#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c1s n LYS 3 N 0.00 2.36 -0.98 5.56 4.76 -1.26 -1.84 118.16 126.76 2c1s n LYS 3 Ca 0.00 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.30 2c1s n LYS 3 Cb 0.00 -2.67 0.00 0.00 -1.84 0.00 0.00 35.03 30.52 2c1s n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2c1s n GLU 5 N -1.66 2.07 0.05 0.00 2.13 -0.76 -4.89 120.64 117.57 2c1s n GLU 5 Ca 0.00 0.76 0.01 0.00 0.66 0.00 0.00 57.16 58.59 2c1s n GLU 5 Cb 0.16 -2.58 0.34 0.00 0.27 0.00 0.00 31.44 29.62 2c1s n GLU 5 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2c1s h LEU 6 N 8.90 0.39 -9.55 4.31 3.38 -1.94 -3.43 115.31 117.37 2c1s h LEU 6 Ca -0.48 -0.07 -0.58 0.00 0.09 0.00 0.00 57.88 56.83 2c1s h LEU 6 Cb 1.28 -0.10 0.07 0.00 0.09 0.00 0.00 40.66 42.00 2c1s h LEU 6 CO 0.95 0.48 0.70 1.67 0.09 0.00 0.00 178.44 182.33 2c1s n GLN 7 N -4.29 2.08 0.00 1.13 7.27 -1.26 -4.56 117.38 117.75 2c1s n GLN 7 Ca 0.01 0.75 0.00 0.00 0.07 0.00 0.00 57.00 57.82 2c1s n GLN 7 Cb 0.25 -2.45 0.00 0.00 2.41 0.00 0.00 30.24 30.44 2c1s n GLN 7 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2c1s n GLY 8 N 2.71 0.73 3.47 1.69 0.00 -0.07 -4.94 105.19 108.77 2c1s n GLY 8 Ca 0.14 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 2c1s n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2c1s s LEU 9 N 0.00 2.91 0.05 0.99 2.96 -1.26 -0.88 118.68 123.44 2c1s s LEU 9 Ca 0.00 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2c1s s LEU 9 Cb 0.00 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2c1s s LEU 9 CO 0.00 0.26 -0.08 0.26 -1.32 0.00 0.00 176.35 175.47 2c1s s TRP 10 N -0.23 0.71 0.01 5.38 0.52 -0.17 -1.06 118.94 124.10 2c1s s TRP 10 Ca 0.02 -0.53 0.01 0.00 0.02 0.00 0.00 56.10 55.62 2c1s s TRP 10 Cb -0.13 -0.42 -0.01 0.00 -1.15 0.00 0.00 33.47 31.76 2c1s s TRP 10 CO 0.03 -0.08 -0.05 0.50 0.02 0.00 0.00 176.95 177.37 2c1s s ARG 11 N -1.76 0.39 0.50 4.98 3.52 -0.15 -0.64 118.95 125.80 2c1s s ARG 11 Ca -0.08 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.27 2c1s s ARG 11 Cb -0.09 -0.31 0.05 0.00 -1.56 0.00 0.00 34.95 33.04 2c1s s ARG 11 CO 0.00 0.08 0.42 0.27 -0.81 0.00 0.00 175.30 175.26 2c1s n ASN 12 N 2.59 2.49 0.01 -2.12 0.23 -0.34 -0.37 115.26 117.75 2c1s n ASN 12 Ca -0.15 -2.66 0.09 0.00 -0.53 0.00 0.00 54.58 51.33 2c1s n ASN 12 Cb 0.58 -0.09 0.39 0.00 -2.08 0.00 0.00 39.78 38.58 2c1s n ASN 12 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2c1s n GLU 13 N -1.74 0.02 0.00 -3.83 0.00 -1.16 -1.67 120.64 112.27 2c1s n GLU 13 Ca 0.01 0.21 0.12 0.00 0.00 0.00 0.00 57.16 57.50 2c1s n GLU 13 Cb 0.56 -1.53 0.31 0.00 0.00 0.00 0.00 31.44 30.78 2c1s n GLU 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2c1s n LEU 14 N -1.57 0.70 0.00 -1.84 4.77 -1.26 -4.93 117.00 112.86 2c1s n LEU 14 Ca 0.04 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2c1s n LEU 14 Cb 0.22 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2c1s n LEU 14 CO 0.17 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2c1s n GLY 15 N 1.43 0.72 3.77 -0.72 0.00 -0.67 -4.68 105.19 105.04 2c1s n GLY 15 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2c1s n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c1s s SER 16 N -2.69 6.60 0.05 1.61 0.01 -1.26 -4.53 113.70 113.49 2c1s s SER 16 Ca 0.00 2.44 0.06 0.00 1.31 0.00 0.00 55.95 59.76 2c1s s SER 16 Cb 0.00 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 2c1s s SER 16 CO 0.00 -0.63 -0.12 0.20 0.41 0.00 0.00 173.24 173.10 2c1s s ASN 17 N -0.95 4.23 -0.05 2.44 0.01 -0.51 -1.20 114.94 118.91 2c1s s ASN 17 Ca 0.55 -0.33 -0.07 0.00 -0.71 0.00 0.00 52.86 52.30 2c1s s ASN 17 Cb -0.33 -0.82 0.01 0.00 0.41 0.00 0.00 41.25 40.52 2c1s s ASN 17 CO 0.43 0.24 0.17 0.00 -1.51 0.00 0.00 177.10 176.43 2c1s s MET 18 N -1.66 0.29 -0.14 -0.60 0.23 0.19 -0.05 119.30 117.55 2c1s s MET 18 Ca 0.17 0.08 -0.02 0.00 -1.03 0.00 0.00 55.69 54.90 2c1s s MET 18 Cb -0.11 0.13 -0.02 0.00 -1.53 0.00 0.00 34.83 33.30 2c1s s MET 18 CO 0.08 -0.05 -0.08 0.99 -2.03 0.00 0.00 175.02 173.93 2c1s s THR 19 N -0.30 3.47 -0.14 3.16 2.01 -0.12 -1.00 115.64 122.72 2c1s s THR 19 Ca -0.04 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 2c1s s THR 19 Cb -0.03 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 2c1s s THR 19 CO 0.01 0.51 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.72 2c1s s ILE 20 N 0.32 3.30 1.02 1.82 1.01 -0.06 -0.77 121.20 127.83 2c1s s ILE 20 Ca -0.07 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 2c1s s ILE 20 Cb -0.15 -2.41 0.20 0.00 0.01 0.00 0.00 42.46 40.11 2c1s s ILE 20 CO 0.04 0.51 1.16 -0.94 0.00 0.00 0.00 174.94 175.71 2c1s s SER 21 N 0.46 2.57 0.54 3.58 1.04 0.02 -0.90 113.70 121.01 2c1s s SER 21 Ca -0.08 0.77 -0.22 0.00 0.48 0.00 0.00 55.95 56.91 2c1s s SER 21 Cb -0.15 -1.17 -0.05 0.00 0.10 0.00 0.00 66.02 64.75 2c1s s SER 21 CO 0.04 -3.12 1.33 0.00 0.98 0.00 0.00 173.24 172.47 2c1s s ALA 22 N -3.27 2.82 0.26 5.32 0.00 -1.26 -4.38 121.76 121.25 2c1s s ALA 22 Ca 0.68 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 53.62 2c1s s ALA 22 Cb -0.12 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.36 2c1s s ALA 22 CO 0.55 -1.30 1.03 -0.51 0.00 0.00 0.00 175.76 175.52 2c1s s LEU 23 N -3.51 4.60 0.00 0.00 1.02 -1.26 -4.65 118.68 114.88 2c1s s LEU 23 Ca 0.71 2.12 -0.10 0.00 0.02 0.00 0.00 54.13 56.88 2c1s s LEU 23 Cb -0.39 -3.62 0.15 0.00 0.02 0.00 0.00 46.19 42.35 2c1s s LEU 23 CO 0.46 -0.01 0.87 -0.90 0.02 0.00 0.00 176.35 176.79 2c1s n ASP 24 N 1.35 0.18 0.05 2.29 5.68 0.32 -4.88 116.55 121.55 2c1s n ASP 24 Ca -0.01 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 2c1s n ASP 24 Cb 0.46 -0.66 0.31 0.00 -1.14 0.00 0.00 41.12 40.10 2c1s n ASP 24 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2c1s h VAL 25 N -1.39 1.20 0.00 2.12 2.07 -1.97 -0.73 116.25 117.55 2c1s h VAL 25 Ca -0.28 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2c1s h VAL 25 Cb 0.81 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2c1s h VAL 25 CO 0.21 0.29 0.00 0.00 0.02 0.00 0.00 177.57 178.09 2c1s n ALA 26 N -2.48 2.53 -0.93 1.67 0.00 -1.26 -4.88 120.51 115.16 2c1s n ALA 26 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2c1s n ALA 26 Cb 0.29 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2c1s n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c1s n GLY 27 N 0.71 0.72 3.83 0.00 0.00 -0.28 -4.81 105.19 105.35 2c1s n GLY 27 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2c1s n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c1s s THR 28 N -2.78 4.48 0.18 2.61 -4.23 -1.26 -0.40 115.64 114.25 2c1s s THR 28 Ca 0.00 1.31 -0.08 0.00 -1.18 0.00 0.00 61.69 61.74 2c1s s THR 28 Cb 0.00 -3.61 -0.01 0.00 1.34 0.00 0.00 72.50 70.21 2c1s s THR 28 CO 0.00 -0.31 0.29 0.72 -0.54 0.00 0.00 174.62 174.77 2c1s s PHE 29 N -2.16 0.51 0.44 3.99 -0.12 0.05 -0.52 117.98 120.17 2c1s s PHE 29 Ca 0.60 -0.86 0.03 0.00 -0.05 0.00 0.00 56.93 56.65 2c1s s PHE 29 Cb -0.09 -0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 2c1s s PHE 29 CO 0.16 -0.75 0.06 0.45 -0.05 0.00 0.00 175.22 175.09 2c1s s SER 30 N -3.00 3.39 0.00 1.98 0.15 -1.26 -0.63 113.70 114.32 2c1s s SER 30 Ca 0.21 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.27 2c1s s SER 30 Cb 0.03 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2c1s s SER 30 CO 0.03 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.28 2c1s n GLY 31 N -1.03 -1.13 3.12 9.45 0.00 -0.82 -0.80 105.19 113.98 2c1s n GLY 31 Ca -0.11 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 2c1s n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c1s s SER 32 N -4.00 1.04 -0.05 1.61 1.04 0.05 -1.82 113.70 111.56 2c1s s SER 32 Ca 0.00 -0.77 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 2c1s s SER 32 Cb 0.00 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.21 2c1s s SER 32 CO 0.00 -0.32 0.03 -0.47 0.98 0.00 0.00 173.24 173.46 2c1s s TYR 33 N -2.43 0.36 -0.61 5.02 5.04 0.14 -0.94 117.35 123.94 2c1s s TYR 33 Ca 0.01 0.04 -0.04 0.00 -2.44 0.00 0.00 57.07 54.64 2c1s s TYR 33 Cb -0.03 -0.63 0.16 0.00 0.35 0.00 0.00 41.96 41.80 2c1s s TYR 33 CO -0.02 -0.26 0.43 -1.14 -1.34 0.00 0.00 175.55 173.23 2c1s s GLN 34 N 2.04 2.58 0.31 4.97 2.00 0.92 -1.38 119.66 131.11 2c1s s GLN 34 Ca 0.05 -2.39 -0.28 0.00 -2.00 0.00 0.00 55.36 50.74 2c1s s GLN 34 Cb -0.12 -3.79 -0.09 0.00 0.80 0.00 0.00 33.01 29.81 2c1s s GLN 34 CO -0.04 -1.17 1.09 -0.08 -0.50 0.00 0.00 175.29 174.59 2c1s s THR 35 N 0.20 3.51 -0.47 -0.34 -1.32 -1.26 -1.43 115.64 114.54 2c1s s THR 35 Ca 0.15 1.43 0.23 0.00 -1.21 0.00 0.00 61.69 62.29 2c1s s THR 35 Cb -0.20 -3.87 0.30 0.00 -1.51 0.00 0.00 72.50 67.23 2c1s s THR 35 CO -0.04 0.27 1.59 0.00 -2.21 0.00 0.00 174.62 174.23 2c1s h ALA 36 N 3.46 0.96 -2.85 11.08 0.00 -1.83 -3.47 119.26 126.60 2c1s h ALA 36 Ca -0.47 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.10 2c1s h ALA 36 Cb 1.21 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.82 2c1s h ALA 36 CO 0.66 0.00 -0.74 0.14 0.00 0.00 0.00 179.25 179.31 2c1s s VAL 37 N -3.20 0.98 -0.04 0.00 -7.23 -1.26 -5.01 120.40 104.64 2c1s s VAL 37 Ca 0.07 -1.58 -0.13 0.00 -1.81 0.00 0.00 61.98 58.53 2c1s s VAL 37 Cb 0.06 -1.30 0.02 0.00 0.56 0.00 0.00 36.38 35.72 2c1s s VAL 37 CO 0.67 -0.49 0.28 0.28 -0.31 0.00 0.00 175.10 175.53 2c1s s THR 38 N -2.21 0.05 -1.27 5.32 -1.32 -1.26 -5.01 115.64 109.93 2c1s s THR 38 Ca 0.04 -0.39 0.29 0.00 -1.21 0.00 0.00 61.69 60.42 2c1s s THR 38 Cb -0.04 -0.54 0.39 0.00 -1.51 0.00 0.00 72.50 70.80 2c1s s THR 38 CO 0.01 -0.22 1.97 0.00 -2.21 0.00 0.00 174.62 174.17 2c1s n ALA 39 N 1.70 2.50 -1.98 11.08 0.00 -1.26 -4.87 120.51 127.69 2c1s n ALA 39 Ca -0.20 -0.15 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 2c1s n ALA 39 Cb 0.56 -1.45 0.08 0.00 0.00 0.00 0.00 19.45 18.64 2c1s n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2c1s s THR 40 N -2.74 2.34 -0.28 0.00 -4.23 -1.26 -5.02 115.64 104.45 2c1s s THR 40 Ca 0.22 -0.58 0.12 0.00 -1.18 0.00 0.00 61.69 60.27 2c1s s THR 40 Cb 0.20 -2.76 0.67 0.00 1.34 0.00 0.00 72.50 71.94 2c1s s THR 40 CO 0.50 0.00 1.67 -0.46 -0.54 0.00 0.00 174.62 175.79 2c1s n ASN 41 N -2.68 4.33 -4.92 3.99 0.23 -1.26 -5.01 115.26 109.95 2c1s n ASN 41 Ca 0.12 -3.24 -0.27 0.00 -0.53 0.00 0.00 54.58 50.65 2c1s n ASN 41 Cb 0.60 -0.68 -0.03 0.00 -2.08 0.00 0.00 39.78 37.59 2c1s n ASN 41 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2c1s s LYS 42 N -2.99 3.57 0.08 -3.83 -0.14 -1.26 -5.06 119.74 110.11 2c1s s LYS 42 Ca 0.51 -0.18 -0.31 0.00 -1.36 0.00 0.00 55.97 54.63 2c1s s LYS 42 Cb 0.41 -2.72 -0.08 0.00 -1.68 0.00 0.00 37.83 33.77 2c1s s LYS 42 CO 0.11 0.27 1.56 -1.14 -0.76 0.00 0.00 175.35 175.39 2c1s s GLN 43 N -3.62 4.23 0.30 1.68 2.00 -1.26 -4.98 119.66 118.02 2c1s s GLN 43 Ca 0.41 2.25 -0.29 0.00 -2.00 0.00 0.00 55.36 55.73 2c1s s GLN 43 Cb -0.11 -3.47 -0.10 0.00 0.80 0.00 0.00 33.01 30.13 2c1s s GLN 43 CO 0.31 -0.65 1.29 0.42 -0.50 0.00 0.00 175.29 176.15 2c1s s ILE 44 N 2.14 2.87 0.03 -2.34 1.01 -1.26 -4.81 121.20 118.85 2c1s s ILE 44 Ca 0.70 0.85 0.05 0.00 0.00 0.00 0.00 60.65 62.25 2c1s s ILE 44 Cb -0.39 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 2c1s s ILE 44 CO 0.31 0.19 -0.13 -0.76 0.00 0.00 0.00 174.94 174.55 2c1s s LEU 45 N -1.48 2.15 0.25 2.97 1.43 -1.26 -5.08 118.68 117.66 2c1s s LEU 45 Ca 0.50 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 2c1s s LEU 45 Cb -0.38 -0.58 -0.14 0.00 0.03 0.00 0.00 46.19 45.12 2c1s s LEU 45 CO 0.49 0.03 1.25 0.55 0.23 0.00 0.00 176.35 178.91 2c1s n VAL 46 N 2.00 1.29 -4.33 -1.59 3.14 -1.26 -4.54 118.33 113.04 2c1s n VAL 46 Ca -0.18 -0.32 -0.20 0.00 -2.96 0.00 0.00 64.34 60.68 2c1s n VAL 46 Cb 0.55 -1.24 -0.13 0.00 -1.06 0.00 0.00 33.84 31.95 2c1s n VAL 46 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2c1s s SER 47 N -0.03 1.72 0.44 6.55 0.01 -0.48 -4.60 113.70 117.31 2c1s s SER 47 Ca 0.66 -0.49 -0.22 0.00 1.31 0.00 0.00 55.95 57.21 2c1s s SER 47 Cb -0.70 -0.10 -0.09 0.00 0.21 0.00 0.00 66.02 65.34 2c1s s SER 47 CO 0.54 0.02 1.02 -2.16 0.41 0.00 0.00 173.24 173.07 2c1s s PRO 48 N -1.25 4.06 0.16 12.44 0.04 -1.26 0.26 135.00 149.46 2c1s s PRO 48 Ca 0.01 1.35 0.08 0.00 0.04 0.00 0.00 61.00 62.49 2c1s s PRO 48 Cb -0.08 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2c1s s PRO 48 CO 0.01 -0.21 -0.17 -0.48 0.04 0.00 0.00 177.00 176.19 2c1s s LEU 49 N -3.06 2.45 -0.04 -3.56 0.05 -0.76 -1.38 118.68 112.39 2c1s s LEU 49 Ca 0.62 -0.87 -0.01 0.00 0.05 0.00 0.00 54.13 53.92 2c1s s LEU 49 Cb -0.17 -0.79 0.03 0.00 -2.05 0.00 0.00 46.19 43.22 2c1s s LEU 49 CO 0.21 -0.06 0.07 -0.54 -0.55 0.00 0.00 176.35 175.49 2c1s s LYS 50 N -2.87 0.02 0.00 1.48 -0.14 -0.68 -1.95 119.74 115.60 2c1s s LYS 50 Ca 0.16 0.25 0.00 0.00 -1.36 0.00 0.00 55.97 55.02 2c1s s LYS 50 Cb -0.05 -0.21 0.00 0.00 -1.68 0.00 0.00 37.83 35.89 2c1s s LYS 50 CO 0.06 -0.16 0.00 0.41 -0.76 0.00 0.00 175.35 174.90 2c1s n GLY 51 N 4.13 2.96 3.41 -3.33 0.00 0.20 -0.51 105.19 112.06 2c1s n GLY 51 Ca -0.27 -1.20 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 2c1s n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c1s s ALA 52 N -1.37 -1.34 -0.01 4.61 0.00 -0.58 -0.77 121.76 122.29 2c1s s ALA 52 Ca 0.00 1.13 0.06 0.00 0.00 0.00 0.00 51.96 53.15 2c1s s ALA 52 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2c1s s ALA 52 CO 0.00 -0.30 -0.19 -1.14 0.00 0.00 0.00 175.76 174.13 2c1s s GLN 53 N -0.66 1.52 0.63 0.00 0.74 0.47 -1.58 119.66 120.78 2c1s s GLN 53 Ca -0.08 -0.69 -0.18 0.00 0.05 0.00 0.00 55.36 54.46 2c1s s GLN 53 Cb -0.03 -1.48 -0.02 0.00 1.10 0.00 0.00 33.01 32.59 2c1s s GLN 53 CO 0.05 0.40 1.24 -0.65 -0.55 0.00 0.00 175.29 175.78 2c1s s GLN 54 N -0.50 2.71 0.31 1.67 -1.52 -0.29 -4.60 119.66 117.45 2c1s s GLN 54 Ca 0.07 1.91 -0.30 0.00 -1.95 0.00 0.00 55.36 55.10 2c1s s GLN 54 Cb -0.07 -1.89 -0.11 0.00 -0.22 0.00 0.00 33.01 30.72 2c1s s GLN 54 CO -0.01 -1.43 1.58 -1.25 -0.25 0.00 0.00 175.29 173.94 2c1s s PRO 55 N -3.42 4.11 0.22 2.91 0.04 -1.26 -4.73 135.00 132.88 2c1s s PRO 55 Ca 0.79 2.59 -0.31 0.00 0.04 0.00 0.00 61.00 64.11 2c1s s PRO 55 Cb -0.33 -3.01 -0.14 0.00 0.04 0.00 0.00 34.50 31.06 2c1s s PRO 55 CO 0.37 -0.63 1.27 -0.35 0.04 0.00 0.00 177.00 177.70 2c1s n PRO 56 N 1.87 1.63 -0.38 0.56 -0.04 -1.26 -4.79 135.00 132.59 2c1s n PRO 56 Ca 0.07 0.58 -0.07 0.00 -0.04 0.00 0.00 63.50 64.04 2c1s n PRO 56 Cb 0.38 -2.14 0.05 0.00 -0.04 0.00 0.00 33.50 31.74 2c1s n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c1s n GLY 57 N 1.97 -1.52 0.49 0.55 0.00 -1.26 -5.03 105.19 100.39 2c1s n GLY 57 Ca 0.13 -1.63 0.05 0.00 0.00 0.00 0.00 46.02 44.57 2c1s n GLY 57 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c1s n THR 58 N -2.56 0.58 0.63 2.61 -2.24 -1.26 -4.64 114.28 107.40 2c1s n THR 58 Ca 0.04 -0.79 0.08 0.00 -2.27 0.00 0.00 64.05 61.11 2c1s n THR 58 Cb 0.13 0.80 0.23 0.00 -2.10 0.00 0.00 70.33 69.39 2c1s n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2c1s n LYS 59 N 0.46 2.03 -1.13 -0.78 5.02 -1.26 -4.91 118.16 117.60 2c1s n LYS 59 Ca 0.08 -1.60 -0.02 0.00 -2.02 0.00 0.00 58.31 54.76 2c1s n LYS 59 Cb 0.34 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 2c1s n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c1s n GLY 60 N 1.23 0.49 3.31 0.72 0.00 -1.26 -5.05 105.19 104.64 2c1s n GLY 60 Ca 0.16 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 2c1s n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c1s s GLN 61 N -2.30 2.88 0.38 1.61 -0.21 -1.26 -5.08 119.66 115.68 2c1s s GLN 61 Ca 0.00 -0.81 -0.25 0.00 0.02 0.00 0.00 55.36 54.32 2c1s s GLN 61 Cb 0.00 -2.35 -0.09 0.00 1.00 0.00 0.00 33.01 31.57 2c1s s GLN 61 CO 0.00 0.33 1.07 -0.65 -2.12 0.00 0.00 175.29 173.92 2c1s s GLN 62 N 0.01 4.23 0.51 2.91 -1.52 -1.26 -4.40 119.66 120.13 2c1s s GLN 62 Ca -0.07 1.61 -0.18 0.00 -1.95 0.00 0.00 55.36 54.76 2c1s s GLN 62 Cb -0.15 -2.67 -0.08 0.00 -0.22 0.00 0.00 33.01 29.90 2c1s s GLN 62 CO 0.05 -0.11 1.01 -1.25 -0.25 0.00 0.00 175.29 174.75 2c1s s PRO 63 N -2.29 3.79 0.68 2.91 0.04 -1.26 -4.73 135.00 134.14 2c1s s PRO 63 Ca 0.55 1.18 -0.13 0.00 0.04 0.00 0.00 61.00 62.65 2c1s s PRO 63 Cb -0.25 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.19 2c1s s PRO 63 CO 0.31 -0.42 1.07 0.95 0.04 0.00 0.00 177.00 178.96 2c1s s THR 64 N -2.29 3.69 0.21 1.26 -4.23 -1.26 -4.50 115.64 108.52 2c1s s THR 64 Ca 0.63 0.65 -0.16 0.00 -1.18 0.00 0.00 61.69 61.63 2c1s s THR 64 Cb -0.13 -3.24 0.02 0.00 1.34 0.00 0.00 72.50 70.48 2c1s s THR 64 CO 0.26 -0.62 0.51 0.72 -0.54 0.00 0.00 174.62 174.95 2c1s s PHE 65 N -2.75 0.01 0.06 3.99 -0.12 -0.71 -1.13 117.98 117.34 2c1s s PHE 65 Ca 0.62 -0.37 -0.14 0.00 -0.05 0.00 0.00 56.93 56.98 2c1s s PHE 65 Cb -0.16 0.34 0.02 0.00 -0.63 0.00 0.00 43.02 42.59 2c1s s PHE 65 CO 0.48 -0.95 0.32 0.20 -0.05 0.00 0.00 175.22 175.23 2c1s s GLY 66 N -2.91 -0.15 0.08 1.99 0.00 -0.61 -0.79 107.32 104.93 2c1s s GLY 66 Ca 0.13 -0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.69 2c1s s GLY 66 CO 0.01 -0.27 0.28 -0.11 0.00 0.00 0.00 173.10 173.01 2c1s s PHE 67 N -2.95 -0.02 -0.13 1.90 -0.12 0.28 -1.53 117.98 115.41 2c1s s PHE 67 Ca -0.02 -0.29 -0.02 0.00 -0.05 0.00 0.00 56.93 56.54 2c1s s PHE 67 Cb 0.00 0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.44 2c1s s PHE 67 CO -0.06 -0.57 -0.05 0.99 -0.05 0.00 0.00 175.22 175.48 2c1s s THR 68 N -3.43 3.81 -0.25 -4.49 2.01 0.33 -0.71 115.64 112.91 2c1s s THR 68 Ca 0.01 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 61.54 2c1s s THR 68 Cb 0.02 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 2c1s s THR 68 CO -0.09 0.53 0.07 -0.69 -0.69 0.00 0.00 174.62 173.75 2c1s s VAL 69 N -0.04 4.29 -0.91 3.82 1.01 0.67 -1.69 120.40 127.55 2c1s s VAL 69 Ca 0.01 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 2c1s s VAL 69 Cb -0.13 -3.00 0.19 0.00 0.00 0.00 0.00 36.38 33.44 2c1s s VAL 69 CO 0.03 0.34 0.96 -1.58 0.00 0.00 0.00 175.10 174.85 2c1s s GLN 70 N 1.58 3.69 0.24 2.72 0.74 -0.48 -2.75 119.66 125.40 2c1s s GLN 70 Ca 0.06 -2.32 -0.32 0.00 0.05 0.00 0.00 55.36 52.83 2c1s s GLN 70 Cb -0.15 -4.64 -0.12 0.00 1.10 0.00 0.00 33.01 29.20 2c1s s GLN 70 CO 0.03 -1.47 1.62 0.91 -0.55 0.00 0.00 175.29 175.83 2c1s n TRP 71 N 4.76 2.64 1.21 1.67 7.02 -1.26 -4.05 117.44 129.43 2c1s n TRP 71 Ca 0.19 0.20 0.13 0.00 -1.02 0.00 0.00 57.50 57.01 2c1s n TRP 71 Cb 0.47 -2.60 0.42 0.00 -2.42 0.00 0.00 31.31 27.17 2c1s n TRP 71 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2c1s n GLN 72 N 2.99 0.53 0.00 -0.99 1.13 -1.26 -3.86 117.38 115.92 2c1s n GLN 72 Ca 0.13 -0.27 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 2c1s n GLN 72 Cb 0.34 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.20 2c1s n GLN 72 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 2c1s n PHE 73 N -1.00 0.00 -3.80 1.08 1.16 -1.26 -4.98 117.46 108.66 2c1s n PHE 73 Ca 0.11 -0.29 -0.10 0.00 -1.87 0.00 0.00 57.45 55.29 2c1s n PHE 73 Cb 0.33 -0.03 -0.07 0.00 -1.61 0.00 0.00 39.48 38.10 2c1s n PHE 73 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2c1s s ALA 74 N -0.59 -0.46 -2.26 1.98 0.00 -1.25 -4.82 121.76 114.37 2c1s s ALA 74 Ca 0.00 -0.32 0.28 0.00 0.00 0.00 0.00 51.96 51.92 2c1s s ALA 74 Cb 0.00 0.43 1.31 0.00 0.00 0.00 0.00 23.12 24.86 2c1s s ALA 74 CO 0.00 -0.47 1.89 -0.25 0.00 0.00 0.00 175.76 176.92 2c1s n ASP 75 N 0.23 0.87 -4.93 0.00 8.00 -1.26 -4.62 116.55 114.84 2c1s n ASP 75 Ca -0.17 -1.35 -0.22 0.00 0.71 0.00 0.00 54.79 53.76 2c1s n ASP 75 Cb 0.61 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.75 2c1s n ASP 75 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c1s s SER 76 N -1.91 5.07 -0.00 -2.24 1.04 -1.26 -4.15 113.70 110.25 2c1s s SER 76 Ca 0.40 0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.89 2c1s s SER 76 Cb 0.20 -0.83 -0.00 0.00 0.10 0.00 0.00 66.02 65.49 2c1s s SER 76 CO 0.33 -1.33 -0.03 -0.89 0.98 0.00 0.00 173.24 172.31 2c1s s THR 77 N -2.91 0.20 -0.01 2.02 2.01 -0.48 -4.13 115.64 112.35 2c1s s THR 77 Ca 0.59 -0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.50 2c1s s THR 77 Cb -0.10 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 2c1s s THR 77 CO 0.40 0.03 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.29 2c1s s THR 78 N -0.13 2.69 -0.06 -0.82 2.01 -1.11 -0.17 115.64 118.06 2c1s s THR 78 Ca 0.00 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.05 2c1s s THR 78 Cb -0.01 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2c1s s THR 78 CO -0.00 0.49 -0.20 0.68 -0.69 0.00 0.00 174.62 174.90 2c1s s VAL 79 N -0.77 2.56 -0.03 3.82 -7.23 -0.12 -0.24 120.40 118.38 2c1s s VAL 79 Ca 0.12 -0.90 0.06 0.00 -1.81 0.00 0.00 61.98 59.45 2c1s s VAL 79 Cb -0.10 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 2c1s s VAL 79 CO 0.02 0.57 -0.19 -0.36 -0.31 0.00 0.00 175.10 174.83 2c1s s PHE 80 N -0.39 2.54 0.01 2.82 0.08 0.11 -1.05 117.98 122.10 2c1s s PHE 80 Ca 0.04 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.82 2c1s s PHE 80 Cb -0.12 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 40.76 2c1s s PHE 80 CO 0.02 0.10 -0.03 0.54 -0.10 0.00 0.00 175.22 175.75 2c1s s VAL 81 N -0.70 0.21 0.00 -0.44 0.11 0.21 -0.56 120.40 119.23 2c1s s VAL 81 Ca 0.11 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 2c1s s VAL 81 Cb -0.10 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 2c1s s VAL 81 CO 0.00 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.32 2c1s n GLY 82 N 2.69 1.51 3.49 6.54 0.00 0.03 -0.94 105.19 118.51 2c1s n GLY 82 Ca -0.15 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 2c1s n GLY 82 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2c1s s GLN 83 N 0.38 0.76 0.23 1.61 0.74 -0.81 -1.74 119.66 120.84 2c1s s GLN 83 Ca 0.00 0.65 -0.13 0.00 0.05 0.00 0.00 55.36 55.93 2c1s s GLN 83 Cb 0.00 0.37 -0.08 0.00 1.10 0.00 0.00 33.01 34.40 2c1s s GLN 83 CO 0.00 -0.13 0.61 0.00 -0.55 0.00 0.00 175.29 175.22 2c1s s PHE 85 N -1.72 0.68 -0.16 0.00 0.08 -0.48 -4.36 117.98 112.02 2c1s s PHE 85 Ca 0.46 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 57.13 2c1s s PHE 85 Cb -0.13 -0.41 -0.01 0.00 -0.57 0.00 0.00 43.02 41.89 2c1s s PHE 85 CO 0.20 -0.04 -0.09 0.08 -0.10 0.00 0.00 175.22 175.27 2c1s s VAL 86 N -0.93 3.31 0.72 -0.44 1.01 -1.26 -1.18 120.40 121.63 2c1s s VAL 86 Ca -0.05 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 2c1s s VAL 86 Cb -0.07 -2.44 0.16 0.00 0.00 0.00 0.00 36.38 34.03 2c1s s VAL 86 CO 0.00 0.49 0.98 -0.90 0.00 0.00 0.00 175.10 175.67 2c1s n ASP 87 N 3.92 0.18 0.29 3.32 5.68 0.17 -4.88 116.55 125.24 2c1s n ASP 87 Ca -0.18 -1.42 0.16 0.00 -0.50 0.00 0.00 54.79 52.85 2c1s n ASP 87 Cb 0.52 -0.74 0.89 0.00 -1.14 0.00 0.00 41.12 40.65 2c1s n ASP 87 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2c1s h ARG 88 N 0.00 0.00 -0.32 0.11 0.11 -2.00 -0.22 114.38 112.05 2c1s h ARG 88 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 2c1s h ARG 88 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 2c1s h ARG 88 CO 0.23 0.05 0.00 0.54 0.10 0.00 0.00 179.97 180.89 2c1s n ARG 89 N -3.54 2.29 -0.82 0.08 1.74 -1.26 -4.94 116.66 110.21 2c1s n ARG 89 Ca -0.02 -1.95 0.00 0.00 -0.77 0.00 0.00 57.85 55.10 2c1s n ARG 89 Cb 0.16 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2c1s n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2c1s n GLY 90 N 1.40 0.57 3.74 -0.13 0.00 -0.09 -5.04 105.19 105.64 2c1s n GLY 90 Ca 0.18 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2c1s n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c1s s LYS 91 N -0.49 4.53 -0.11 1.61 1.02 -1.26 -4.73 119.74 120.30 2c1s s LYS 91 Ca 0.00 1.13 -0.12 0.00 0.02 0.00 0.00 55.97 57.00 2c1s s LYS 91 Cb 0.00 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 2c1s s LYS 91 CO 0.00 0.27 0.27 -1.21 -0.92 0.00 0.00 175.35 173.76 2c1s s GLU 92 N -0.05 3.96 -0.04 1.68 2.02 -1.26 -0.65 118.70 124.35 2c1s s GLU 92 Ca 0.40 0.09 0.02 0.00 0.02 0.00 0.00 54.97 55.50 2c1s s GLU 92 Cb -0.21 -3.31 0.01 0.00 0.10 0.00 0.00 34.13 30.72 2c1s s GLU 92 CO 0.24 0.49 -0.09 -1.64 0.02 0.00 0.00 175.26 174.29 2c1s s MET 93 N -0.30 1.15 -0.28 1.61 -1.94 -0.33 -3.82 119.30 115.40 2c1s s MET 93 Ca 0.17 -0.28 -0.17 0.00 -1.71 0.00 0.00 55.69 53.70 2c1s s MET 93 Cb -0.13 -1.03 -0.03 0.00 2.01 0.00 0.00 34.83 35.65 2c1s s MET 93 CO 0.06 0.03 0.48 -0.51 -0.01 0.00 0.00 175.02 175.07 2c1s s LEU 94 N 0.54 4.09 -0.30 -0.03 1.43 0.72 -1.38 118.68 123.76 2c1s s LEU 94 Ca -0.09 0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 53.22 2c1s s LEU 94 Cb -0.13 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 2c1s s LEU 94 CO 0.01 -0.29 0.44 -1.61 0.23 0.00 0.00 176.35 175.14 2c1s s GLU 95 N 2.26 3.86 0.09 1.70 0.41 -0.29 -0.80 118.70 125.92 2c1s s GLU 95 Ca 0.19 -0.01 0.04 0.00 -0.41 0.00 0.00 54.97 54.78 2c1s s GLU 95 Cb -0.16 -3.72 -0.03 0.00 -1.78 0.00 0.00 34.13 28.44 2c1s s GLU 95 CO 0.10 -0.43 -0.12 -1.64 -0.49 0.00 0.00 175.26 172.68 2c1s s MET 96 N 2.21 0.84 0.17 1.61 -1.94 -0.32 -1.92 119.30 119.96 2c1s s MET 96 Ca 0.17 -1.07 0.10 0.00 -1.71 0.00 0.00 55.69 53.18 2c1s s MET 96 Cb -0.16 -0.68 -0.04 0.00 2.01 0.00 0.00 34.83 35.97 2c1s s MET 96 CO 0.11 0.13 -0.22 0.00 -0.01 0.00 0.00 175.02 175.03 2c1s s ALA 97 N -1.90 2.31 0.04 3.03 0.00 -0.11 -0.97 121.76 124.15 2c1s s ALA 97 Ca 0.02 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 50.39 2c1s s ALA 97 Cb -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2c1s s ALA 97 CO 0.01 0.37 0.04 1.67 0.00 0.00 0.00 175.76 177.86 2c1s s TRP 98 N -1.71 0.31 -0.06 0.00 1.48 -0.37 -0.62 118.94 117.97 2c1s s TRP 98 Ca 0.18 -0.71 0.03 0.00 -1.06 0.00 0.00 56.10 54.54 2c1s s TRP 98 Cb -0.08 -0.22 0.00 0.00 -1.16 0.00 0.00 33.47 32.01 2c1s s TRP 98 CO 0.08 -0.36 -0.15 -0.51 -4.06 0.00 0.00 176.95 171.95 2c1s s LEU 99 N -2.36 1.81 -0.24 -4.66 1.43 -0.21 -1.96 118.68 112.48 2c1s s LEU 99 Ca -0.02 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2c1s s LEU 99 Cb 0.01 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.32 2c1s s LEU 99 CO -0.06 0.10 -0.05 -0.22 0.23 0.00 0.00 176.35 176.35 2c1s s LEU 100 N 0.35 3.15 -0.31 1.79 2.96 0.16 -0.95 118.68 125.83 2c1s s LEU 100 Ca -0.10 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 52.98 2c1s s LEU 100 Cb -0.14 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 2c1s s LEU 100 CO 0.03 -0.10 0.16 -0.60 -1.32 0.00 0.00 176.35 174.52 2c1s s ARG 101 N 1.38 3.34 0.38 1.98 6.06 0.76 -0.74 118.95 132.12 2c1s s ARG 101 Ca 0.02 -0.72 -0.25 0.00 -2.50 0.00 0.00 55.73 52.27 2c1s s ARG 101 Cb -0.16 -3.59 -0.09 0.00 0.06 0.00 0.00 34.95 31.17 2c1s s ARG 101 CO -0.04 -0.43 1.12 -1.21 -2.50 0.00 0.00 175.30 172.24 2c1s s GLU 102 N 1.62 4.17 -0.12 5.12 2.02 0.44 -1.38 118.70 130.57 2c1s s GLU 102 Ca 0.05 1.72 -0.29 0.00 0.02 0.00 0.00 54.97 56.46 2c1s s GLU 102 Cb -0.17 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.34 2c1s s GLU 102 CO 0.07 -0.18 1.20 -2.00 0.02 0.00 0.00 175.26 174.36 2c1s s GLU 103 N -2.25 4.30 0.15 1.61 2.12 -1.26 -4.88 118.70 118.50 2c1s s GLU 103 Ca 0.56 1.62 0.07 0.00 0.36 0.00 0.00 54.97 57.58 2c1s s GLU 103 Cb -0.28 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 2c1s s GLU 103 CO 0.35 -0.57 -0.05 0.14 -0.54 0.00 0.00 175.26 174.59 2c1s s VAL 104 N 2.84 3.52 0.30 3.70 -7.23 -1.26 -5.03 120.40 117.25 2c1s s VAL 104 Ca 0.54 -1.41 0.24 0.00 -1.81 0.00 0.00 61.98 59.54 2c1s s VAL 104 Cb -0.22 -2.73 0.24 0.00 0.56 0.00 0.00 36.38 34.23 2c1s s VAL 104 CO 0.17 -0.04 1.94 -0.65 -0.31 0.00 0.00 175.10 176.21 2c1s h PRO 105 N 3.03 0.00 -3.60 4.82 0.11 -1.96 -3.46 132.00 130.95 2c1s h PRO 105 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 2c1s h PRO 105 Cb 1.19 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 2c1s h PRO 105 CO 0.56 0.20 -0.12 -1.54 -0.21 0.00 0.00 178.00 176.89 2c1s s SER 106 N -6.27 -0.11 0.19 -2.05 1.04 -1.26 -5.06 113.70 100.18 2c1s s SER 106 Ca -0.02 -0.80 -0.09 0.00 0.48 0.00 0.00 55.95 55.52 2c1s s SER 106 Cb 0.12 0.56 0.10 0.00 0.10 0.00 0.00 66.02 66.90 2c1s s SER 106 CO 0.62 -1.07 1.71 -0.09 0.98 0.00 0.00 173.24 175.39 2c1s h ARG 107 N 2.30 1.09 -0.26 4.02 2.43 -2.03 -1.77 114.38 120.16 2c1s h ARG 107 Ca -0.28 -0.26 0.07 0.00 -0.81 0.00 0.00 59.98 58.71 2c1s h ARG 107 Cb 1.25 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 2c1s h ARG 107 CO 0.38 0.96 0.54 1.57 -1.51 0.00 0.00 179.97 181.92 2c1s h LYS 108 N 1.02 0.00 -0.01 0.20 2.10 -2.00 0.15 116.57 118.03 2c1s h LYS 108 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2c1s h LYS 108 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2c1s h LYS 108 CO 0.00 0.00 -0.13 -0.25 -2.00 0.00 0.00 179.45 177.07 2c1s n ASP 109 N -3.18 1.35 -0.03 7.07 8.00 -0.66 -4.39 116.55 124.71 2c1s n ASP 109 Ca 0.04 -1.24 0.08 0.00 0.71 0.00 0.00 54.79 54.38 2c1s n ASP 109 Cb 0.66 0.08 0.47 0.00 -0.02 0.00 0.00 41.12 42.30 2c1s n ASP 109 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2c1s h THR 110 N 1.92 1.00 -1.03 -3.53 2.02 -1.05 -2.63 112.91 109.60 2c1s h THR 110 Ca 0.00 -0.16 0.26 0.00 0.77 0.00 0.00 66.41 67.28 2c1s h THR 110 Cb 0.53 0.50 -0.09 0.00 -1.74 0.00 0.00 68.15 67.35 2c1s h THR 110 CO 0.00 0.09 0.67 4.11 0.37 0.00 0.00 175.52 180.76 2c1s h TRP 111 N 0.47 0.61 -0.72 3.16 5.08 -1.81 -1.44 115.95 121.31 2c1s h TRP 111 Ca 0.20 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.19 2c1s h TRP 111 Cb 0.22 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 26.20 2c1s h TRP 111 CO -0.00 0.07 0.00 0.36 -1.28 0.00 0.00 178.44 177.59 2c1s n LYS 112 N -4.59 2.75 0.05 0.12 2.85 -0.99 -4.63 118.16 113.72 2c1s n LYS 112 Ca 0.25 -2.61 0.13 0.00 -1.05 0.00 0.00 58.31 55.03 2c1s n LYS 112 Cb 0.88 -1.59 0.39 0.00 -0.65 0.00 0.00 35.03 34.06 2c1s n LYS 112 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2c1s n ALA 113 N 1.57 2.61 -3.96 0.58 0.00 -0.54 -4.83 120.51 115.92 2c1s n ALA 113 Ca 0.24 -0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.25 2c1s n ALA 113 Cb 0.63 -1.36 -0.16 0.00 0.00 0.00 0.00 19.45 18.56 2c1s n ALA 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2c1s s THR 114 N -3.08 1.40 0.14 0.00 2.01 -1.26 -0.42 115.64 114.43 2c1s s THR 114 Ca 0.11 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.41 2c1s s THR 114 Cb 0.15 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 2c1s s THR 114 CO 0.62 0.27 0.30 -0.13 -0.69 0.00 0.00 174.62 174.98 2c1s s ARG 115 N 1.53 3.47 0.08 4.92 0.52 0.09 -4.93 118.95 124.62 2c1s s ARG 115 Ca 0.02 -0.48 0.05 0.00 -0.52 0.00 0.00 55.73 54.80 2c1s s ARG 115 Cb -0.15 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 2c1s s ARG 115 CO -0.09 0.51 -0.14 0.54 0.02 0.00 0.00 175.30 176.14 2c1s s VAL 116 N -1.72 1.17 0.00 3.52 0.11 -1.26 -0.66 120.40 121.55 2c1s s VAL 116 Ca 0.36 -1.37 -0.00 0.00 -2.93 0.00 0.00 61.98 58.03 2c1s s VAL 116 Cb -0.11 -1.16 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 2c1s s VAL 116 CO 0.28 -0.25 0.01 0.61 -3.33 0.00 0.00 175.10 172.43 2c1s n GLY 117 N 1.17 1.25 3.06 6.54 0.00 -0.83 -5.00 105.19 111.38 2c1s n GLY 117 Ca -0.20 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 2c1s n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c1s s THR 118 N -2.54 0.34 0.03 2.61 -4.23 -1.26 -1.24 115.64 109.36 2c1s s THR 118 Ca 0.00 -1.37 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 2c1s s THR 118 Cb -0.00 -0.93 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 2c1s s THR 118 CO 0.00 -0.67 0.01 0.20 -0.54 0.00 0.00 174.62 173.61 2c1s s ASN 119 N -2.16 0.28 -0.11 3.99 0.02 -0.14 -4.97 114.94 111.85 2c1s s ASN 119 Ca -0.04 -0.62 0.02 0.00 -1.02 0.00 0.00 52.86 51.21 2c1s s ASN 119 Cb -0.02 0.16 0.01 0.00 0.02 0.00 0.00 41.25 41.41 2c1s s ASN 119 CO -0.04 -0.43 -0.18 -0.69 0.02 0.00 0.00 177.10 175.78 2c1s s VAL 120 N -2.33 1.72 -0.02 1.60 1.01 -1.26 -1.18 120.40 119.94 2c1s s VAL 120 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2c1s s VAL 120 Cb -0.03 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2c1s s VAL 120 CO -0.04 0.48 0.03 -0.36 0.00 0.00 0.00 175.10 175.21 2c1s s PHE 121 N 0.78 3.16 0.12 5.22 0.08 0.02 -2.97 117.98 124.39 2c1s s PHE 121 Ca -0.10 0.14 0.08 0.00 0.12 0.00 0.00 56.93 57.18 2c1s s PHE 121 Cb -0.16 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 2c1s s PHE 121 CO 0.01 0.49 -0.20 0.95 -0.10 0.00 0.00 175.22 176.37 2c1s s THR 122 N -1.08 1.76 0.06 0.64 -4.23 0.50 -0.20 115.64 113.09 2c1s s THR 122 Ca 0.19 -1.66 -0.31 0.00 -1.18 0.00 0.00 61.69 58.74 2c1s s THR 122 Cb -0.12 -1.65 -0.07 0.00 1.34 0.00 0.00 72.50 72.00 2c1s s THR 122 CO 0.10 -0.13 1.54 -0.60 -0.54 0.00 0.00 174.62 174.99 2c1s s ARG 123 N -2.16 4.24 0.00 3.99 6.06 -1.25 -0.97 118.95 128.85 2c1s s ARG 123 Ca 0.09 2.19 0.26 0.00 -2.50 0.00 0.00 55.73 55.78 2c1s s ARG 123 Cb -0.09 -3.52 0.71 0.00 0.06 0.00 0.00 34.95 32.12 2c1s s ARG 123 CO 0.05 -0.64 1.56 0.28 -2.50 0.00 0.00 175.30 174.04