 177.57 177.99 3cys h GLU 140 N -0.08 0.46 -0.08 1.57 4.57 -0.60 0.13 114.58 120.55 3cys h GLU 140 Ca 0.02 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3cys h GLU 140 Cb 0.21 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3cys h GLU 140 CO -0.00 0.31 -0.02 0.00 -1.18 0.00 0.00 179.01 178.11 3cys h ALA 141 N 1.78 0.10 0.00 2.92 0.00 -0.59 -2.78 119.26 120.70 3cys h ALA 141 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3cys h ALA 141 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3cys h ALA 141 CO -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.05 3cys h MET 142 N -0.20 0.00 -0.01 0.00 -0.00 -0.58 -1.20 114.93 112.95 3cys h MET 142 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 3cys h MET 142 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 3cys h MET 142 CO 0.01 0.00 -0.02 0.39 -0.00 0.00 0.00 176.91 177.28 3cys n GLU 143 N -2.42 1.18 0.00 -0.10 -0.58 0.40 -3.35 120.64 115.77 3cys n GLU 143 Ca 0.03 -0.42 -0.21 0.00 -0.42 0.00 0.00 57.16 56.14 3cys n GLU 143 Cb 0.31 -1.49 -0.14 0.00 -0.57 0.00 0.00 31.44 29.55 3cys n GLU 143 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3cys h ARG 144 N 1.02 0.23 0.07 3.49 9.65 -0.96 -3.40 114.38 124.48 3cys h ARG 144 Ca 0.00 -0.40 -0.00 0.00 -1.10 0.00 0.00 59.98 58.48 3cys h ARG 144 Cb 0.27 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 3cys h ARG 144 CO 0.00 1.19 -0.03 0.74 2.80 0.00 0.00 179.97 184.67 3cys h PHE 145 N -0.34 -0.09 -3.36 2.20 0.04 -1.62 -3.41 116.94 110.35 3cys h PHE 145 Ca -0.30 -0.00 -0.55 0.00 2.80 0.00 0.00 57.97 59.92 3cys h PHE 145 Cb 1.73 0.03 -0.04 0.00 2.20 0.00 0.00 35.95 39.87 3cys h PHE 145 CO 0.13 0.25 0.07 0.20 -0.60 0.00 0.00 178.31 178.35 3cys s GLY 146 N -2.84 2.74 0.00 -1.45 0.00 -1.21 -4.37 107.32 100.18 3cys s GLY 146 Ca -0.15 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.74 3cys s GLY 146 CO 0.64 0.79 0.00 1.44 0.00 0.00 0.00 173.10 175.97 3cys n SER 147 N 2.24 0.00 0.00 1.64 7.64 -1.24 -4.34 113.62 119.55 3cys n SER 147 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 3cys n SER 147 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 3cys n SER 147 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3cys n ARG 148 N 0.00 0.00 -1.93 1.43 0.63 -1.26 -4.29 116.66 111.24 3cys n ARG 148 Ca 0.00 0.46 -0.35 0.00 -0.92 0.00 0.00 57.85 57.04 3cys n ARG 148 Cb 0.00 -1.15 0.04 0.00 0.45 0.00 0.00 32.46 31.80 3cys n ARG 148 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3cys n ASN 149 N -1.88 6.80 -2.92 6.15 6.94 -1.26 -4.87 115.26 124.23 3cys n ASN 149 Ca 0.00 -3.80 -0.08 0.00 -0.02 0.00 0.00 54.58 50.68 3cys n ASN 149 Cb 0.00 -0.87 0.01 0.00 -2.36 0.00 0.00 39.78 36.55 3cys n ASN 149 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3cys n GLY 150 N -0.61 -2.07 0.00 4.83 0.00 -1.26 -4.87 105.19 101.20 3cys n GLY 150 Ca 0.52 0.85 0.00 0.00 0.00 0.00 0.00 46.02 47.39 3cys n GLY 150 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3cys n LYS 151 N 0.23 0.00 -0.37 1.61 2.85 -0.19 -4.75 118.16 117.55 3cys n LYS 151 Ca 0.04 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.23 3cys n LYS 151 Cb 0.33 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.76 3cys n LYS 151 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 3cys n THR 152 N -0.79 0.00 -3.15 0.58 5.66 -1.26 -4.50 114.28 110.81 3cys n THR 152 Ca 0.00 -0.19 -0.21 0.00 -3.05 0.00 0.00 64.05 60.60 3cys n THR 152 Cb 0.00 -1.65 -0.04 0.00 -1.55 0.00 0.00 70.33 67.09 3cys n THR 152 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3cys n SER 153 N -3.25 1.68 0.00 1.09 7.64 -1.26 -4.98 113.62 114.53 3cys n SER 153 Ca 0.04 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.79 3cys n SER 153 Cb 0.13 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 3cys n SER 153 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3cys n LYS 154 N 0.38 0.00 -3.84 1.43 2.85 -1.26 -5.11 118.16 112.61 3cys n LYS 154 Ca 0.26 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.23 3cys n LYS 154 Cb 0.57 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.82 3cys n LYS 154 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3cys s LYS 155 N 1.84 1.96 -0.63 -1.58 1.02 -1.26 -5.02 119.74 116.07 3cys s LYS 155 Ca 0.00 -2.76 -0.18 0.00 0.02 0.00 0.00 55.97 53.05 3cys s LYS 155 Cb 0.00 -3.04 0.12 0.00 -0.52 0.00 0.00 37.83 34.40 3cys s LYS 155 CO 0.00 -1.21 0.71 0.42 -0.92 0.00 0.00 175.35 174.35 3cys s ILE 156 N -0.61 4.96 0.20 2.17 1.01 -1.26 -0.85 121.20 126.82 3cys s ILE 156 Ca 0.21 -1.28 0.11 0.00 0.00 0.00 0.00 60.65 59.70 3cys s ILE 156 Cb -0.15 -4.49 -0.04 0.00 0.01 0.00 0.00 42.46 37.79 3cys s ILE 156 CO -0.08 -1.11 -0.22 0.42 0.00 0.00 0.00 174.94 173.96 3cys s THR 157 N 2.25 2.49 -0.40 2.92 -4.23 -0.08 -2.94 115.64 115.65 3cys s THR 157 Ca 0.12 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.39 3cys s THR 157 Cb -0.22 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.43 3cys s THR 157 CO 0.03 -0.13 0.83 -0.63 -0.54 0.00 0.00 174.62 174.18 3cys s ILE 158 N -1.73 4.65 0.03 2.99 1.01 -0.98 -0.28 121.20 126.88 3cys s ILE 158 Ca 0.22 0.84 -0.30 0.00 0.00 0.00 0.00 60.65 61.41 3cys s ILE 158 Cb -0.08 -4.29 -0.17 0.00 0.01 0.00 0.00 42.46 37.93 3cys s ILE 158 CO 0.11 -0.57 1.27 0.00 0.00 0.00 0.00 174.94 175.75 3cys h ALA 159 N 8.66 -1.02 -2.92 9.38 0.00 -1.91 -3.37 119.26 128.09 3cys h ALA 159 Ca -0.24 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.44 3cys h ALA 159 Cb 1.09 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 3cys h ALA 159 CO 0.95 -0.97 0.06 -0.51 0.00 0.00 0.00 179.25 178.78 3cys s ASP 160 N -4.38 -0.19 0.20 0.00 1.01 -1.26 -4.90 116.67 107.14 3cys s ASP 160 Ca -0.16 -0.73 0.05 0.00 0.71 0.00 0.00 52.55 52.42 3cys s ASP 160 Cb 0.02 0.65 -0.05 0.00 1.01 0.00 0.00 42.92 44.55 3cys s ASP 160 CO 0.49 -1.23 -0.08 0.00 0.21 0.00 0.00 175.17 174.56 3cys s GLY 162 N -3.27 1.74 -0.17 0.00 0.00 -0.00 -4.98 107.32 100.62 3cys s GLY 162 Ca 0.22 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.11 3cys s GLY 162 CO 0.05 -1.49 0.28 1.62 0.00 0.00 0.00 173.10 173.56 3cys s GLN 163 N -3.98 0.20 -1.29 2.90 0.74 -1.26 -3.36 119.66 113.61 3cys s GLN 163 Ca 0.38 0.55 -0.12 0.00 0.05 0.00 0.00 55.36 56.23 3cys s GLN 163 Cb 0.06 -0.47 0.15 0.00 1.10 0.00 0.00 33.01 33.85 3cys s GLN 163 CO 0.15 -0.46 1.80 1.28 -0.55 0.00 0.00 175.29 177.51 3cys n LEU 164 N 5.34 6.21 0.00 3.68 4.77 -0.72 -5.03 117.00 131.25 3cys n LEU 164 Ca -0.06 -4.49 0.07 0.00 -0.03 0.00 0.00 56.01 51.51 3cys n LEU 164 Cb 0.50 -1.56 0.42 0.00 -2.33 0.00 0.00 43.42 40.45 3cys n LEU 164 CO 0.05 1.10 0.63 -1.84 -1.33 0.00 0.00 177.39 176.00