#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef s SER 2 N 0.00 -0.84 0.11 1.61 0.01 -1.26 -5.18 113.70 108.16 2eef s SER 2 Ca 0.00 1.22 -0.03 0.00 1.31 0.00 0.00 55.95 58.45 2eef s SER 2 Cb 0.00 1.73 -0.03 0.00 0.21 0.00 0.00 66.02 67.93 2eef s SER 2 CO 0.00 -0.18 0.08 -0.44 0.41 0.00 0.00 173.24 173.11 2eef s SER 3 N 2.21 0.30 0.00 2.44 0.01 -1.26 -5.15 113.70 112.25 2eef s SER 3 Ca -0.07 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.12 2eef s SER 3 Cb -0.07 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2eef s SER 3 CO -0.18 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.36 2eef n GLY 4 N -0.06 3.30 3.42 3.44 0.00 -1.26 -5.16 105.19 108.87 2eef n GLY 4 Ca -0.08 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 2eef n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eef s SER 5 N 0.00 0.07 0.14 1.61 0.01 -1.26 -5.17 113.70 109.10 2eef s SER 5 Ca 0.00 -1.16 -0.01 0.00 1.31 0.00 0.00 55.95 56.10 2eef s SER 5 Cb 0.00 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 2eef s SER 5 CO 0.00 -1.02 0.32 -0.44 0.41 0.00 0.00 173.24 172.51 2eef s SER 6 N -3.09 6.39 0.00 2.44 0.01 -1.26 -5.00 113.70 113.20 2eef s SER 6 Ca 0.30 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.92 2eef s SER 6 Cb 0.03 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2eef s SER 6 CO 0.11 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2eef n GLY 7 N -0.23 -0.32 3.37 3.44 0.00 -1.26 -4.77 105.19 105.42 2eef n GLY 7 Ca -0.05 -1.82 -0.46 0.00 0.00 0.00 0.00 46.02 43.69 2eef n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eef s ALA 8 N -1.31 3.80 -1.13 4.61 0.00 -1.26 -4.98 121.76 121.50 2eef s ALA 8 Ca 0.00 -3.02 -0.15 0.00 0.00 0.00 0.00 51.96 48.79 2eef s ALA 8 Cb 0.00 -3.65 0.17 0.00 0.00 0.00 0.00 23.12 19.64 2eef s ALA 8 CO 0.00 -2.46 1.32 -1.21 0.00 0.00 0.00 175.76 173.41 2eef s GLU 9 N 1.18 3.97 -0.11 0.00 2.02 -1.26 -4.99 118.70 119.51 2eef s GLU 9 Ca 0.20 -2.44 -0.29 0.00 0.02 0.00 0.00 54.97 52.46 2eef s GLU 9 Cb -0.11 -4.97 -0.06 0.00 0.10 0.00 0.00 34.13 29.09 2eef s GLU 9 CO -0.07 -1.71 1.84 -1.54 0.02 0.00 0.00 175.26 173.79 2eef s SER 10 N 2.88 6.30 0.44 -0.19 1.04 -1.26 -4.97 113.70 117.94 2eef s SER 10 Ca 0.39 2.12 0.03 0.00 0.48 0.00 0.00 55.95 58.97 2eef s SER 10 Cb -0.04 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 2eef s SER 10 CO -0.03 -1.25 0.11 -1.61 0.98 0.00 0.00 173.24 171.44 2eef s GLU 11 N 4.78 2.03 1.10 4.02 2.02 -1.26 -5.16 118.70 126.23 2eef s GLU 11 Ca 0.82 -2.27 -0.18 0.00 0.02 0.00 0.00 54.97 53.36 2eef s GLU 11 Cb -0.33 -0.77 0.25 0.00 0.10 0.00 0.00 34.13 33.38 2eef s GLU 11 CO 0.34 -0.50 1.23 -1.54 0.02 0.00 0.00 175.26 174.81 2eef s SER 12 N -3.68 1.89 0.23 -0.19 1.04 -1.26 -4.92 113.70 106.80 2eef s SER 12 Ca 0.18 0.38 0.03 0.00 0.48 0.00 0.00 55.95 57.02 2eef s SER 12 Cb 0.01 -0.47 -0.05 0.00 0.10 0.00 0.00 66.02 65.61 2eef s SER 12 CO 0.12 -3.50 0.02 -0.36 0.98 0.00 0.00 173.24 170.49 2eef s PHE 13 N -3.49 1.54 0.19 5.02 0.40 -1.26 -1.96 117.98 118.43 2eef s PHE 13 Ca 0.73 -0.98 -0.02 0.00 -0.60 0.00 0.00 56.93 56.06 2eef s PHE 13 Cb -0.06 -0.90 -0.04 0.00 0.51 0.00 0.00 43.02 42.54 2eef s PHE 13 CO 0.55 -0.11 0.15 0.14 0.70 0.00 0.00 175.22 176.65 2eef s VAL 14 N -3.50 0.01 -0.14 -0.44 -7.23 -0.67 -4.53 120.40 103.91 2eef s VAL 14 Ca 0.30 -1.92 -0.16 0.00 -1.81 0.00 0.00 61.98 58.39 2eef s VAL 14 Cb 0.06 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2eef s VAL 14 CO 0.09 -0.06 0.38 -0.76 -0.31 0.00 0.00 175.10 174.44 2eef s LEU 15 N -3.13 4.26 -0.17 1.32 1.43 -1.26 -2.24 118.68 118.89 2eef s LEU 15 Ca 0.35 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 2eef s LEU 15 Cb 0.06 -2.52 0.21 0.00 0.03 0.00 0.00 46.19 43.97 2eef s LEU 15 CO 0.10 0.05 1.47 -0.67 0.23 0.00 0.00 176.35 177.53 2eef n ASP 16 N 3.64 3.89 -3.73 2.29 2.03 -1.23 -4.80 116.55 118.64 2eef n ASP 16 Ca -0.10 -2.63 -0.13 0.00 0.52 0.00 0.00 54.79 52.46 2eef n ASP 16 Cb 0.52 -0.72 -0.10 0.00 -0.72 0.00 0.00 41.12 40.10 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2eef s PHE 17 N -1.18 -0.45 0.57 -0.67 -0.12 -1.26 -4.96 117.98 109.90 2eef s PHE 17 Ca 0.20 1.10 -0.19 0.00 -0.05 0.00 0.00 56.93 58.00 2eef s PHE 17 Cb 0.17 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.66 2eef s PHE 17 CO 0.03 -0.22 1.13 -1.12 -0.05 0.00 0.00 175.22 174.99 2eef s SER 18 N 0.21 5.58 0.34 1.98 0.01 -1.26 -4.95 113.70 115.60 2eef s SER 18 Ca -0.00 2.17 -0.29 0.00 1.31 0.00 0.00 55.95 59.14 2eef s SER 18 Cb -0.03 -2.58 -0.12 0.00 0.21 0.00 0.00 66.02 63.51 2eef s SER 18 CO 0.01 -1.32 1.45 0.00 0.41 0.00 0.00 173.24 173.79 2eef n GLN 19 N -1.49 2.48 -0.06 12.44 1.13 -1.26 -4.93 117.38 125.68 2eef n GLN 19 Ca 0.12 0.87 -0.13 0.00 -1.94 0.00 0.00 57.00 55.92 2eef n GLN 19 Cb 0.51 -2.57 -0.06 0.00 0.11 0.00 0.00 30.24 28.23 2eef n GLN 19 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2eef h PRO 20 N 3.28 0.44 -1.09 -1.09 0.13 -1.81 -3.15 132.00 128.71 2eef h PRO 20 Ca -0.48 -0.23 0.30 0.00 -0.87 0.00 0.00 66.00 64.72 2eef h PRO 20 Cb 1.25 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 2eef h PRO 20 CO 0.67 0.79 0.69 1.03 -0.23 0.00 0.00 178.00 180.96 2eef h SER 21 N 0.09 0.42 -0.68 1.44 0.87 -1.61 -1.40 113.55 112.69 2eef h SER 21 Ca 0.03 0.10 0.21 0.00 -1.23 0.00 0.00 61.79 60.89 2eef h SER 21 Cb 0.71 0.04 -0.13 0.00 -0.44 0.00 0.00 62.40 62.58 2eef h SER 21 CO 0.04 0.03 0.08 0.00 -0.53 0.00 0.00 176.83 176.45 2eef n ALA 22 N -2.47 0.41 -3.30 6.23 0.00 -1.19 -3.00 120.51 117.19 2eef n ALA 22 Ca 0.28 0.73 -0.45 0.00 0.00 0.00 0.00 53.44 53.99 2eef n ALA 22 Cb 0.97 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 2eef n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2eef s ASP 23 N -4.94 6.13 0.14 0.00 1.11 -0.53 -4.94 116.67 113.64 2eef s ASP 23 Ca -0.08 -1.77 -0.18 0.00 0.18 0.00 0.00 52.55 50.70 2eef s ASP 23 Cb 0.21 -2.18 -0.01 0.00 1.07 0.00 0.00 42.92 42.00 2eef s ASP 23 CO 0.53 -0.82 1.77 0.22 1.18 0.00 0.00 175.17 178.05 2eef h TYR 24 N 8.83 0.26 0.26 4.23 3.20 -1.80 0.74 116.97 132.68 2eef h TYR 24 Ca -0.29 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.58 2eef h TYR 24 Cb 1.10 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2eef h TYR 24 CO 0.71 0.14 -0.13 -0.07 -1.64 0.00 0.00 178.16 177.18 2eef h LEU 25 N 0.29 -0.30 -1.71 2.82 -0.00 -1.92 0.18 115.31 114.67 2eef h LEU 25 Ca 0.11 0.01 0.23 0.00 -0.00 0.00 0.00 57.88 58.23 2eef h LEU 25 Cb 0.03 0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.74 2eef h LEU 25 CO -0.08 -0.14 0.78 -0.78 -0.00 0.00 0.00 178.44 178.23 2eef h ASP 26 N -0.51 0.00 0.00 -0.43 1.82 -1.95 -0.60 116.42 114.75 2eef h ASP 26 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2eef h ASP 26 Cb 0.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.28 2eef h ASP 26 CO 0.06 0.00 -0.08 0.15 -1.61 0.00 0.00 179.24 177.76 2eef h PHE 27 N 0.00 0.00 -1.19 0.28 3.04 -0.76 -3.32 116.94 114.99 2eef h PHE 27 Ca 0.38 0.00 0.34 0.00 3.98 0.00 0.00 57.97 62.67 2eef h PHE 27 Cb 1.94 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 40.38 2eef h PHE 27 CO 0.00 0.00 0.82 0.07 -2.02 0.00 0.00 178.31 177.18 2eef h ARG 28 N -0.91 0.15 -0.66 1.11 0.11 0.31 0.63 114.38 115.13 2eef h ARG 28 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2eef h ARG 28 Cb 0.08 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.10 2eef h ARG 28 CO 0.00 0.10 0.36 -0.91 0.10 0.00 0.00 179.97 179.62 2eef h ASN 29 N 0.15 0.80 0.39 0.08 2.35 -1.27 -0.91 115.58 117.17 2eef h ASN 29 Ca 0.62 -0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 56.11 2eef h ASN 29 Cb 2.11 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 40.27 2eef h ASN 29 CO -0.16 0.65 -0.87 0.03 -1.65 0.00 0.00 177.43 175.42 2eef h ARG 30 N 0.91 0.34 0.00 0.81 2.47 0.16 -0.77 114.38 118.31 2eef h ARG 30 Ca 0.23 -0.35 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 2eef h ARG 30 Cb 0.02 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2eef h ARG 30 CO -0.04 1.03 0.00 -0.11 0.56 0.00 0.00 179.97 181.41 2eef n LEU 31 N -3.74 0.13 -0.05 3.04 7.94 -0.91 0.02 117.00 123.43 2eef n LEU 31 Ca -0.05 0.52 -0.02 0.00 -1.11 0.00 0.00 56.01 55.35 2eef n LEU 31 Cb 0.80 -0.49 -0.12 0.00 0.53 0.00 0.00 43.42 44.14 2eef n LEU 31 CO 0.49 -0.13 -0.88 1.67 -1.11 0.00 0.00 177.39 177.43 2eef n GLN 32 N -1.63 1.20 -0.07 1.96 7.27 -0.40 -2.92 117.38 122.79 2eef n GLN 32 Ca 0.05 -0.06 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 2eef n GLN 32 Cb 0.29 -1.38 -0.15 0.00 2.41 0.00 0.00 30.24 31.41 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2eef n ALA 33 N -2.38 1.43 0.49 1.69 0.00 -0.30 -4.42 120.51 117.01 2eef n ALA 33 Ca -0.17 -1.06 0.05 0.00 0.00 0.00 0.00 53.44 52.26 2eef n ALA 33 Cb 0.79 -0.42 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 2eef n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2eef n ASP 34 N -2.99 0.64 -2.45 0.00 2.03 0.10 -4.99 116.55 108.90 2eef n ASP 34 Ca -0.30 -0.82 -0.21 0.00 0.52 0.00 0.00 54.79 53.98 2eef n ASP 34 Cb 1.09 0.90 -0.00 0.00 -0.72 0.00 0.00 41.12 42.39 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2eef n HIS 35 N -1.06 -1.12 -3.64 -0.67 8.25 -1.09 -4.78 115.22 111.11 2eef n HIS 35 Ca 0.02 0.07 -0.05 0.00 -0.26 0.00 0.00 57.72 57.51 2eef n HIS 35 Cb 0.18 -4.02 -0.07 0.00 1.12 0.00 0.00 29.99 27.19 2eef n HIS 35 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eef s VAL 36 N -3.05 0.00 -0.29 1.59 0.11 -1.24 -3.01 120.40 114.51 2eef s VAL 36 Ca 0.04 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.91 2eef s VAL 36 Cb -0.02 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.97 2eef s VAL 36 CO 0.05 0.00 1.01 0.00 -3.33 0.00 0.00 175.10 172.83 2eef s LEU 38 N 1.02 4.39 -0.05 0.00 2.96 -1.26 -0.78 118.68 124.95 2eef s LEU 38 Ca -0.05 2.24 -0.02 0.00 -0.22 0.00 0.00 54.13 56.07 2eef s LEU 38 Cb -0.04 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 2eef s LEU 38 CO -0.13 -0.55 0.13 -0.08 -1.32 0.00 0.00 176.35 174.40 2eef h GLU 39 N 6.41 -0.07 -3.24 1.98 4.81 -0.87 -3.38 114.58 120.22 2eef h GLU 39 Ca -0.43 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.65 2eef h GLU 39 Cb 1.21 0.02 -0.24 0.00 0.63 0.00 0.00 28.75 30.37 2eef h GLU 39 CO 0.82 -0.05 -0.43 0.54 -0.73 0.00 0.00 179.01 179.16 2eef s ASN 40 N -4.31 -0.17 -0.07 1.04 4.22 -1.23 -2.11 114.94 112.31 2eef s ASN 40 Ca -0.01 0.25 -0.00 0.00 -2.14 0.00 0.00 52.86 50.96 2eef s ASN 40 Cb 0.00 0.39 0.02 0.00 1.28 0.00 0.00 41.25 42.94 2eef s ASN 40 CO 0.03 -0.20 -0.03 0.00 -2.04 0.00 0.00 177.10 174.86 2eef s VAL 42 N 1.50 2.51 -0.12 0.00 -7.23 0.59 -4.98 120.40 112.68 2eef s VAL 42 Ca -0.02 -1.81 -0.00 0.00 -1.81 0.00 0.00 61.98 58.34 2eef s VAL 42 Cb -0.13 -2.92 0.03 0.00 0.56 0.00 0.00 36.38 33.91 2eef s VAL 42 CO -0.03 -0.10 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.36 2eef s LEU 43 N -3.81 1.23 0.56 1.32 0.20 -1.26 -2.42 118.68 114.49 2eef s LEU 43 Ca 0.38 -0.33 0.06 0.00 0.69 0.00 0.00 54.13 54.92 2eef s LEU 43 Cb 0.02 -0.86 0.07 0.00 -0.43 0.00 0.00 46.19 44.99 2eef s LEU 43 CO 0.21 -0.12 0.77 -0.54 -0.29 0.00 0.00 176.35 176.38 2eef s LYS 44 N 1.70 2.34 0.00 1.98 3.01 0.19 -4.88 119.74 124.08 2eef s LYS 44 Ca 0.05 -1.30 0.00 0.00 -1.01 0.00 0.00 55.97 53.70 2eef s LYS 44 Cb -0.13 -2.59 0.00 0.00 -1.01 0.00 0.00 37.83 34.11 2eef s LYS 44 CO -0.08 -0.81 0.62 -0.25 0.51 0.00 0.00 175.35 175.33 2eef n ASP 45 N -2.28 0.00 -2.34 2.83 9.92 -1.26 -2.89 116.55 120.52 2eef n ASP 45 Ca 0.12 0.62 -0.16 0.00 -0.53 0.00 0.00 54.79 54.85 2eef n ASP 45 Cb 0.60 -0.28 0.03 0.00 -0.64 0.00 0.00 41.12 40.83 2eef n ASP 45 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2eef n LYS 46 N -2.38 2.89 -3.79 -1.24 4.76 -1.26 -4.61 118.16 112.53 2eef n LYS 46 Ca 0.00 -3.94 -0.08 0.00 -2.87 0.00 0.00 58.31 51.42 2eef n LYS 46 Cb 0.00 -2.02 0.03 0.00 -1.84 0.00 0.00 35.03 31.20 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2eef n ALA 47 N -0.64 -1.90 -2.84 7.82 0.00 -1.14 -1.61 120.51 120.19 2eef n ALA 47 Ca 0.30 -1.24 -0.10 0.00 0.00 0.00 0.00 53.44 52.40 2eef n ALA 47 Cb 0.89 0.96 -0.07 0.00 0.00 0.00 0.00 19.45 21.22 2eef n ALA 47 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2eef s ILE 48 N -2.09 0.11 -0.09 0.00 -4.36 -0.68 0.53 121.20 114.61 2eef s ILE 48 Ca 0.17 -0.87 -0.06 0.00 -0.26 0.00 0.00 60.65 59.63 2eef s ILE 48 Cb -0.05 -1.06 0.04 0.00 1.25 0.00 0.00 42.46 42.65 2eef s ILE 48 CO 0.11 -0.48 0.23 0.00 0.24 0.00 0.00 174.94 175.04 2eef s ALA 49 N -3.00 -0.53 -0.08 2.27 0.00 -1.02 -2.60 121.76 116.80 2eef s ALA 49 Ca -0.02 0.86 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 2eef s ALA 49 Cb 0.01 -0.53 0.06 0.00 0.00 0.00 0.00 23.12 22.65 2eef s ALA 49 CO -0.06 -0.17 0.58 0.20 0.00 0.00 0.00 175.76 176.31 2eef s GLY 50 N 0.89 -0.45 -0.19 0.00 0.00 -0.52 -0.30 107.32 106.75 2eef s GLY 50 Ca -0.06 1.16 -0.05 0.00 0.00 0.00 0.00 44.72 45.77 2eef s GLY 50 CO -0.06 0.86 -0.01 -0.51 0.00 0.00 0.00 173.10 173.39 2eef s THR 51 N -0.92 3.96 -0.11 0.90 -4.23 -0.78 -0.10 115.64 114.36 2eef s THR 51 Ca -0.09 -0.31 -0.05 0.00 -1.18 0.00 0.00 61.69 60.05 2eef s THR 51 Cb -0.02 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 2eef s THR 51 CO 0.07 0.44 0.09 -0.69 -0.54 0.00 0.00 174.62 173.99 2eef s VAL 52 N 0.87 5.07 -0.03 2.29 1.01 0.17 -0.12 120.40 129.65 2eef s VAL 52 Ca 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 2eef s VAL 52 Cb -0.14 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2eef s VAL 52 CO 0.02 0.60 0.02 -0.75 0.00 0.00 0.00 175.10 174.99 2eef s LYS 53 N -0.89 2.92 0.14 2.72 2.47 0.04 -1.98 119.74 125.16 2eef s LYS 53 Ca 0.14 -0.51 -0.00 0.00 -1.56 0.00 0.00 55.97 54.04 2eef s LYS 53 Cb -0.12 -2.76 -0.04 0.00 -1.46 0.00 0.00 37.83 33.45 2eef s LYS 53 CO 0.03 0.66 0.04 0.14 0.16 0.00 0.00 175.35 176.38 2eef s VAL 54 N -1.04 0.26 -0.06 4.02 -7.23 -1.26 -0.98 120.40 114.12 2eef s VAL 54 Ca 0.18 -1.92 -0.16 0.00 -1.81 0.00 0.00 61.98 58.27 2eef s VAL 54 Cb -0.12 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 2eef s VAL 54 CO 0.08 -0.50 0.43 -1.10 -0.31 0.00 0.00 175.10 173.69 2eef s GLN 55 N -4.01 4.12 -1.31 4.82 -1.52 -1.16 -4.53 119.66 116.07 2eef s GLN 55 Ca 0.23 0.40 -0.17 0.00 -1.95 0.00 0.00 55.36 53.87 2eef s GLN 55 Cb 0.07 -3.32 0.03 0.00 -0.22 0.00 0.00 33.01 29.56 2eef s GLN 55 CO 0.02 0.45 1.96 -1.71 -0.25 0.00 0.00 175.29 175.75 2eef n ASN 56 N 2.68 4.16 -0.10 5.90 5.15 -1.26 -4.63 115.26 127.17 2eef n ASN 56 Ca -0.11 -2.85 -0.19 0.00 -0.60 0.00 0.00 54.58 50.83 2eef n ASN 56 Cb 0.52 -1.66 -0.11 0.00 -0.53 0.00 0.00 39.78 38.00 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2eef h LEU 57 N 12.17 0.00 -9.98 1.20 3.38 -1.94 -3.48 115.31 116.67 2eef h LEU 57 Ca 0.47 -0.55 -0.54 0.00 0.09 0.00 0.00 57.88 57.35 2eef h LEU 57 Cb 0.77 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 2eef h LEU 57 CO 1.64 1.35 -0.46 0.00 0.09 0.00 0.00 178.44 181.06 2eef s ALA 58 N -2.37 3.73 0.04 1.53 0.00 -1.26 -5.05 121.76 118.38 2eef s ALA 58 Ca -0.26 -2.04 -0.28 0.00 0.00 0.00 0.00 51.96 49.39 2eef s ALA 58 Cb 0.04 -0.58 -0.17 0.00 0.00 0.00 0.00 23.12 22.41 2eef s ALA 58 CO 0.57 -0.18 1.41 0.74 0.00 0.00 0.00 175.76 178.30 2eef h PHE 59 N 1.31 -0.55 -3.72 0.00 0.04 -2.00 -3.44 116.94 108.59 2eef h PHE 59 Ca -0.42 -0.01 -0.48 0.00 2.80 0.00 0.00 57.97 59.85 2eef h PHE 59 Cb 1.26 0.18 0.06 0.00 2.20 0.00 0.00 35.95 39.64 2eef h PHE 59 CO 0.59 -0.25 0.19 -1.21 -0.60 0.00 0.00 178.31 177.03 2eef s GLU 60 N -5.29 2.99 -0.12 1.51 0.41 -1.26 -5.11 118.70 111.83 2eef s GLU 60 Ca -0.15 0.07 -0.12 0.00 -0.41 0.00 0.00 54.97 54.35 2eef s GLU 60 Cb 0.03 -2.26 0.03 0.00 -1.78 0.00 0.00 34.13 30.15 2eef s GLU 60 CO 0.57 -0.67 0.34 0.15 -0.49 0.00 0.00 175.26 175.16 2eef s LYS 61 N -5.00 0.40 -0.42 1.61 1.02 -1.26 -4.88 119.74 111.22 2eef s LYS 61 Ca 0.54 0.46 0.03 0.00 0.02 0.00 0.00 55.97 57.01 2eef s LYS 61 Cb -0.11 0.19 0.12 0.00 -0.52 0.00 0.00 37.83 37.52 2eef s LYS 61 CO 0.46 -0.05 0.16 0.99 -0.92 0.00 0.00 175.35 175.99 2eef s THR 62 N 0.15 2.11 -0.25 2.17 2.01 -1.00 -5.04 115.64 115.79 2eef s THR 62 Ca -0.00 -2.64 -0.06 0.00 0.31 0.00 0.00 61.69 59.30 2eef s THR 62 Cb -0.02 -2.51 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 2eef s THR 62 CO 0.01 -0.73 0.04 -0.69 -0.69 0.00 0.00 174.62 172.56 2eef s VAL 63 N 0.45 4.01 -0.05 3.82 1.01 -1.26 -1.33 120.40 127.06 2eef s VAL 63 Ca 0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2eef s VAL 63 Cb -0.22 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.29 2eef s VAL 63 CO -0.06 0.31 0.10 -0.54 0.00 0.00 0.00 175.10 174.91 2eef s LYS 64 N 1.56 0.04 -0.21 2.72 1.02 -1.07 -2.51 119.74 121.30 2eef s LYS 64 Ca 0.06 0.29 -0.17 0.00 0.02 0.00 0.00 55.97 56.17 2eef s LYS 64 Cb -0.15 -0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 36.93 2eef s LYS 64 CO 0.02 -0.16 0.46 0.42 -0.92 0.00 0.00 175.35 175.16 2eef s ILE 65 N 1.08 5.15 -0.22 2.17 -1.09 -0.76 -2.60 121.20 124.93 2eef s ILE 65 Ca -0.09 0.81 -0.03 0.00 -2.23 0.00 0.00 60.65 59.12 2eef s ILE 65 Cb -0.12 -3.78 -0.00 0.00 -1.58 0.00 0.00 42.46 36.98 2eef s ILE 65 CO -0.05 0.20 -0.06 -0.13 -1.23 0.00 0.00 174.94 173.68 2eef s ARG 66 N 1.56 3.31 -0.02 2.79 0.52 -1.12 -2.10 118.95 123.89 2eef s ARG 66 Ca 0.21 -0.66 0.05 0.00 -0.52 0.00 0.00 55.73 54.81 2eef s ARG 66 Cb -0.15 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 2eef s ARG 66 CO 0.09 -0.21 -0.17 1.41 0.02 0.00 0.00 175.30 176.44 2eef s MET 67 N 1.45 1.55 0.27 3.54 -2.45 -1.26 -1.00 119.30 121.40 2eef s MET 67 Ca 0.06 -0.62 0.09 0.00 -1.25 0.00 0.00 55.69 53.97 2eef s MET 67 Cb -0.14 -1.44 -0.04 0.00 1.25 0.00 0.00 34.83 34.46 2eef s MET 67 CO -0.04 0.33 0.00 -0.08 1.05 0.00 0.00 175.02 176.28 2eef s THR 68 N -0.25 3.47 0.00 10.11 -1.32 -0.23 -3.56 115.64 123.85 2eef s THR 68 Ca 0.03 -1.90 0.00 0.00 -1.21 0.00 0.00 61.69 58.61 2eef s THR 68 Cb -0.08 -2.86 0.00 0.00 -1.51 0.00 0.00 72.50 68.05 2eef s THR 68 CO 0.00 -0.37 0.71 0.49 -2.21 0.00 0.00 174.62 173.24 2eef n PHE 69 N -0.90 0.00 -3.46 9.09 3.01 -1.26 -2.96 117.46 120.98 2eef n PHE 69 Ca -0.06 -0.21 -0.27 0.00 1.01 0.00 0.00 57.45 57.92 2eef n PHE 69 Cb 0.59 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 39.94 2eef n PHE 69 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2eef n ASP 70 N -0.21 0.53 -3.74 4.37 5.75 -1.25 -4.67 116.55 117.33 2eef n ASP 70 Ca 0.00 -2.64 -0.22 0.00 -0.01 0.00 0.00 54.79 51.91 2eef n ASP 70 Cb 0.39 -0.61 -0.05 0.00 -1.03 0.00 0.00 41.12 39.82 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2eef n THR 71 N 2.33 -0.87 -3.93 2.12 -1.04 -1.21 0.17 114.28 111.85 2eef n THR 71 Ca 0.27 -0.33 -0.25 0.00 -2.04 0.00 0.00 64.05 61.69 2eef n THR 71 Cb 0.46 -0.82 -0.02 0.00 -1.82 0.00 0.00 70.33 68.14 2eef n THR 71 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2eef n TRP 72 N -3.37 -1.68 -0.07 -1.42 7.02 -1.26 -4.87 117.44 111.78 2eef n TRP 72 Ca -0.18 0.76 -0.05 0.00 -1.02 0.00 0.00 57.50 57.01 2eef n TRP 72 Cb 0.43 -3.81 -0.13 0.00 -2.42 0.00 0.00 31.31 25.37 2eef n TRP 72 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2eef n LYS 73 N -4.39 1.13 -3.48 -0.99 5.02 0.45 -5.00 118.16 110.91 2eef n LYS 73 Ca -0.31 -0.04 0.01 0.00 -2.02 0.00 0.00 58.31 55.95 2eef n LYS 73 Cb 0.68 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 34.21 2eef n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eef s SER 74 N -4.88 -0.40 0.41 4.39 0.15 -1.26 -5.07 113.70 107.03 2eef s SER 74 Ca -0.08 0.59 0.03 0.00 0.70 0.00 0.00 55.95 57.20 2eef s SER 74 Cb 0.06 1.34 -0.03 0.00 -1.71 0.00 0.00 66.02 65.68 2eef s SER 74 CO 0.70 -0.09 0.10 -0.72 1.20 0.00 0.00 173.24 174.43 2eef s TYR 75 N 1.85 1.84 -0.06 3.44 -0.85 -1.26 -4.24 117.35 118.07 2eef s TYR 75 Ca -0.05 -1.17 0.05 0.00 -0.52 0.00 0.00 57.07 55.38 2eef s TYR 75 Cb -0.04 -1.25 -0.01 0.00 0.38 0.00 0.00 41.96 41.04 2eef s TYR 75 CO -0.15 -0.16 -0.22 0.99 -1.52 0.00 0.00 175.55 174.48 2eef s THR 76 N -3.17 1.85 -0.38 -3.49 2.01 -1.23 -4.99 115.64 106.23 2eef s THR 76 Ca 0.24 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 61.01 2eef s THR 76 Cb 0.04 -1.58 0.02 0.00 0.01 0.00 0.00 72.50 70.98 2eef s THR 76 CO 0.13 0.52 1.14 1.51 -0.69 0.00 0.00 174.62 177.23 2eef s ASP 77 N 0.03 6.76 -0.25 3.53 -4.77 -1.26 -4.02 116.67 116.69 2eef s ASP 77 Ca -0.07 0.85 -0.09 0.00 -3.30 0.00 0.00 52.55 49.93 2eef s ASP 77 Cb -0.14 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.10 2eef s ASP 77 CO 0.04 -1.07 0.13 -0.36 0.70 0.00 0.00 175.17 174.61 2eef s PHE 78 N 4.12 3.20 0.21 2.11 0.08 -0.89 -4.99 117.98 121.83 2eef s PHE 78 Ca 0.49 -0.02 -0.30 0.00 0.12 0.00 0.00 56.93 57.21 2eef s PHE 78 Cb -0.11 -2.27 -0.09 0.00 -0.57 0.00 0.00 43.02 39.98 2eef s PHE 78 CO 0.23 -0.12 1.30 -1.25 -0.10 0.00 0.00 175.22 175.28 2eef s PRO 79 N 1.35 4.40 0.48 0.24 0.04 -1.26 -1.83 135.00 138.41 2eef s PRO 79 Ca 0.06 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.15 2eef s PRO 79 Cb -0.15 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2eef s PRO 79 CO 0.06 -0.23 0.71 0.00 0.04 0.00 0.00 177.00 177.58 2eef s GLN 81 N -4.63 2.00 -0.17 0.00 -2.07 -0.53 -4.96 119.66 109.31 2eef s GLN 81 Ca 0.50 -2.19 -0.07 0.00 -1.82 0.00 0.00 55.36 51.78 2eef s GLN 81 Cb -0.10 -1.49 -0.04 0.00 -1.09 0.00 0.00 33.01 30.29 2eef s GLN 81 CO 0.39 -0.18 0.07 -0.47 -1.32 0.00 0.00 175.29 173.78 2eef s TYR 82 N -2.84 3.29 -0.59 9.60 6.14 -1.26 -1.09 117.35 130.60 2eef s TYR 82 Ca 0.26 0.14 -0.19 0.00 0.64 0.00 0.00 57.07 57.92 2eef s TYR 82 Cb 0.07 -2.05 0.10 0.00 0.42 0.00 0.00 41.96 40.50 2eef s TYR 82 CO 0.13 0.25 0.71 0.08 0.64 0.00 0.00 175.55 177.35 2eef s VAL 83 N 0.13 4.81 -0.50 3.14 1.01 -0.82 -4.89 120.40 123.28 2eef s VAL 83 Ca 0.05 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2eef s VAL 83 Cb -0.12 -4.49 0.46 0.00 0.00 0.00 0.00 36.38 32.23 2eef s VAL 83 CO 0.00 -1.13 1.68 2.29 0.00 0.00 0.00 175.10 177.95 2eef n LYS 84 N 6.36 2.97 -2.77 2.72 2.85 -1.26 -4.76 118.16 124.28 2eef n LYS 84 Ca -0.09 -3.61 -0.29 0.00 -1.05 0.00 0.00 58.31 53.27 2eef n LYS 84 Cb 0.43 -2.25 -0.02 0.00 -0.65 0.00 0.00 35.03 32.53 2eef n LYS 84 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2eef s ASP 85 N -2.52 6.42 0.25 -5.58 1.11 -1.26 -4.98 116.67 110.10 2eef s ASP 85 Ca 0.58 1.05 -0.04 0.00 0.18 0.00 0.00 52.55 54.32 2eef s ASP 85 Cb 0.47 -2.29 0.46 0.00 1.07 0.00 0.00 42.92 42.62 2eef s ASP 85 CO 0.01 -0.47 1.73 0.74 1.18 0.00 0.00 175.17 178.37 2eef h THR 86 N 0.75 0.67 -0.73 -1.27 2.02 -2.05 -0.63 112.91 111.67 2eef h THR 86 Ca -0.47 -0.16 0.11 0.00 0.77 0.00 0.00 66.41 66.66 2eef h THR 86 Cb 1.19 0.16 -0.08 0.00 -1.74 0.00 0.00 68.15 67.69 2eef h THR 86 CO 0.63 0.09 0.34 0.22 0.37 0.00 0.00 175.52 177.17 2eef h TYR 87 N 0.47 0.60 -1.62 3.16 3.20 -1.99 -3.38 116.97 117.42 2eef h TYR 87 Ca 0.42 0.03 -0.46 0.00 3.14 0.00 0.00 58.73 61.86 2eef h TYR 87 Cb 0.62 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.74 2eef h TYR 87 CO -0.15 0.18 1.59 0.00 -1.64 0.00 0.00 178.16 178.14 2eef s ALA 88 N -6.04 1.64 -0.21 1.82 0.00 -0.24 -4.73 121.76 113.99 2eef s ALA 88 Ca -0.12 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.82 2eef s ALA 88 Cb 0.19 -4.35 -0.14 0.00 0.00 0.00 0.00 23.12 18.81 2eef s ALA 88 CO 0.76 -4.47 -0.18 0.41 0.00 0.00 0.00 175.76 172.29 2eef n GLY 89 N 6.00 -0.33 3.45 0.00 0.00 -1.26 -4.79 105.19 108.26 2eef n GLY 89 Ca 0.36 -0.15 -0.46 0.00 0.00 0.00 0.00 46.02 45.77 2eef n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eef n SER 90 N -3.10 0.95 -0.27 1.61 7.64 -1.26 -4.75 113.62 114.43 2eef n SER 90 Ca -0.38 0.21 0.02 0.00 1.01 0.00 0.00 58.87 59.73 2eef n SER 90 Cb 0.91 -1.07 0.06 0.00 -1.01 0.00 0.00 64.21 63.11 2eef n SER 90 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2eef n ASP 91 N 10.60 -0.38 -4.18 6.43 9.92 -1.26 -4.50 116.55 133.19 2eef n ASP 91 Ca 0.56 1.27 -0.38 0.00 -0.53 0.00 0.00 54.79 55.72 2eef n ASP 91 Cb 0.12 -0.33 0.03 0.00 -0.64 0.00 0.00 41.12 40.30 2eef n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2eef n ARG 92 N -5.13 0.03 -2.45 -1.24 1.74 -1.26 -4.78 116.66 103.55 2eef n ARG 92 Ca 0.09 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 2eef n ARG 92 Cb 0.33 -1.09 -0.02 0.00 -1.02 0.00 0.00 32.46 30.65 2eef n ARG 92 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2eef s ASP 93 N -1.06 6.26 -0.47 0.55 1.11 -1.26 -4.98 116.67 116.82 2eef s ASP 93 Ca 0.51 0.27 -0.20 0.00 0.18 0.00 0.00 52.55 53.32 2eef s ASP 93 Cb -0.36 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.12 2eef s ASP 93 CO 0.72 -1.61 0.61 -0.89 1.18 0.00 0.00 175.17 175.18 2eef s THR 94 N 5.62 4.87 -0.00 -1.27 2.01 -1.26 -4.06 115.64 121.55 2eef s THR 94 Ca 0.50 -0.25 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 2eef s THR 94 Cb -0.10 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 2eef s THR 94 CO 0.26 -0.69 0.37 -0.36 -0.69 0.00 0.00 174.62 173.51 2eef s PHE 95 N 2.67 3.70 0.12 4.92 0.40 -0.84 -1.94 117.98 127.01 2eef s PHE 95 Ca 0.18 0.92 0.06 0.00 -0.60 0.00 0.00 56.93 57.49 2eef s PHE 95 Cb -0.17 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 2eef s PHE 95 CO 0.15 0.64 -0.04 0.45 0.70 0.00 0.00 175.22 177.12 2eef s SER 96 N -1.15 4.72 -0.02 1.36 0.15 -0.25 0.41 113.70 118.93 2eef s SER 96 Ca 0.24 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.58 2eef s SER 96 Cb -0.16 -1.01 0.01 0.00 -1.71 0.00 0.00 66.02 63.14 2eef s SER 96 CO 0.13 0.15 -0.05 0.72 1.20 0.00 0.00 173.24 175.38 2eef s PHE 97 N -1.42 0.60 -0.33 3.44 -0.12 0.86 -1.45 117.98 119.56 2eef s PHE 97 Ca 0.25 -0.13 -0.01 0.00 -0.05 0.00 0.00 56.93 56.99 2eef s PHE 97 Cb -0.11 -0.45 0.11 0.00 -0.63 0.00 0.00 43.02 41.94 2eef s PHE 97 CO 0.17 -0.07 0.14 0.16 -0.05 0.00 0.00 175.22 175.57 2eef s ASP 98 N 0.23 3.74 0.09 1.98 -4.77 -1.26 -1.44 116.67 115.23 2eef s ASP 98 Ca -0.03 -1.73 -0.06 0.00 -3.30 0.00 0.00 52.55 47.43 2eef s ASP 98 Cb -0.07 -0.70 -0.05 0.00 -1.09 0.00 0.00 42.92 41.01 2eef s ASP 98 CO -0.00 -0.39 0.33 -0.63 0.70 0.00 0.00 175.17 175.18 2eef s ILE 99 N 1.52 5.22 -0.32 2.11 1.01 -1.07 -4.95 121.20 124.72 2eef s ILE 99 Ca 0.11 0.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 2eef s ILE 99 Cb -0.18 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 2eef s ILE 99 CO -0.22 0.18 0.29 -0.94 0.00 0.00 0.00 174.94 174.25 2eef s SER 100 N -2.13 6.11 0.74 3.58 1.04 -1.26 -1.69 113.70 120.09 2eef s SER 100 Ca 0.35 -0.22 -0.15 0.00 0.48 0.00 0.00 55.95 56.41 2eef s SER 100 Cb -0.13 -2.16 0.02 0.00 0.10 0.00 0.00 66.02 63.85 2eef s SER 100 CO 0.22 -0.23 1.01 0.18 0.98 0.00 0.00 173.24 175.39 2eef n LEU 101 N 5.21 3.66 -4.75 2.42 4.77 -0.63 -4.96 117.00 122.71 2eef n LEU 101 Ca -0.11 0.65 -0.30 0.00 -0.03 0.00 0.00 56.01 56.21 2eef n LEU 101 Cb 0.50 -1.43 0.11 0.00 -2.33 0.00 0.00 43.42 40.28 2eef n LEU 101 CO 0.37 -1.99 0.69 -2.16 -1.33 0.00 0.00 177.39 172.97 2eef s PRO 102 N -3.50 1.83 0.24 3.23 0.04 -1.26 -4.87 135.00 130.72 2eef s PRO 102 Ca 0.73 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.87 2eef s PRO 102 Cb -0.33 -1.86 0.73 0.00 0.04 0.00 0.00 34.50 33.08 2eef s PRO 102 CO 0.51 -1.90 1.12 -0.85 0.04 0.00 0.00 177.00 175.91 2eef n GLU 103 N -3.68 -0.05 -3.83 4.56 0.28 -1.26 -4.64 120.64 112.03 2eef n GLU 103 Ca 0.08 1.02 -0.08 0.00 -0.16 0.00 0.00 57.16 58.03 2eef n GLU 103 Cb 0.54 -1.72 0.01 0.00 1.43 0.00 0.00 31.44 31.70 2eef n GLU 103 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2eef s LYS 104 N -5.37 1.99 -0.14 3.44 -2.85 -1.26 -5.15 119.74 110.40 2eef s LYS 104 Ca -0.08 -1.22 -0.11 0.00 -1.00 0.00 0.00 55.97 53.56 2eef s LYS 104 Cb 0.22 0.60 0.04 0.00 -2.06 0.00 0.00 37.83 36.64 2eef s LYS 104 CO 0.55 -0.93 0.37 0.42 0.10 0.00 0.00 175.35 175.87 2eef s ILE 105 N -2.92 -0.01 0.11 3.79 1.01 -1.26 -5.16 121.20 116.75 2eef s ILE 105 Ca 0.14 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.84 2eef s ILE 105 Cb -0.05 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2eef s ILE 105 CO 0.09 0.02 -0.02 -1.10 0.00 0.00 0.00 174.94 173.93 2eef s GLN 106 N 0.66 0.87 -0.40 2.79 -1.52 -1.26 -5.03 119.66 115.77 2eef s GLN 106 Ca -0.04 -1.38 -0.06 0.00 -1.95 0.00 0.00 55.36 51.94 2eef s GLN 106 Cb -0.05 -0.04 -0.17 0.00 -0.22 0.00 0.00 33.01 32.53 2eef s GLN 106 CO -0.04 -0.11 2.87 0.43 -0.25 0.00 0.00 175.29 178.18 2eef n SER 107 N -0.07 5.05 -0.07 5.90 7.64 -1.26 -3.86 113.62 126.95 2eef n SER 107 Ca -0.10 -2.34 -0.10 0.00 1.01 0.00 0.00 58.87 57.34 2eef n SER 107 Cb 0.62 -1.20 -0.07 0.00 -1.01 0.00 0.00 64.21 62.55 2eef n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eef n TYR 108 N 2.99 0.00 -4.20 1.43 4.11 -1.26 -5.04 117.16 115.18 2eef n TYR 108 Ca 0.43 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 58.18 2eef n TYR 108 Cb 0.57 -0.58 -0.11 0.00 -0.00 0.00 0.00 39.34 39.22 2eef n TYR 108 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 2eef s GLU 109 N -2.30 0.92 0.54 -3.48 2.56 -1.25 -5.10 118.70 110.59 2eef s GLU 109 Ca -0.20 -1.20 -0.19 0.00 0.00 0.00 0.00 54.97 53.38 2eef s GLU 109 Cb 0.05 -0.65 -0.06 0.00 2.00 0.00 0.00 34.13 35.47 2eef s GLU 109 CO 0.35 0.11 1.10 0.50 -0.56 0.00 0.00 175.26 176.76 2eef s ARG 110 N -2.83 3.40 -0.16 4.30 6.06 -1.26 -4.91 118.95 123.56 2eef s ARG 110 Ca 0.07 1.51 -0.04 0.00 -2.50 0.00 0.00 55.73 54.77 2eef s ARG 110 Cb -0.03 -2.02 0.08 0.00 0.06 0.00 0.00 34.95 33.03 2eef s ARG 110 CO 0.01 -0.79 0.23 1.41 -2.50 0.00 0.00 175.30 173.66 2eef s MET 111 N -3.40 0.15 0.22 5.12 -2.45 -1.26 -3.33 119.30 114.35 2eef s MET 111 Ca 0.70 0.47 -0.10 0.00 -1.25 0.00 0.00 55.69 55.52 2eef s MET 111 Cb -0.21 -0.61 -0.01 0.00 1.25 0.00 0.00 34.83 35.25 2eef s MET 111 CO 0.27 -0.46 0.37 -1.21 1.05 0.00 0.00 175.02 175.04 2eef s GLU 112 N 2.36 1.39 0.07 4.11 2.02 -1.15 -3.36 118.70 124.14 2eef s GLU 112 Ca 0.04 -1.31 -0.01 0.00 0.02 0.00 0.00 54.97 53.72 2eef s GLU 112 Cb -0.14 0.41 -0.04 0.00 0.10 0.00 0.00 34.13 34.46 2eef s GLU 112 CO -0.10 -0.55 -0.02 -0.59 0.02 0.00 0.00 175.26 174.02 2eef s PHE 113 N -4.03 0.63 -0.03 1.61 -0.12 -1.24 -1.07 117.98 113.72 2eef s PHE 113 Ca 0.25 -1.07 -0.02 0.00 -0.05 0.00 0.00 56.93 56.04 2eef s PHE 113 Cb 0.02 -0.43 0.01 0.00 -0.63 0.00 0.00 43.02 42.00 2eef s PHE 113 CO 0.08 -0.36 0.08 0.00 -0.05 0.00 0.00 175.22 174.97 2eef s ALA 114 N -3.89 -0.17 0.16 1.99 0.00 -0.17 -3.94 121.76 115.74 2eef s ALA 114 Ca 0.10 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 2eef s ALA 114 Cb 0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 2eef s ALA 114 CO -0.08 -0.06 1.06 0.08 0.00 0.00 0.00 175.76 176.76 2eef s VAL 115 N 0.32 4.05 -0.34 0.00 1.01 -1.13 -2.78 120.40 121.52 2eef s VAL 115 Ca -0.02 1.75 0.02 0.00 0.00 0.00 0.00 61.98 63.73 2eef s VAL 115 Cb -0.03 -4.12 0.10 0.00 0.00 0.00 0.00 36.38 32.33 2eef s VAL 115 CO -0.01 0.29 0.09 -0.47 0.00 0.00 0.00 175.10 175.00 2eef s TYR 116 N -0.18 2.78 -0.38 5.22 5.04 -1.07 -2.56 117.35 126.19 2eef s TYR 116 Ca 0.49 -2.44 -0.09 0.00 -2.44 0.00 0.00 57.07 52.58 2eef s TYR 116 Cb -0.28 -2.36 0.05 0.00 0.35 0.00 0.00 41.96 39.73 2eef s TYR 116 CO 0.33 -0.90 0.20 -0.47 -1.34 0.00 0.00 175.55 173.37 2eef s TYR 117 N 1.14 3.28 -0.14 4.97 5.04 -1.02 -2.59 117.35 128.04 2eef s TYR 117 Ca 0.11 -1.29 -0.11 0.00 -2.44 0.00 0.00 57.07 53.34 2eef s TYR 117 Cb -0.19 -2.60 -0.05 0.00 0.35 0.00 0.00 41.96 39.48 2eef s TYR 117 CO -0.15 -0.75 0.22 -2.00 -1.34 0.00 0.00 175.55 171.53 2eef s GLU 118 N 1.47 3.95 -0.22 4.97 -6.30 -0.44 -2.15 118.70 119.98 2eef s GLU 118 Ca 0.01 -0.02 -0.31 0.00 -2.50 0.00 0.00 54.97 52.15 2eef s GLU 118 Cb -0.21 -3.33 0.16 0.00 0.00 0.00 0.00 34.13 30.75 2eef s GLU 118 CO 0.04 0.48 1.21 0.00 0.02 0.00 0.00 175.26 177.01 2eef n ASN 120 N 0.35 -2.63 -3.30 0.00 3.02 -1.26 -0.26 115.26 111.18 2eef n ASN 120 Ca -0.03 -0.95 -0.24 0.00 -0.03 0.00 0.00 54.58 53.33 2eef n ASN 120 Cb 0.58 -3.15 0.02 0.00 -0.61 0.00 0.00 39.78 36.63 2eef n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eef n GLY 121 N -1.65 -0.51 3.28 7.41 0.00 -1.26 -4.97 105.19 107.50 2eef n GLY 121 Ca -0.07 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 2eef n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eef s GLN 122 N -5.98 1.26 -0.17 1.61 -1.52 0.64 -5.15 119.66 110.36 2eef s GLN 122 Ca 0.40 -1.65 -0.04 0.00 -1.95 0.00 0.00 55.36 52.13 2eef s GLN 122 Cb -0.20 -0.28 0.06 0.00 -0.22 0.00 0.00 33.01 32.37 2eef s GLN 122 CO 0.50 -0.21 0.06 0.99 -0.25 0.00 0.00 175.29 176.38 2eef s THR 123 N -3.70 0.24 -0.16 -0.19 2.01 -1.26 -2.25 115.64 110.33 2eef s THR 123 Ca 0.31 -0.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 2eef s THR 123 Cb 0.07 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 2eef s THR 123 CO 0.09 -0.19 0.14 -0.31 -0.69 0.00 0.00 174.62 173.66 2eef s TYR 124 N 1.99 3.50 -0.12 4.92 2.02 -0.91 -4.99 117.35 123.76 2eef s TYR 124 Ca 0.01 0.43 0.03 0.00 -0.37 0.00 0.00 57.07 57.17 2eef s TYR 124 Cb -0.16 -2.06 0.01 0.00 -0.40 0.00 0.00 41.96 39.34 2eef s TYR 124 CO -0.08 0.50 -0.23 -1.58 -1.57 0.00 0.00 175.55 172.59 2eef s TRP 125 N -0.28 2.61 -0.36 2.71 0.52 -1.26 -2.43 118.94 120.44 2eef s TRP 125 Ca 0.11 -1.21 0.02 0.00 0.02 0.00 0.00 56.10 55.04 2eef s TRP 125 Cb -0.12 -1.76 0.10 0.00 -1.15 0.00 0.00 33.47 30.55 2eef s TRP 125 CO 0.01 -0.53 0.10 0.34 0.02 0.00 0.00 176.95 176.89 2eef s ASP 126 N 0.61 4.91 -0.39 2.95 2.15 -1.06 -4.98 116.67 120.86 2eef s ASP 126 Ca -0.12 -2.13 -0.02 0.00 0.43 0.00 0.00 52.55 50.71 2eef s ASP 126 Cb -0.17 -1.69 0.10 0.00 -0.30 0.00 0.00 42.92 40.87 2eef s ASP 126 CO 0.03 -0.43 0.17 -0.94 -0.17 0.00 0.00 175.17 173.83 2eef s SER 127 N 1.17 5.17 -0.63 -0.34 1.04 -1.26 -2.84 113.70 116.00 2eef s SER 127 Ca 0.10 -1.95 -0.06 0.00 0.48 0.00 0.00 55.95 54.52 2eef s SER 127 Cb -0.20 -1.80 0.06 0.00 0.10 0.00 0.00 66.02 64.18 2eef s SER 127 CO -0.07 -0.50 0.14 -0.46 0.98 0.00 0.00 173.24 173.34 2eef n ASN 128 N 4.57 -0.32 -3.87 7.02 6.94 -1.26 0.68 115.26 129.02 2eef n ASN 128 Ca -0.03 -0.45 -0.26 0.00 -0.02 0.00 0.00 54.58 53.82 2eef n ASN 128 Cb 0.42 -0.57 -0.05 0.00 -2.36 0.00 0.00 39.78 37.22 2eef n ASN 128 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2eef n ARG 129 N -1.94 -0.81 0.00 -3.83 1.74 -1.26 -4.22 116.66 106.33 2eef n ARG 129 Ca -0.01 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2eef n ARG 129 Cb 0.19 -2.31 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2eef n GLY 130 N -2.06 -1.82 0.26 -0.13 0.00 0.21 -5.04 105.19 96.62 2eef n GLY 130 Ca -0.20 0.67 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 2eef n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eef n LYS 131 N 0.00 0.04 -3.61 1.61 4.76 -1.23 -4.93 118.16 114.80 2eef n LYS 131 Ca 0.00 0.02 -0.05 0.00 -2.87 0.00 0.00 58.31 55.41 2eef n LYS 131 Cb 0.00 -0.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.69 2eef n LYS 131 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2eef s ASN 132 N -4.44 -0.15 -0.29 4.39 2.20 -1.25 -4.72 114.94 110.68 2eef s ASN 132 Ca -0.02 0.10 -0.29 0.00 -0.94 0.00 0.00 52.86 51.71 2eef s ASN 132 Cb 0.00 0.14 -0.01 0.00 -2.00 0.00 0.00 41.25 39.38 2eef s ASN 132 CO 0.04 -0.18 1.49 -0.31 -2.94 0.00 0.00 177.10 175.19 2eef s TYR 133 N -1.61 2.33 0.03 1.54 2.02 -1.25 -4.61 117.35 115.80 2eef s TYR 133 Ca 0.07 0.68 -0.19 0.00 -0.37 0.00 0.00 57.07 57.27 2eef s TYR 133 Cb -0.01 -4.03 -0.06 0.00 -0.40 0.00 0.00 41.96 37.46 2eef s TYR 133 CO -0.05 -2.35 0.54 -0.98 -1.57 0.00 0.00 175.55 171.14 2eef s ARG 134 N 4.63 4.18 -0.25 -0.62 1.70 -1.26 -3.72 118.95 123.61 2eef s ARG 134 Ca 0.65 0.66 0.00 0.00 -0.47 0.00 0.00 55.73 56.57 2eef s ARG 134 Cb -0.20 -3.27 0.04 0.00 -0.57 0.00 0.00 34.95 30.95 2eef s ARG 134 CO 0.28 0.57 -0.09 0.42 -1.08 0.00 0.00 175.30 175.40 2eef s ILE 135 N -0.83 2.54 0.55 4.99 1.01 -1.21 -3.51 121.20 124.74 2eef s ILE 135 Ca 0.28 -1.23 0.08 0.00 0.00 0.00 0.00 60.65 59.78 2eef s ILE 135 Cb -0.18 -2.33 0.08 0.00 0.01 0.00 0.00 42.46 40.03 2eef s ILE 135 CO 0.17 0.16 0.66 2.30 0.00 0.00 0.00 174.94 178.23 2eef n ILE 136 N 4.59 0.00 -2.56 2.92 -5.35 -0.95 -4.87 119.36 113.14 2eef n ILE 136 Ca -0.16 -1.94 -0.26 0.00 -0.27 0.00 0.00 62.75 60.12 2eef n ILE 136 Cb 0.46 -0.39 0.02 0.00 -1.74 0.00 0.00 39.64 37.99 2eef n ILE 136 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2eef s ARG 137 N -4.43 3.10 0.21 6.28 3.52 -1.26 -1.67 118.95 124.70 2eef s ARG 137 Ca 0.50 -0.04 -0.08 0.00 -0.13 0.00 0.00 55.73 55.99 2eef s ARG 137 Cb -0.04 -2.35 0.14 0.00 -1.56 0.00 0.00 34.95 31.14 2eef s ARG 137 CO 0.32 -0.50 1.71 0.00 -0.81 0.00 0.00 175.30 176.03 2eef h ALA 138 N 0.03 0.96 -0.67 6.12 0.00 -1.63 -2.53 119.26 121.54 2eef h ALA 138 Ca -0.46 -0.26 0.19 0.00 0.00 0.00 0.00 54.91 54.39 2eef h ALA 138 Cb 1.24 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2eef h ALA 138 CO 0.60 0.66 0.76 1.05 0.00 0.00 0.00 179.25 182.32 2eef h GLU 139 N 1.03 0.00 -5.98 0.00 4.11 -1.95 -3.38 114.58 108.42 2eef h GLU 139 Ca 0.21 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.96 2eef h GLU 139 Cb 0.41 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.41 2eef h GLU 139 CO 0.01 0.00 -0.77 -0.51 0.07 0.00 0.00 179.01 177.81 2eef s LEU 140 N -7.01 2.73 -0.29 3.06 1.43 -0.95 -5.10 118.68 112.54 2eef s LEU 140 Ca -0.04 -0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 52.57 2eef s LEU 140 Cb 0.15 -1.57 0.16 0.00 0.03 0.00 0.00 46.19 44.96 2eef s LEU 140 CO 0.51 0.28 1.27 -0.75 0.23 0.00 0.00 176.35 177.90 2eef s LYS 141 N -0.36 0.25 -0.08 1.70 2.47 -1.26 -4.67 119.74 117.79 2eef s LYS 141 Ca 0.04 0.30 -0.28 0.00 -1.56 0.00 0.00 55.97 54.47 2eef s LYS 141 Cb -0.12 0.12 -0.02 0.00 -1.46 0.00 0.00 37.83 36.34 2eef s LYS 141 CO 0.02 -0.03 0.91 0.45 0.16 0.00 0.00 175.35 176.86 2eef s SER 142 N 0.12 7.18 -0.01 1.43 0.15 -1.26 -5.04 113.70 116.27 2eef s SER 142 Ca 0.06 1.44 -0.11 0.00 0.70 0.00 0.00 55.95 58.04 2eef s SER 142 Cb -0.05 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2eef s SER 142 CO -0.12 -0.31 0.23 0.28 1.20 0.00 0.00 173.24 174.52 2eef s THR 143 N 1.48 0.07 -0.03 6.45 -1.32 -1.26 -5.17 115.64 115.85 2eef s THR 143 Ca 0.46 -0.55 -0.29 0.00 -1.21 0.00 0.00 61.69 60.10 2eef s THR 143 Cb -0.19 -0.52 0.09 0.00 -1.51 0.00 0.00 72.50 70.38 2eef s THR 143 CO 0.20 -0.30 0.78 0.00 -2.21 0.00 0.00 174.62 173.09 2eef s GLN 144 N -1.27 0.94 -0.35 7.08 -2.07 -1.26 -5.09 119.66 117.64 2eef s GLN 144 Ca -0.13 0.00 0.15 0.00 -1.82 0.00 0.00 55.36 53.56 2eef s GLN 144 Cb -0.06 0.44 0.42 0.00 -1.09 0.00 0.00 33.01 32.72 2eef s GLN 144 CO 0.03 -0.34 1.00 0.41 -1.32 0.00 0.00 175.29 175.07 2eef n GLY 145 N 0.43 1.76 3.39 2.60 0.00 -1.26 -5.10 105.19 107.01 2eef n GLY 145 Ca -0.15 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 2eef n GLY 145 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2eef s MET 146 N -2.27 3.12 0.03 1.61 -1.94 -1.26 -5.07 119.30 113.53 2eef s MET 146 Ca 0.28 -0.70 -0.35 0.00 -1.71 0.00 0.00 55.69 53.21 2eef s MET 146 Cb 0.42 -2.54 -0.18 0.00 2.01 0.00 0.00 34.83 34.54 2eef s MET 146 CO -0.01 0.32 0.90 0.25 -0.01 0.00 0.00 175.02 176.48 2eef n THR 147 N 3.19 0.33 -2.24 2.05 -2.24 -1.26 -4.85 114.28 109.26 2eef n THR 147 Ca -0.18 -0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.13 2eef n THR 147 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 2eef n THR 147 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2eef s LYS 148 N -0.16 4.05 -0.33 -0.78 0.00 -1.26 -4.94 119.74 116.31 2eef s LYS 148 Ca 0.80 1.92 -0.29 0.00 0.00 0.00 0.00 55.97 58.40 2eef s LYS 148 Cb -1.12 -2.71 -0.01 0.00 0.00 0.00 0.00 37.83 33.99 2eef s LYS 148 CO 0.53 -0.35 1.69 -1.25 0.00 0.00 0.00 175.35 175.96 2eef s PRO 149 N -2.26 3.45 -0.73 1.78 0.04 -1.26 -4.91 135.00 131.11 2eef s PRO 149 Ca 0.57 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 2eef s PRO 149 Cb -0.33 -4.14 -0.08 0.00 0.04 0.00 0.00 34.50 30.00 2eef s PRO 149 CO 0.41 -1.72 2.18 -1.58 0.04 0.00 0.00 177.00 176.33 2eef s HIS 150 N 6.33 1.41 0.23 0.56 2.46 -1.26 -4.93 115.29 120.08 2eef s HIS 150 Ca 0.75 1.30 0.06 0.00 0.47 0.00 0.00 55.06 57.63 2eef s HIS 150 Cb -0.21 -3.76 -0.03 0.00 -0.13 0.00 0.00 32.58 28.45 2eef s HIS 150 CO 0.33 -1.94 0.27 0.45 -2.47 0.00 0.00 174.74 171.38 2eef s SER 151 N 9.84 5.94 -0.43 9.88 0.15 -1.26 -5.10 113.70 132.73 2eef s SER 151 Ca 0.83 -0.06 0.05 0.00 0.70 0.00 0.00 55.95 57.47 2eef s SER 151 Cb -0.12 -1.65 0.17 0.00 -1.71 0.00 0.00 66.02 62.71 2eef s SER 151 CO 0.11 -0.03 0.53 -0.83 1.20 0.00 0.00 173.24 174.22 2eef s GLY 152 N -3.78 -0.46 1.05 9.45 0.00 -1.26 -5.15 107.32 107.17 2eef s GLY 152 Ca 0.33 -0.80 -0.14 0.00 0.00 0.00 0.00 44.72 44.11 2eef s GLY 152 CO 0.27 3.11 1.10 2.56 0.00 0.00 0.00 173.10 180.13 2eef s PRO 153 N 1.13 -0.01 0.50 2.90 0.04 -1.26 -5.09 135.00 133.21 2eef s PRO 153 Ca 0.23 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.65 2eef s PRO 153 Cb -0.05 -1.70 -0.00 0.00 0.04 0.00 0.00 34.50 32.79 2eef s PRO 153 CO -0.07 -3.00 0.02 -0.40 0.04 0.00 0.00 177.00 173.59 2eef n ASP 154 N -4.33 3.15 -4.80 6.66 5.68 -1.26 -5.13 116.55 116.51 2eef n ASP 154 Ca 0.07 -3.23 -0.34 0.00 -0.50 0.00 0.00 54.79 50.78 2eef n ASP 154 Cb 0.58 0.44 -0.04 0.00 -1.14 0.00 0.00 41.12 40.96 2eef n ASP 154 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2eef s LEU 155 N 0.00 3.90 0.00 -2.12 1.43 -1.26 -5.37 118.68 115.27 2eef s LEU 155 Ca 0.03 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 2eef s LEU 155 Cb 0.00 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.72 2eef s LEU 155 CO 0.02 -0.68 0.00 0.61 0.23 0.00 0.00 176.35 176.53