#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 3.52 -0.30 1.61 0.15 -1.26 -5.10 113.70 112.32 2eef s SER 2 Ca 0.00 -0.40 -0.11 0.00 0.70 0.00 0.00 55.95 56.15 2eef s SER 2 Cb 0.00 -1.04 0.16 0.00 -1.71 0.00 0.00 66.02 63.43 2eef s SER 2 CO 0.00 0.25 0.85 -0.94 1.20 0.00 0.00 173.24 174.59 2eef s SER 3 N -0.16 -0.84 0.00 5.45 1.04 -1.26 -5.18 113.70 112.75 2eef s SER 3 Ca -0.02 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.33 2eef s SER 3 Cb -0.14 1.86 0.00 0.00 0.10 0.00 0.00 66.02 67.85 2eef s SER 3 CO 0.04 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2eef n GLY 4 N 5.25 5.43 3.61 7.32 0.00 -1.26 -5.16 105.19 120.38 2eef n GLY 4 Ca -0.08 -1.95 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 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 0.46 3.90 -0.12 1.61 0.01 -1.26 -5.07 113.70 113.23 2eef s SER 5 Ca 0.00 -1.28 -0.23 0.00 1.31 0.00 0.00 55.95 55.75 2eef s SER 5 Cb 0.00 -0.40 -0.27 0.00 0.21 0.00 0.00 66.02 65.56 2eef s SER 5 CO 0.00 -0.38 0.66 0.77 0.41 0.00 0.00 173.24 174.70 2eef h SER 6 N 1.81 0.22 -4.40 2.44 4.64 -2.07 -3.47 113.55 112.72 2eef h SER 6 Ca -0.43 -0.87 -0.25 0.00 -0.47 0.00 0.00 61.79 59.76 2eef h SER 6 Cb 1.24 -0.07 -0.24 0.00 -0.31 0.00 0.00 62.40 63.02 2eef h SER 6 CO 0.77 1.34 -0.73 -0.83 -0.87 0.00 0.00 176.83 176.51 2eef s GLY 7 N -4.56 0.28 -0.56 -0.77 0.00 -1.26 -5.11 107.32 95.33 2eef s GLY 7 Ca -0.19 -0.43 -0.21 0.00 0.00 0.00 0.00 44.72 43.89 2eef s GLY 7 CO 0.73 -0.46 0.78 0.00 0.00 0.00 0.00 173.10 174.15 2eef s ALA 8 N -0.81 3.29 -0.49 3.20 0.00 -1.26 -4.99 121.76 120.69 2eef s ALA 8 Ca -0.06 -1.75 -0.00 0.00 0.00 0.00 0.00 51.96 50.15 2eef s ALA 8 Cb -0.06 -3.57 0.13 0.00 0.00 0.00 0.00 23.12 19.62 2eef s ALA 8 CO -0.00 -2.31 0.27 -1.21 0.00 0.00 0.00 175.76 172.51 2eef s GLU 9 N 3.21 2.09 -0.60 0.00 8.01 -1.26 -5.06 118.70 125.09 2eef s GLU 9 Ca 0.19 -2.25 -0.24 0.00 0.01 0.00 0.00 54.97 52.69 2eef s GLU 9 Cb -0.18 -3.51 0.05 0.00 -4.31 0.00 0.00 34.13 26.18 2eef s GLU 9 CO 0.12 -1.09 0.97 -1.54 0.01 0.00 0.00 175.26 173.73 2eef s SER 10 N 0.82 6.27 0.70 -0.19 1.04 -1.26 -5.03 113.70 116.04 2eef s SER 10 Ca 0.14 -0.59 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 2eef s SER 10 Cb -0.22 -2.44 0.11 0.00 0.10 0.00 0.00 66.02 63.58 2eef s SER 10 CO -0.04 -1.34 0.96 -1.61 0.98 0.00 0.00 173.24 172.20 2eef s GLU 11 N 4.09 1.82 0.45 4.02 0.41 -1.26 -5.12 118.70 123.11 2eef s GLU 11 Ca 0.28 -1.03 0.07 0.00 -0.41 0.00 0.00 54.97 53.88 2eef s GLU 11 Cb -0.14 -2.34 0.02 0.00 -1.78 0.00 0.00 34.13 29.89 2eef s GLU 11 CO 0.16 -1.34 0.62 -1.12 -0.49 0.00 0.00 175.26 173.08 2eef s SER 12 N -4.68 5.55 0.28 -0.19 0.01 -1.26 -4.96 113.70 108.45 2eef s SER 12 Ca 0.65 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 57.54 2eef s SER 12 Cb -0.06 -0.62 -0.06 0.00 0.21 0.00 0.00 66.02 65.50 2eef s SER 12 CO 0.43 -0.87 0.07 -0.36 0.41 0.00 0.00 173.24 172.93 2eef s PHE 13 N -2.44 1.72 0.34 2.43 0.40 -1.26 -1.10 117.98 118.07 2eef s PHE 13 Ca 0.56 -1.06 -0.03 0.00 -0.60 0.00 0.00 56.93 55.80 2eef s PHE 13 Cb -0.10 -1.07 0.01 0.00 0.51 0.00 0.00 43.02 42.38 2eef s PHE 13 CO 0.34 -0.16 0.48 1.33 0.70 0.00 0.00 175.22 177.91 2eef n VAL 14 N -0.56 0.00 -4.50 -0.44 0.24 -0.10 -4.44 118.33 108.54 2eef n VAL 14 Ca -0.01 -1.65 -0.34 0.00 -2.04 0.00 0.00 64.34 60.30 2eef n VAL 14 Cb 0.66 1.04 -0.12 0.00 -1.47 0.00 0.00 33.84 33.95 2eef n VAL 14 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2eef s LEU 15 N 0.00 3.23 -0.29 1.34 1.43 -1.26 -2.54 118.68 120.59 2eef s LEU 15 Ca 0.27 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 2eef s LEU 15 Cb -0.01 -1.74 0.47 0.00 0.03 0.00 0.00 46.19 44.93 2eef s LEU 15 CO 0.19 0.26 1.60 -0.67 0.23 0.00 0.00 176.35 177.96 2eef n ASP 16 N 2.90 3.59 -3.77 2.29 2.03 -1.21 -4.86 116.55 117.51 2eef n ASP 16 Ca -0.18 -3.05 -0.13 0.00 0.52 0.00 0.00 54.79 51.96 2eef n ASP 16 Cb 0.53 -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 -2.24 -0.28 0.43 -0.67 -0.12 -1.26 -4.98 117.98 108.86 2eef s PHE 17 Ca 0.39 0.64 -0.22 0.00 -0.05 0.00 0.00 56.93 57.69 2eef s PHE 17 Cb 0.32 0.10 -0.09 0.00 -0.63 0.00 0.00 43.02 42.72 2eef s PHE 17 CO 0.08 -0.22 1.02 -1.12 -0.05 0.00 0.00 175.22 174.93 2eef s SER 18 N -0.24 6.69 0.33 1.98 0.01 -1.26 -4.98 113.70 116.23 2eef s SER 18 Ca -0.04 1.92 -0.28 0.00 1.31 0.00 0.00 55.95 58.86 2eef s SER 18 Cb -0.03 -2.57 -0.13 0.00 0.21 0.00 0.00 66.02 63.51 2eef s SER 18 CO 0.01 -0.54 1.25 0.00 0.41 0.00 0.00 173.24 174.37 2eef n GLN 19 N -0.45 2.01 -0.04 12.44 1.13 -1.26 -4.93 117.38 126.29 2eef n GLN 19 Ca 0.07 0.70 -0.13 0.00 -1.94 0.00 0.00 57.00 55.70 2eef n GLN 19 Cb 0.51 -2.26 -0.08 0.00 0.11 0.00 0.00 30.24 28.53 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 2.51 0.25 -1.04 -1.09 0.13 -1.81 -3.18 132.00 127.77 2eef h PRO 20 Ca -0.45 -0.13 0.30 0.00 -0.87 0.00 0.00 66.00 64.85 2eef h PRO 20 Cb 1.29 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 2eef h PRO 20 CO 0.63 0.66 0.63 1.03 -0.23 0.00 0.00 178.00 180.71 2eef h SER 21 N -0.16 0.52 -0.69 1.44 0.87 -1.69 -1.03 113.55 112.81 2eef h SER 21 Ca 0.02 0.15 0.19 0.00 -1.23 0.00 0.00 61.79 60.91 2eef h SER 21 Cb 0.62 0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 62.52 2eef h SER 21 CO 0.02 -0.02 0.01 0.00 -0.53 0.00 0.00 176.83 176.31 2eef n ALA 22 N -2.36 0.35 -3.24 6.23 0.00 -1.20 -3.04 120.51 117.25 2eef n ALA 22 Ca 0.30 0.75 -0.45 0.00 0.00 0.00 0.00 53.44 54.03 2eef n ALA 22 Cb 0.94 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 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 -5.01 6.15 0.26 0.00 1.01 -0.39 -4.93 116.67 113.77 2eef s ASP 23 Ca -0.09 -1.70 -0.04 0.00 0.71 0.00 0.00 52.55 51.43 2eef s ASP 23 Cb 0.20 -2.19 0.34 0.00 1.01 0.00 0.00 42.92 42.28 2eef s ASP 23 CO 0.54 -0.81 1.92 0.22 0.21 0.00 0.00 175.17 177.25 2eef h TYR 24 N 8.84 1.21 0.05 4.23 3.20 -1.80 0.43 116.97 133.13 2eef h TYR 24 Ca -0.29 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.60 2eef h TYR 24 Cb 1.10 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.97 2eef h TYR 24 CO 0.71 0.72 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.85 2eef h LEU 25 N 1.26 -0.05 -1.45 2.82 -0.00 -1.91 0.47 115.31 116.45 2eef h LEU 25 Ca 0.38 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 58.33 2eef h LEU 25 Cb -0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2eef h LEU 25 CO -0.11 -0.01 0.61 -0.78 -0.00 0.00 0.00 178.44 178.16 2eef h ASP 26 N -0.13 0.00 0.00 -0.43 3.58 -1.94 -0.89 116.42 116.61 2eef h ASP 26 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2eef h ASP 26 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2eef h ASP 26 CO 0.01 0.00 -0.19 0.15 -2.88 0.00 0.00 179.24 176.33 2eef h PHE 27 N 0.00 0.00 -1.11 0.28 3.04 -0.91 -3.35 116.94 114.88 2eef h PHE 27 Ca 0.11 0.00 0.31 0.00 3.98 0.00 0.00 57.97 62.37 2eef h PHE 27 Cb 1.34 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.78 2eef h PHE 27 CO 0.00 0.00 0.76 0.07 -2.02 0.00 0.00 178.31 177.12 2eef h ARG 28 N -0.87 0.17 -0.95 1.11 0.11 0.04 0.32 114.38 114.31 2eef h ARG 28 Ca 0.00 -0.01 0.07 0.00 0.10 0.00 0.00 59.98 60.14 2eef h ARG 28 Cb 0.19 -0.04 -0.07 0.00 1.11 0.00 0.00 29.97 31.16 2eef h ARG 28 CO 0.00 0.12 0.60 -0.91 0.10 0.00 0.00 179.97 179.88 2eef h ASN 29 N 0.18 0.95 0.19 0.08 2.35 -1.35 0.51 115.58 118.49 2eef h ASN 29 Ca 0.58 0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 56.11 2eef h ASN 29 Cb 1.92 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 40.11 2eef h ASN 29 CO -0.15 0.60 -0.98 0.03 -1.65 0.00 0.00 177.43 175.28 2eef h ARG 30 N 1.08 0.54 0.00 0.81 2.47 -0.52 0.21 114.38 118.97 2eef h ARG 30 Ca 0.41 -0.57 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2eef h ARG 30 Cb 0.19 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2eef h ARG 30 CO -0.18 1.20 0.00 -0.11 0.56 0.00 0.00 179.97 181.44 2eef n LEU 31 N -3.79 0.45 -0.07 3.04 7.94 -0.83 0.61 117.00 124.34 2eef n LEU 31 Ca -0.08 0.56 -0.07 0.00 -1.11 0.00 0.00 56.01 55.31 2eef n LEU 31 Cb 0.85 -0.45 -0.12 0.00 0.53 0.00 0.00 43.42 44.24 2eef n LEU 31 CO 0.53 -0.22 -0.97 1.67 -1.11 0.00 0.00 177.39 177.29 2eef n GLN 32 N -1.94 1.50 -0.04 1.96 -0.06 0.17 -2.87 117.38 116.10 2eef n GLN 32 Ca 0.05 -0.02 -0.03 0.00 -2.00 0.00 0.00 57.00 55.01 2eef n GLN 32 Cb 0.33 -1.38 -0.14 0.00 -4.06 0.00 0.00 30.24 24.98 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2eef n ALA 33 N -2.53 1.89 0.25 1.69 0.00 0.73 -4.42 120.51 118.12 2eef n ALA 33 Ca -0.23 -0.94 0.03 0.00 0.00 0.00 0.00 53.44 52.30 2eef n ALA 33 Cb 0.96 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.69 0.83 -2.09 0.00 2.03 0.20 -5.00 116.55 109.83 2eef n ASP 34 Ca -0.20 -0.54 -0.18 0.00 0.52 0.00 0.00 54.79 54.39 2eef n ASP 34 Cb 0.95 1.05 -0.01 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 -1.24 -0.92 -3.65 -0.67 8.25 -0.83 -4.85 115.22 111.31 2eef n HIS 35 Ca 0.01 0.03 -0.04 0.00 -0.26 0.00 0.00 57.72 57.47 2eef n HIS 35 Cb 0.11 -3.60 -0.07 0.00 1.12 0.00 0.00 29.99 27.55 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 -2.91 0.00 -0.30 1.59 0.11 -1.21 -3.52 120.40 114.16 2eef s VAL 36 Ca 0.02 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.92 2eef s VAL 36 Cb -0.01 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.99 2eef s VAL 36 CO 0.02 0.00 0.92 0.00 -3.33 0.00 0.00 175.10 172.72 2eef n LEU 38 N 4.68 3.38 0.04 0.00 7.94 -1.26 -2.21 117.00 129.56 2eef n LEU 38 Ca -0.12 1.06 -0.02 0.00 -1.11 0.00 0.00 56.01 55.82 2eef n LEU 38 Cb 0.54 -1.46 -0.01 0.00 0.53 0.00 0.00 43.42 43.02 2eef n LEU 38 CO -0.03 -0.14 0.14 -0.08 -1.11 0.00 0.00 177.39 176.17 2eef h GLU 39 N 6.59 -0.13 -2.78 1.96 4.81 -0.68 -3.39 114.58 120.96 2eef h GLU 39 Ca -0.45 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 58.67 2eef h GLU 39 Cb 1.24 0.03 -0.23 0.00 0.63 0.00 0.00 28.75 30.42 2eef h GLU 39 CO 0.91 -0.09 -0.23 0.54 -0.73 0.00 0.00 179.01 179.42 2eef s ASN 40 N -3.64 -0.38 -0.08 1.04 4.22 -1.11 -2.60 114.94 112.39 2eef s ASN 40 Ca -0.02 0.63 -0.00 0.00 -2.14 0.00 0.00 52.86 51.33 2eef s ASN 40 Cb 0.00 0.69 0.02 0.00 1.28 0.00 0.00 41.25 43.24 2eef s ASN 40 CO 0.06 -0.24 -0.04 0.00 -2.04 0.00 0.00 177.10 174.84 2eef s VAL 42 N 1.62 2.51 0.03 0.00 -7.23 0.48 -4.99 120.40 112.82 2eef s VAL 42 Ca 0.01 -1.82 0.07 0.00 -1.81 0.00 0.00 61.98 58.44 2eef s VAL 42 Cb -0.13 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 2eef s VAL 42 CO -0.05 -0.10 -0.20 -0.22 -0.31 0.00 0.00 175.10 174.22 2eef s LEU 43 N -3.81 2.47 0.00 1.32 0.20 -1.26 -2.28 118.68 115.32 2eef s LEU 43 Ca 0.38 -0.44 0.05 0.00 0.69 0.00 0.00 54.13 54.81 2eef s LEU 43 Cb 0.02 -1.45 -0.02 0.00 -0.43 0.00 0.00 46.19 44.31 2eef s LEU 43 CO 0.21 0.27 0.19 0.29 -0.29 0.00 0.00 176.35 177.03 2eef n LYS 44 N 1.76 0.41 -1.57 1.98 5.02 0.16 -4.96 118.16 120.95 2eef n LYS 44 Ca -0.16 -2.66 -0.50 0.00 -2.02 0.00 0.00 58.31 52.97 2eef n LYS 44 Cb 0.52 1.98 -0.06 0.00 -0.02 0.00 0.00 35.03 37.45 2eef n LYS 44 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2eef n ASP 45 N -1.88 2.74 -3.32 4.39 8.00 -1.26 -1.91 116.55 123.30 2eef n ASP 45 Ca 0.03 0.64 -0.23 0.00 0.71 0.00 0.00 54.79 55.94 2eef n ASP 45 Cb 0.48 -1.32 -0.04 0.00 -0.02 0.00 0.00 41.12 40.21 2eef n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2eef n LYS 46 N 7.46 -1.35 -3.66 -1.24 5.02 -1.26 -4.80 118.16 118.33 2eef n LYS 46 Ca 0.32 0.08 -0.08 0.00 -2.02 0.00 0.00 58.31 56.60 2eef n LYS 46 Cb 0.27 -3.68 -0.02 0.00 -0.02 0.00 0.00 35.03 31.58 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2eef s ALA 47 N -2.39 -1.46 0.14 7.82 0.00 -0.80 -1.67 121.76 123.39 2eef s ALA 47 Ca 0.45 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.56 2eef s ALA 47 Cb -0.26 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 2eef s ALA 47 CO 0.55 -0.91 0.04 0.96 0.00 0.00 0.00 175.76 176.40 2eef s ILE 48 N -3.70 0.26 -0.23 0.00 -4.36 -0.55 0.38 121.20 112.99 2eef s ILE 48 Ca 0.07 -1.93 -0.17 0.00 -0.26 0.00 0.00 60.65 58.37 2eef s ILE 48 Cb -0.03 -2.05 0.07 0.00 1.25 0.00 0.00 42.46 41.69 2eef s ILE 48 CO -0.02 -0.48 0.59 0.00 0.24 0.00 0.00 174.94 175.27 2eef s ALA 49 N -3.94 -1.53 0.13 2.27 0.00 -0.96 -3.03 121.76 114.69 2eef s ALA 49 Ca 0.24 1.92 -0.22 0.00 0.00 0.00 0.00 51.96 53.89 2eef s ALA 49 Cb 0.07 -1.13 0.06 0.00 0.00 0.00 0.00 23.12 22.13 2eef s ALA 49 CO 0.02 -0.31 0.56 0.20 0.00 0.00 0.00 175.76 176.23 2eef s GLY 50 N 0.99 -0.54 -0.10 0.00 0.00 -0.87 -0.39 107.32 106.41 2eef s GLY 50 Ca -0.05 0.45 0.03 0.00 0.00 0.00 0.00 44.72 45.14 2eef s GLY 50 CO -0.09 0.13 -0.20 -0.51 0.00 0.00 0.00 173.10 172.43 2eef s THR 51 N -3.51 2.47 -0.11 0.90 -4.23 -0.29 -0.07 115.64 110.80 2eef s THR 51 Ca 0.00 -0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.61 2eef s THR 51 Cb -0.00 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 2eef s THR 51 CO -0.11 0.55 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.82 2eef s VAL 52 N 0.25 4.17 0.02 2.29 1.01 0.40 0.08 120.40 128.62 2eef s VAL 52 Ca -0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 2eef s VAL 52 Cb -0.17 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2eef s VAL 52 CO 0.07 0.57 0.12 -0.75 0.00 0.00 0.00 175.10 175.11 2eef s LYS 53 N -0.51 3.16 0.21 2.72 2.47 -0.94 -1.18 119.74 125.68 2eef s LYS 53 Ca 0.09 -0.48 -0.01 0.00 -1.56 0.00 0.00 55.97 54.01 2eef s LYS 53 Cb -0.12 -2.91 -0.04 0.00 -1.46 0.00 0.00 37.83 33.30 2eef s LYS 53 CO 0.02 0.64 0.15 0.14 0.16 0.00 0.00 175.35 176.46 2eef s VAL 54 N -1.29 0.00 0.02 4.02 -7.23 -1.23 -2.02 120.40 112.67 2eef s VAL 54 Ca 0.26 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.32 2eef s VAL 54 Cb -0.12 -2.49 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 2eef s VAL 54 CO 0.18 0.00 0.39 -1.10 -0.31 0.00 0.00 175.10 174.26 2eef s GLN 55 N -4.11 3.84 -0.11 4.82 -1.52 -1.23 -4.47 119.66 116.88 2eef s GLN 55 Ca 0.39 0.30 -0.05 0.00 -1.95 0.00 0.00 55.36 54.05 2eef s GLN 55 Cb 0.06 -3.15 -0.15 0.00 -0.22 0.00 0.00 33.01 29.56 2eef s GLN 55 CO 0.13 0.66 3.18 0.27 -0.25 0.00 0.00 175.29 179.28 2eef n ASN 56 N 1.54 5.56 0.19 5.90 6.94 -1.26 -4.51 115.26 129.62 2eef n ASN 56 Ca -0.12 -2.65 -0.13 0.00 -0.02 0.00 0.00 54.58 51.66 2eef n ASN 56 Cb 0.52 -1.33 -0.08 0.00 -2.36 0.00 0.00 39.78 36.54 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2eef h LEU 57 N 4.43 -0.43 -9.91 -4.53 3.38 -1.99 -3.45 115.31 102.81 2eef h LEU 57 Ca 0.21 -0.14 -0.51 0.00 0.09 0.00 0.00 57.88 57.53 2eef h LEU 57 Cb 1.26 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.07 2eef h LEU 57 CO 0.36 -0.05 -0.51 0.00 0.09 0.00 0.00 178.44 178.33 2eef s ALA 58 N -4.77 3.63 0.02 1.53 0.00 -1.26 -5.07 121.76 115.84 2eef s ALA 58 Ca -0.14 -1.60 -0.12 0.00 0.00 0.00 0.00 51.96 50.10 2eef s ALA 58 Cb 0.02 -1.10 -0.07 0.00 0.00 0.00 0.00 23.12 21.97 2eef s ALA 58 CO 0.51 0.12 1.07 0.35 0.00 0.00 0.00 175.76 177.81 2eef h PHE 59 N 1.44 -0.41 -3.29 0.00 3.04 -1.98 -3.44 116.94 112.31 2eef h PHE 59 Ca -0.46 -0.01 -0.56 0.00 3.98 0.00 0.00 57.97 60.92 2eef h PHE 59 Cb 1.25 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 39.85 2eef h PHE 59 CO 0.57 -0.26 -0.09 -1.21 -2.02 0.00 0.00 178.31 175.31 2eef s GLU 60 N -3.76 4.01 0.25 1.11 2.02 -1.26 -5.09 118.70 115.98 2eef s GLU 60 Ca -0.06 0.52 0.01 0.00 0.02 0.00 0.00 54.97 55.46 2eef s GLU 60 Cb 0.01 -3.00 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 2eef s GLU 60 CO 0.19 0.52 0.10 0.15 0.02 0.00 0.00 175.26 176.24 2eef s LYS 61 N -1.77 1.40 -0.19 1.61 1.02 -1.26 -4.84 119.74 115.70 2eef s LYS 61 Ca 0.35 -1.75 -0.05 0.00 0.02 0.00 0.00 55.97 54.55 2eef s LYS 61 Cb -0.16 -0.24 0.07 0.00 -0.52 0.00 0.00 37.83 36.98 2eef s LYS 61 CO 0.19 -0.30 0.12 0.99 -0.92 0.00 0.00 175.35 175.43 2eef s THR 62 N -3.77 -0.13 -0.20 2.17 2.01 -1.07 -5.02 115.64 109.63 2eef s THR 62 Ca 0.38 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 2eef s THR 62 Cb 0.08 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.95 2eef s THR 62 CO 0.13 -0.31 -0.11 -0.69 -0.69 0.00 0.00 174.62 172.95 2eef s VAL 63 N 2.17 2.86 -0.05 3.82 1.01 -1.26 -1.50 120.40 127.45 2eef s VAL 63 Ca 0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2eef s VAL 63 Cb -0.16 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 33.99 2eef s VAL 63 CO -0.13 0.47 0.10 -0.54 0.00 0.00 0.00 175.10 175.00 2eef s LYS 64 N 1.32 0.02 -0.04 2.72 1.02 -1.14 -1.82 119.74 121.83 2eef s LYS 64 Ca 0.04 0.33 -0.15 0.00 0.02 0.00 0.00 55.97 56.21 2eef s LYS 64 Cb -0.14 -0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 36.87 2eef s LYS 64 CO -0.06 -0.20 0.41 0.42 -0.92 0.00 0.00 175.35 175.00 2eef s ILE 65 N 1.37 5.08 -0.24 2.17 -1.09 -0.87 -2.74 121.20 124.88 2eef s ILE 65 Ca -0.06 0.84 -0.04 0.00 -2.23 0.00 0.00 60.65 59.16 2eef s ILE 65 Cb -0.12 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 2eef s ILE 65 CO -0.05 0.51 -0.03 0.00 -1.23 0.00 0.00 174.94 174.15 2eef s ARG 66 N -0.61 3.18 -0.04 2.79 1.70 -0.91 -1.56 118.95 123.51 2eef s ARG 66 Ca 0.24 -0.76 0.04 0.00 -0.47 0.00 0.00 55.73 54.78 2eef s ARG 66 Cb -0.16 -3.06 -0.03 0.00 -0.57 0.00 0.00 34.95 31.13 2eef s ARG 66 CO 0.12 -0.29 -0.16 1.41 -1.08 0.00 0.00 175.30 175.30 2eef s MET 67 N 1.44 2.42 0.04 3.89 1.75 -1.20 -1.91 119.30 125.73 2eef s MET 67 Ca 0.04 -0.75 0.02 0.00 -1.25 0.00 0.00 55.69 53.76 2eef s MET 67 Cb -0.15 -2.32 -0.02 0.00 2.84 0.00 0.00 34.83 35.17 2eef s MET 67 CO -0.03 0.61 -0.08 -0.08 -0.65 0.00 0.00 175.02 174.79 2eef s THR 68 N -0.73 0.58 -0.03 10.11 -1.32 -1.01 -2.36 115.64 120.88 2eef s THR 68 Ca 0.12 -1.06 0.05 0.00 -1.21 0.00 0.00 61.69 59.59 2eef s THR 68 Cb -0.11 -0.63 0.07 0.00 -1.51 0.00 0.00 72.50 70.32 2eef s THR 68 CO 0.01 -0.34 1.00 0.49 -2.21 0.00 0.00 174.62 173.56 2eef n PHE 69 N 1.52 0.00 -3.41 9.09 3.72 -1.25 -3.23 117.46 123.90 2eef n PHE 69 Ca -0.22 -0.58 -0.26 0.00 -0.05 0.00 0.00 57.45 56.34 2eef n PHE 69 Cb 0.55 -0.07 -0.09 0.00 -0.94 0.00 0.00 39.48 38.93 2eef n PHE 69 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2eef n ASP 70 N -0.69 1.02 -3.50 4.37 8.00 -1.22 -4.59 116.55 119.93 2eef n ASP 70 Ca 0.04 -2.80 -0.20 0.00 0.71 0.00 0.00 54.79 52.55 2eef n ASP 70 Cb 0.38 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.79 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2eef n THR 71 N 1.87 -0.46 -3.29 -3.53 -1.04 -1.03 0.19 114.28 106.99 2eef n THR 71 Ca 0.25 -0.23 -0.15 0.00 -2.04 0.00 0.00 64.05 61.88 2eef n THR 71 Cb 0.46 -0.52 0.08 0.00 -1.82 0.00 0.00 70.33 68.54 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 -2.98 -2.05 -0.02 -1.42 7.02 -1.26 -4.94 117.44 111.79 2eef n TRP 72 Ca -0.14 0.86 -0.03 0.00 -1.02 0.00 0.00 57.50 57.17 2eef n TRP 72 Cb 0.38 -4.75 -0.02 0.00 -2.42 0.00 0.00 31.31 24.50 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 -3.79 0.60 -3.70 -0.99 5.02 0.50 -4.94 118.16 110.87 2eef n LYS 73 Ca -0.24 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.77 2eef n LYS 73 Cb 0.65 -1.08 -0.13 0.00 -0.02 0.00 0.00 35.03 34.45 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 -4.25 3.70 0.37 4.39 0.15 -1.26 -5.03 113.70 111.77 2eef s SER 74 Ca -0.05 -2.35 0.08 0.00 0.70 0.00 0.00 55.95 54.32 2eef s SER 74 Cb 0.01 -0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 63.34 2eef s SER 74 CO 0.10 -0.31 0.26 -0.72 1.20 0.00 0.00 173.24 173.78 2eef s TYR 75 N 0.71 2.77 -0.00 3.44 -0.85 -1.26 -3.93 117.35 118.23 2eef s TYR 75 Ca 0.16 -0.40 0.01 0.00 -0.52 0.00 0.00 57.07 56.31 2eef s TYR 75 Cb -0.23 -1.87 -0.00 0.00 0.38 0.00 0.00 41.96 40.24 2eef s TYR 75 CO -0.05 0.14 -0.03 0.99 -1.52 0.00 0.00 175.55 175.07 2eef s THR 76 N -2.41 0.27 -0.33 -3.49 2.01 -0.99 -4.95 115.64 105.75 2eef s THR 76 Ca 0.42 -0.16 -0.23 0.00 0.31 0.00 0.00 61.69 62.02 2eef s THR 76 Cb -0.03 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.24 2eef s THR 76 CO 0.25 0.06 0.79 -1.81 -0.69 0.00 0.00 174.62 173.23 2eef s ASP 77 N -0.11 6.62 -0.20 3.53 1.01 -1.26 -3.26 116.67 123.00 2eef s ASP 77 Ca 0.01 0.56 -0.06 0.00 0.71 0.00 0.00 52.55 53.77 2eef s ASP 77 Cb -0.01 -2.40 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 2eef s ASP 77 CO -0.00 -0.65 0.02 -0.36 0.21 0.00 0.00 175.17 174.38 2eef s PHE 78 N 3.01 3.07 0.12 4.23 0.08 -0.60 -4.97 117.98 122.93 2eef s PHE 78 Ca 0.32 -0.37 -0.31 0.00 0.12 0.00 0.00 56.93 56.69 2eef s PHE 78 Cb -0.14 -2.11 -0.08 0.00 -0.57 0.00 0.00 43.02 40.13 2eef s PHE 78 CO 0.14 -0.20 1.35 -1.25 -0.10 0.00 0.00 175.22 175.17 2eef s PRO 79 N 1.00 4.34 0.34 0.24 0.04 -1.26 -2.06 135.00 137.64 2eef s PRO 79 Ca 0.02 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 2eef s PRO 79 Cb -0.14 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 2eef s PRO 79 CO 0.02 -0.39 0.57 0.00 0.04 0.00 0.00 177.00 177.24 2eef s GLN 81 N -4.06 2.10 -0.15 0.00 -2.07 -0.83 -4.90 119.66 109.74 2eef s GLN 81 Ca 0.42 -2.18 -0.06 0.00 -1.82 0.00 0.00 55.36 51.72 2eef s GLN 81 Cb -0.10 -1.67 -0.04 0.00 -1.09 0.00 0.00 33.01 30.12 2eef s GLN 81 CO 0.35 -0.20 0.04 -0.47 -1.32 0.00 0.00 175.29 173.68 2eef s TYR 82 N -2.76 3.23 -0.38 9.60 6.14 -1.26 -0.72 117.35 131.20 2eef s TYR 82 Ca 0.25 0.09 -0.17 0.00 0.64 0.00 0.00 57.07 57.88 2eef s TYR 82 Cb 0.05 -1.98 0.01 0.00 0.42 0.00 0.00 41.96 40.46 2eef s TYR 82 CO 0.13 0.25 0.45 0.08 0.64 0.00 0.00 175.55 177.10 2eef s VAL 83 N -0.05 5.08 -0.17 3.14 1.01 -0.71 -4.92 120.40 123.78 2eef s VAL 83 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2eef s VAL 83 Cb -0.12 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.33 2eef s VAL 83 CO 0.01 -0.28 -0.09 -0.75 0.00 0.00 0.00 175.10 173.99 2eef s LYS 84 N 2.21 1.80 -0.23 2.72 2.20 -1.26 -4.77 119.74 122.41 2eef s LYS 84 Ca 0.14 -0.61 -0.27 0.00 -0.36 0.00 0.00 55.97 54.88 2eef s LYS 84 Cb -0.16 -2.12 0.11 0.00 -1.51 0.00 0.00 37.83 34.14 2eef s LYS 84 CO 0.13 -0.38 0.91 0.34 -0.36 0.00 0.00 175.35 176.00 2eef s ASP 85 N 1.53 -0.53 0.39 1.43 -1.08 -1.26 -5.03 116.67 112.13 2eef s ASP 85 Ca 0.01 0.89 0.22 0.00 -0.52 0.00 0.00 52.55 53.15 2eef s ASP 85 Cb -0.15 0.85 1.24 0.00 -1.46 0.00 0.00 42.92 43.41 2eef s ASP 85 CO -0.08 -0.27 1.66 0.00 0.52 0.00 0.00 175.17 177.00 2eef h THR 86 N 3.41 0.25 -0.40 1.71 1.03 -2.07 0.67 112.91 117.51 2eef h THR 86 Ca -0.26 -0.08 -0.26 0.00 -0.01 0.00 0.00 66.41 65.81 2eef h THR 86 Cb 1.17 0.01 -0.12 0.00 -1.07 0.00 0.00 68.15 68.14 2eef h THR 86 CO 0.17 0.04 0.33 -1.22 -0.01 0.00 0.00 175.52 174.83 2eef n TYR 87 N -4.84 1.27 -3.35 0.00 4.01 -1.26 -4.58 117.16 108.40 2eef n TYR 87 Ca 0.33 -1.65 -0.29 0.00 -0.16 0.00 0.00 57.90 56.13 2eef n TYR 87 Cb 1.16 -0.81 -0.07 0.00 -0.31 0.00 0.00 39.34 39.32 2eef n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2eef n ALA 88 N 0.40 4.25 -1.50 -0.72 0.00 0.23 -5.00 120.51 118.17 2eef n ALA 88 Ca 0.25 -4.78 -0.34 0.00 0.00 0.00 0.00 53.44 48.57 2eef n ALA 88 Cb 0.65 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 2eef n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eef n GLY 89 N 0.90 1.28 0.00 0.00 0.00 -1.26 -3.93 105.19 102.18 2eef n GLY 89 Ca 0.29 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 12.13 1.43 -1.98 1.61 7.64 -1.26 -5.02 113.62 128.18 2eef n SER 90 Ca 0.46 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.21 2eef n SER 90 Cb 0.44 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 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 -1.62 -3.83 -3.85 6.43 8.00 -1.25 -4.90 116.55 115.53 2eef n ASP 91 Ca 0.00 0.24 -0.14 0.00 0.71 0.00 0.00 54.79 55.60 2eef n ASP 91 Cb 0.17 -3.38 -0.08 0.00 -0.02 0.00 0.00 41.12 37.81 2eef n ASP 91 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2eef s ARG 92 N -4.20 1.46 -1.22 -1.24 0.52 -1.26 -5.06 118.95 107.95 2eef s ARG 92 Ca 0.00 -1.70 -0.21 0.00 -0.52 0.00 0.00 55.73 53.30 2eef s ARG 92 Cb 0.00 0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.77 2eef s ARG 92 CO 0.00 -0.53 1.87 -3.47 0.02 0.00 0.00 175.30 173.19 2eef n ASP 93 N -0.74 3.80 -4.69 0.23 -0.08 -1.26 -4.93 116.55 108.88 2eef n ASP 93 Ca 0.03 -2.79 -0.40 0.00 -1.51 0.00 0.00 54.79 50.12 2eef n ASP 93 Cb 0.64 -1.71 -0.05 0.00 2.34 0.00 0.00 41.12 42.34 2eef n ASP 93 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2eef s THR 94 N 7.82 5.06 0.27 5.18 2.01 -1.26 -3.57 115.64 131.15 2eef s THR 94 Ca 0.61 1.25 0.10 0.00 0.31 0.00 0.00 61.69 63.96 2eef s THR 94 Cb 0.02 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2eef s THR 94 CO 0.11 0.20 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.87 2eef s PHE 95 N 1.29 2.68 0.05 4.92 0.40 -0.32 -1.74 117.98 125.27 2eef s PHE 95 Ca 0.32 -0.24 0.05 0.00 -0.60 0.00 0.00 56.93 56.46 2eef s PHE 95 Cb -0.16 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 2eef s PHE 95 CO 0.13 0.61 -0.14 0.45 0.70 0.00 0.00 175.22 176.97 2eef s SER 96 N -3.68 1.61 -0.03 1.36 0.15 0.10 -0.45 113.70 112.76 2eef s SER 96 Ca 0.32 -0.52 0.03 0.00 0.70 0.00 0.00 55.95 56.47 2eef s SER 96 Cb -0.06 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2eef s SER 96 CO 0.20 -0.02 -0.11 0.72 1.20 0.00 0.00 173.24 175.23 2eef s PHE 97 N -1.03 1.12 -0.32 3.44 -0.12 0.90 -1.96 117.98 120.01 2eef s PHE 97 Ca -0.00 -0.30 0.01 0.00 -0.05 0.00 0.00 56.93 56.58 2eef s PHE 97 Cb -0.09 -0.80 0.10 0.00 -0.63 0.00 0.00 43.02 41.61 2eef s PHE 97 CO 0.02 -0.13 0.08 0.34 -0.05 0.00 0.00 175.22 175.48 2eef s ASP 98 N 0.23 4.24 -0.13 1.98 2.15 -1.26 -2.04 116.67 121.84 2eef s ASP 98 Ca -0.04 -1.78 -0.05 0.00 0.43 0.00 0.00 52.55 51.10 2eef s ASP 98 Cb -0.10 -1.08 -0.04 0.00 -0.30 0.00 0.00 42.92 41.40 2eef s ASP 98 CO 0.01 -0.40 0.07 -0.63 -0.17 0.00 0.00 175.17 174.05 2eef s ILE 99 N 1.41 4.90 -0.46 4.11 1.01 -1.17 -4.99 121.20 126.01 2eef s ILE 99 Ca 0.10 -0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.57 2eef s ILE 99 Cb -0.18 -3.13 0.05 0.00 0.01 0.00 0.00 42.46 39.21 2eef s ILE 99 CO -0.20 0.57 0.44 -0.44 0.00 0.00 0.00 174.94 175.31 2eef s SER 100 N -0.55 6.17 0.74 3.58 0.01 -1.26 -1.48 113.70 120.91 2eef s SER 100 Ca 0.11 -0.99 -0.16 0.00 1.31 0.00 0.00 55.95 56.21 2eef s SER 100 Cb -0.12 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 2eef s SER 100 CO 0.02 -0.65 0.37 0.18 0.41 0.00 0.00 173.24 173.57 2eef n LEU 101 N 5.52 -0.11 -4.72 2.44 4.77 -0.67 -4.95 117.00 119.28 2eef n LEU 101 Ca -0.09 0.55 -0.30 0.00 -0.03 0.00 0.00 56.01 56.14 2eef n LEU 101 Cb 0.46 -1.15 0.13 0.00 -2.33 0.00 0.00 43.42 40.53 2eef n LEU 101 CO 0.47 -3.50 0.67 -2.16 -1.33 0.00 0.00 177.39 171.55 2eef s PRO 102 N -2.61 1.40 0.16 3.23 0.04 -1.26 -4.84 135.00 131.12 2eef s PRO 102 Ca 0.62 0.87 -0.13 0.00 0.04 0.00 0.00 61.00 62.40 2eef s PRO 102 Cb -0.34 -1.82 0.15 0.00 0.04 0.00 0.00 34.50 32.52 2eef s PRO 102 CO 0.61 -2.16 1.08 -0.85 0.04 0.00 0.00 177.00 175.72 2eef n GLU 103 N -3.83 -0.18 -4.00 4.56 0.28 -1.26 -4.69 120.64 111.52 2eef n GLU 103 Ca 0.07 1.07 -0.11 0.00 -0.16 0.00 0.00 57.16 58.03 2eef n GLU 103 Cb 0.55 -1.59 -0.03 0.00 1.43 0.00 0.00 31.44 31.80 2eef n GLU 103 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2eef s LYS 104 N -5.63 1.84 -0.06 3.44 1.02 -1.26 -5.09 119.74 114.00 2eef s LYS 104 Ca -0.09 -1.50 -0.04 0.00 0.02 0.00 0.00 55.97 54.36 2eef s LYS 104 Cb 0.14 0.49 0.02 0.00 -0.52 0.00 0.00 37.83 37.96 2eef s LYS 104 CO 0.49 -0.79 0.15 0.42 -0.92 0.00 0.00 175.35 174.70 2eef s ILE 105 N -3.27 -0.02 0.42 2.17 1.01 -1.26 -5.17 121.20 115.08 2eef s ILE 105 Ca 0.24 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.98 2eef s ILE 105 Cb -0.02 -0.23 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 2eef s ILE 105 CO 0.14 0.03 0.05 0.00 0.00 0.00 0.00 174.94 175.17 2eef n GLN 106 N 3.53 0.79 -2.09 2.79 6.02 -1.26 -5.05 117.38 122.10 2eef n GLN 106 Ca -0.18 -3.21 -0.39 0.00 -0.01 0.00 0.00 57.00 53.21 2eef n GLN 106 Cb 0.56 1.21 0.02 0.00 1.02 0.00 0.00 30.24 33.04 2eef n GLN 106 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2eef n SER 107 N -1.40 7.39 -0.03 1.08 3.41 -1.26 -4.36 113.62 118.45 2eef n SER 107 Ca -0.13 -3.65 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 2eef n SER 107 Cb 0.56 -1.15 -0.09 0.00 -0.26 0.00 0.00 64.21 63.28 2eef n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2eef n TYR 108 N -0.01 0.00 -4.13 7.33 4.11 -1.26 -5.06 117.16 118.13 2eef n TYR 108 Ca 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 58.26 2eef n TYR 108 Cb 0.28 -0.40 -0.05 0.00 -0.00 0.00 0.00 39.34 39.17 2eef n TYR 108 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 2eef s GLU 109 N -2.55 1.83 0.39 -3.48 2.02 -1.26 -5.02 118.70 110.62 2eef s GLU 109 Ca -0.05 -1.79 -0.01 0.00 0.02 0.00 0.00 54.97 53.14 2eef s GLU 109 Cb 0.05 0.41 -0.03 0.00 0.10 0.00 0.00 34.13 34.66 2eef s GLU 109 CO 0.47 -0.73 0.62 0.50 0.02 0.00 0.00 175.26 176.14 2eef s ARG 110 N -3.23 3.51 -0.09 1.61 6.06 -1.26 -4.83 118.95 120.71 2eef s ARG 110 Ca 0.33 -0.17 -0.03 0.00 -2.50 0.00 0.00 55.73 53.36 2eef s ARG 110 Cb 0.01 -2.57 0.05 0.00 0.06 0.00 0.00 34.95 32.49 2eef s ARG 110 CO 0.21 0.04 0.13 1.41 -2.50 0.00 0.00 175.30 174.59 2eef s MET 111 N -4.43 0.01 0.26 5.12 -2.45 -1.26 -2.47 119.30 114.07 2eef s MET 111 Ca 0.42 0.40 -0.13 0.00 -1.25 0.00 0.00 55.69 55.13 2eef s MET 111 Cb -0.10 -0.61 -0.00 0.00 1.25 0.00 0.00 34.83 35.37 2eef s MET 111 CO 0.39 -0.39 0.50 -1.21 1.05 0.00 0.00 175.02 175.36 2eef s GLU 112 N 2.24 1.60 -0.02 4.11 2.02 -1.20 -3.50 118.70 123.96 2eef s GLU 112 Ca 0.04 -1.25 -0.03 0.00 0.02 0.00 0.00 54.97 53.75 2eef s GLU 112 Cb -0.13 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.59 2eef s GLU 112 CO -0.06 -0.67 0.06 -0.59 0.02 0.00 0.00 175.26 174.02 2eef s PHE 113 N -3.94 -0.01 0.15 1.61 -0.12 -1.25 -2.42 117.98 112.00 2eef s PHE 113 Ca 0.22 0.03 0.10 0.00 -0.05 0.00 0.00 56.93 57.23 2eef s PHE 113 Cb -0.01 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.32 2eef s PHE 113 CO 0.09 -0.09 -0.24 0.00 -0.05 0.00 0.00 175.22 174.93 2eef s ALA 114 N -0.38 2.27 -0.12 1.99 0.00 -0.80 -3.99 121.76 120.73 2eef s ALA 114 Ca -0.04 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.32 2eef s ALA 114 Cb -0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 2eef s ALA 114 CO 0.00 0.44 0.26 0.08 0.00 0.00 0.00 175.76 176.54 2eef s VAL 115 N -1.37 5.31 -0.36 0.00 1.01 -0.30 -2.14 120.40 122.55 2eef s VAL 115 Ca 0.15 0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.64 2eef s VAL 115 Cb -0.09 -3.58 0.11 0.00 0.00 0.00 0.00 36.38 32.82 2eef s VAL 115 CO 0.07 0.48 0.10 -0.47 0.00 0.00 0.00 175.10 175.28 2eef s TYR 116 N -0.18 3.08 -0.33 5.22 5.04 -1.11 -1.68 117.35 127.39 2eef s TYR 116 Ca 0.17 -2.68 -0.10 0.00 -2.44 0.00 0.00 57.07 52.01 2eef s TYR 116 Cb -0.13 -2.55 0.00 0.00 0.35 0.00 0.00 41.96 39.63 2eef s TYR 116 CO 0.05 -0.90 0.18 -0.47 -1.34 0.00 0.00 175.55 173.07 2eef s TYR 117 N 0.91 3.20 -0.22 4.97 5.04 -0.77 -2.87 117.35 127.62 2eef s TYR 117 Ca 0.12 -0.63 -0.10 0.00 -2.44 0.00 0.00 57.07 54.02 2eef s TYR 117 Cb -0.20 -2.40 -0.05 0.00 0.35 0.00 0.00 41.96 39.67 2eef s TYR 117 CO -0.11 -0.50 0.14 -2.00 -1.34 0.00 0.00 175.55 171.74 2eef s GLU 118 N 1.61 4.11 -0.09 4.97 -6.30 -0.56 -1.46 118.70 120.98 2eef s GLU 118 Ca 0.04 -0.26 -0.30 0.00 -2.50 0.00 0.00 54.97 51.96 2eef s GLU 118 Cb -0.18 -3.45 0.11 0.00 0.00 0.00 0.00 34.13 30.60 2eef s GLU 118 CO 0.07 0.18 0.88 0.00 0.02 0.00 0.00 175.26 176.41 2eef n ASN 120 N 0.55 -3.74 -3.45 0.00 3.02 -1.26 -0.70 115.26 109.67 2eef n ASN 120 Ca -0.13 -0.86 -0.25 0.00 -0.03 0.00 0.00 54.58 53.31 2eef n ASN 120 Cb 0.59 -3.53 0.03 0.00 -0.61 0.00 0.00 39.78 36.25 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 -1.63 -0.51 3.40 7.41 0.00 -1.26 -4.97 105.19 107.64 2eef n GLY 121 Ca -0.01 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -6.14 1.69 -0.37 1.61 -1.52 0.12 -5.13 119.66 109.92 2eef s GLN 122 Ca 0.48 -1.98 0.00 0.00 -1.95 0.00 0.00 55.36 51.91 2eef s GLN 122 Cb -0.23 -0.38 0.12 0.00 -0.22 0.00 0.00 33.01 32.30 2eef s GLN 122 CO 0.59 -0.40 0.19 0.99 -0.25 0.00 0.00 175.29 176.40 2eef s THR 123 N -3.45 0.78 -0.12 -0.19 2.01 -1.26 -2.93 115.64 110.47 2eef s THR 123 Ca 0.33 -1.86 -0.26 0.00 0.31 0.00 0.00 61.69 60.20 2eef s THR 123 Cb 0.05 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 2eef s THR 123 CO 0.16 -0.85 0.86 -0.31 -0.69 0.00 0.00 174.62 173.79 2eef s TYR 124 N 1.03 3.49 -0.26 4.92 2.02 -0.54 -4.97 117.35 123.06 2eef s TYR 124 Ca 0.15 1.38 -0.06 0.00 -0.37 0.00 0.00 57.07 58.17 2eef s TYR 124 Cb -0.22 -3.03 -0.01 0.00 -0.40 0.00 0.00 41.96 38.31 2eef s TYR 124 CO -0.09 -0.15 0.03 -1.58 -1.57 0.00 0.00 175.55 172.19 2eef s TRP 125 N 1.75 3.07 -0.33 2.71 0.52 -1.26 -1.85 118.94 123.55 2eef s TRP 125 Ca 0.42 -0.81 0.00 0.00 0.02 0.00 0.00 56.10 55.73 2eef s TRP 125 Cb -0.18 -2.20 0.10 0.00 -1.15 0.00 0.00 33.47 30.05 2eef s TRP 125 CO 0.16 -0.50 0.10 0.34 0.02 0.00 0.00 176.95 177.07 2eef s ASP 126 N 1.52 4.13 -0.37 2.95 -1.08 -0.67 -4.99 116.67 118.17 2eef s ASP 126 Ca 0.05 -1.85 0.02 0.00 -0.52 0.00 0.00 52.55 50.25 2eef s ASP 126 Cb -0.16 -1.03 0.11 0.00 -1.46 0.00 0.00 42.92 40.38 2eef s ASP 126 CO 0.01 -0.39 0.12 -0.94 0.52 0.00 0.00 175.17 174.48 2eef s SER 127 N 1.34 4.32 -1.21 -0.34 1.04 -1.26 -1.15 113.70 116.44 2eef s SER 127 Ca 0.11 -2.17 -0.07 0.00 0.48 0.00 0.00 55.95 54.30 2eef s SER 127 Cb -0.18 -1.30 0.01 0.00 0.10 0.00 0.00 66.02 64.64 2eef s SER 127 CO -0.19 -0.36 0.93 -3.20 0.98 0.00 0.00 173.24 171.40 2eef n ASN 128 N 4.20 -5.76 -3.35 7.02 5.15 -1.26 -2.52 115.26 118.74 2eef n ASN 128 Ca 0.03 -0.42 -0.25 0.00 -0.60 0.00 0.00 54.58 53.33 2eef n ASN 128 Cb 0.40 -4.42 -0.05 0.00 -0.53 0.00 0.00 39.78 35.18 2eef n ASN 128 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2eef n ARG 129 N -4.24 -0.83 0.00 1.20 1.74 -1.26 -3.96 116.66 109.31 2eef n ARG 129 Ca -0.01 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2eef n ARG 129 Cb 0.56 -2.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 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 -0.91 -1.80 0.00 -0.13 0.00 -1.12 -5.05 105.19 96.18 2eef n GLY 130 Ca 0.06 0.76 -0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 0.01 -3.60 1.61 5.02 -1.22 -4.83 118.16 115.15 2eef n LYS 131 Ca 0.00 0.12 -0.04 0.00 -2.02 0.00 0.00 58.31 56.37 2eef n LYS 131 Cb 0.00 -0.63 -0.03 0.00 -0.02 0.00 0.00 35.03 34.35 2eef n LYS 131 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2eef s ASN 132 N -3.78 -0.14 -0.39 4.39 2.20 -1.05 -4.72 114.94 111.46 2eef s ASN 132 Ca -0.00 0.04 -0.29 0.00 -0.94 0.00 0.00 52.86 51.66 2eef s ASN 132 Cb 0.00 0.14 0.01 0.00 -2.00 0.00 0.00 41.25 39.40 2eef s ASN 132 CO 0.00 -0.21 1.26 -0.31 -2.94 0.00 0.00 177.10 174.91 2eef s TYR 133 N -2.11 2.69 -0.18 1.54 2.02 -1.26 -4.70 117.35 115.35 2eef s TYR 133 Ca 0.09 0.80 -0.23 0.00 -0.37 0.00 0.00 57.07 57.35 2eef s TYR 133 Cb -0.01 -4.17 -0.02 0.00 -0.40 0.00 0.00 41.96 37.36 2eef s TYR 133 CO -0.05 -1.56 0.74 -0.98 -1.57 0.00 0.00 175.55 172.14 2eef s ARG 134 N 4.44 4.26 -0.45 -0.62 1.70 -1.26 -3.95 118.95 123.08 2eef s ARG 134 Ca 0.54 0.85 -0.10 0.00 -0.47 0.00 0.00 55.73 56.54 2eef s ARG 134 Cb -0.12 -3.57 0.10 0.00 -0.57 0.00 0.00 34.95 30.78 2eef s ARG 134 CO 0.28 -0.28 0.32 0.42 -1.08 0.00 0.00 175.30 174.96 2eef s ILE 135 N 2.01 4.39 0.44 4.99 1.01 -1.23 -3.32 121.20 129.50 2eef s ILE 135 Ca 0.34 -1.50 0.03 0.00 0.00 0.00 0.00 60.65 59.52 2eef s ILE 135 Cb -0.16 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.55 2eef s ILE 135 CO 0.12 -0.63 0.63 0.27 0.00 0.00 0.00 174.94 175.33 2eef s ILE 136 N 1.44 3.57 0.82 2.92 -4.36 -1.05 -4.89 121.20 119.65 2eef s ILE 136 Ca 0.04 -0.73 -0.12 0.00 -0.26 0.00 0.00 60.65 59.59 2eef s ILE 136 Cb -0.25 -3.28 0.09 0.00 1.25 0.00 0.00 42.46 40.26 2eef s ILE 136 CO 0.02 -0.17 1.10 -0.60 0.24 0.00 0.00 174.94 175.54 2eef s ARG 137 N -4.48 1.86 0.15 0.37 3.52 -1.26 -0.92 118.95 118.18 2eef s ARG 137 Ca 0.51 0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 56.64 2eef s ARG 137 Cb -0.10 -1.90 -0.03 0.00 -1.56 0.00 0.00 34.95 31.36 2eef s ARG 137 CO 0.36 -1.76 1.36 0.00 -0.81 0.00 0.00 175.30 174.45 2eef h ALA 138 N -1.19 0.46 0.39 6.12 0.00 -1.33 -3.31 119.26 120.40 2eef h ALA 138 Ca -0.48 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 53.77 2eef h ALA 138 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2eef h ALA 138 CO 0.60 0.77 -0.19 1.05 0.00 0.00 0.00 179.25 181.48 2eef h GLU 139 N 0.30 -0.50 -0.94 0.00 4.11 -1.94 -3.08 114.58 112.53 2eef h GLU 139 Ca -0.05 0.03 0.30 0.00 0.07 0.00 0.00 59.36 59.71 2eef h GLU 139 Cb 1.43 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 30.62 2eef h GLU 139 CO 0.15 -0.21 0.17 1.28 0.07 0.00 0.00 179.01 180.47 2eef n LEU 140 N -5.21 0.03 -3.42 3.06 4.77 -1.25 -4.58 117.00 110.40 2eef n LEU 140 Ca -0.10 1.59 -0.33 0.00 -0.03 0.00 0.00 56.01 57.14 2eef n LEU 140 Cb 0.27 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2eef n LEU 140 CO 0.32 -1.66 -0.41 1.17 -1.33 0.00 0.00 177.39 175.48 2eef n LYS 141 N -5.31 0.00 -3.64 3.23 3.00 -1.17 -4.99 118.16 109.29 2eef n LYS 141 Ca 0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.47 2eef n LYS 141 Cb 0.88 -0.80 -0.07 0.00 0.00 0.00 0.00 35.03 35.04 2eef n LYS 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2eef s SER 142 N -0.80 -0.83 0.60 3.14 0.15 -1.26 -5.09 113.70 109.61 2eef s SER 142 Ca 0.47 1.46 -0.18 0.00 0.70 0.00 0.00 55.95 58.40 2eef s SER 142 Cb -0.47 1.40 -0.10 0.00 -1.71 0.00 0.00 66.02 65.14 2eef s SER 142 CO 0.51 -0.24 0.21 0.41 1.20 0.00 0.00 173.24 175.33 2eef n THR 143 N 3.49 1.22 -3.60 6.45 -1.04 -1.26 -5.01 114.28 114.53 2eef n THR 143 Ca -0.17 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.05 61.26 2eef n THR 143 Cb 0.57 -0.40 -0.06 0.00 -1.82 0.00 0.00 70.33 68.62 2eef n THR 143 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2eef s GLN 144 N -1.81 0.53 0.00 -2.82 0.74 -1.26 -5.19 119.66 109.85 2eef s GLN 144 Ca 0.62 0.30 0.00 0.00 0.05 0.00 0.00 55.36 56.33 2eef s GLN 144 Cb -0.43 0.25 0.00 0.00 1.10 0.00 0.00 33.01 33.93 2eef s GLN 144 CO 0.61 -0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.63 2eef n GLY 145 N 1.29 4.84 3.53 2.59 0.00 -1.26 -5.12 105.19 111.06 2eef n GLY 145 Ca -0.11 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.30 3.69 0.30 1.61 -1.94 -1.26 -4.95 119.30 115.46 2eef s MET 146 Ca 0.00 -0.49 0.26 0.00 -1.71 0.00 0.00 55.69 53.75 2eef s MET 146 Cb 0.00 -3.62 0.82 0.00 2.01 0.00 0.00 34.83 34.04 2eef s MET 146 CO 0.00 -0.28 1.75 1.79 -0.01 0.00 0.00 175.02 178.27 2eef h THR 147 N 5.48 0.00 -1.59 2.05 1.35 -2.08 -3.44 112.91 114.68 2eef h THR 147 Ca -0.34 -0.53 0.10 0.00 -0.55 0.00 0.00 66.41 65.09 2eef h THR 147 Cb 1.17 1.47 -0.26 0.00 -1.73 0.00 0.00 68.15 68.79 2eef h THR 147 CO 0.59 0.00 0.35 -0.75 -0.25 0.00 0.00 175.52 175.46 2eef s LYS 148 N -3.23 0.42 0.01 4.72 2.47 -1.26 -5.14 119.74 117.73 2eef s LYS 148 Ca 0.07 0.71 -0.30 0.00 -1.56 0.00 0.00 55.97 54.89 2eef s LYS 148 Cb 0.10 0.09 -0.06 0.00 -1.46 0.00 0.00 37.83 36.50 2eef s LYS 148 CO 0.56 -0.09 1.44 -1.25 0.16 0.00 0.00 175.35 176.17 2eef s PRO 149 N 1.29 4.27 0.01 4.03 0.04 -1.26 -4.97 135.00 138.40 2eef s PRO 149 Ca -0.08 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 2eef s PRO 149 Cb -0.04 -3.57 -0.05 0.00 0.04 0.00 0.00 34.50 30.88 2eef s PRO 149 CO -0.15 -0.60 1.35 -1.01 0.04 0.00 0.00 177.00 176.63 2eef s HIS 150 N 2.39 3.00 0.69 0.56 3.76 -1.26 -5.00 115.29 119.43 2eef s HIS 150 Ca 0.65 0.94 -0.14 0.00 -0.15 0.00 0.00 55.06 56.37 2eef s HIS 150 Cb -0.33 -3.60 0.02 0.00 1.11 0.00 0.00 32.58 29.78 2eef s HIS 150 CO 0.27 -2.14 1.11 0.45 -0.85 0.00 0.00 174.74 173.59 2eef s SER 151 N 1.67 4.90 0.27 1.40 0.15 -1.26 -5.03 113.70 115.79 2eef s SER 151 Ca 0.62 1.98 -0.04 0.00 0.70 0.00 0.00 55.95 59.20 2eef s SER 151 Cb -0.31 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.41 2eef s SER 151 CO 0.26 -1.77 0.52 -0.83 1.20 0.00 0.00 173.24 172.62 2eef s GLY 152 N -2.75 1.88 0.47 9.45 0.00 -1.26 -5.07 107.32 110.04 2eef s GLY 152 Ca 0.66 -0.59 -0.23 0.00 0.00 0.00 0.00 44.72 44.56 2eef s GLY 152 CO 0.45 -0.50 1.16 2.56 0.00 0.00 0.00 173.10 176.78 2eef s PRO 153 N -3.45 3.73 -1.35 2.90 0.04 -1.26 -3.41 135.00 132.20 2eef s PRO 153 Ca 0.43 1.76 -0.14 0.00 0.04 0.00 0.00 61.00 63.09 2eef s PRO 153 Cb -0.11 -2.38 0.14 0.00 0.04 0.00 0.00 34.50 32.20 2eef s PRO 153 CO 0.29 -0.58 0.35 -3.47 0.04 0.00 0.00 177.00 173.63 2eef n ASP 154 N -0.55 -0.90 -4.59 6.66 2.03 -1.26 -4.67 116.55 113.26 2eef n ASP 154 Ca 0.08 -0.94 -0.57 0.00 0.52 0.00 0.00 54.79 53.88 2eef n ASP 154 Cb 0.48 -1.19 -0.07 0.00 -0.72 0.00 0.00 41.12 39.62 2eef n ASP 154 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2eef n LEU 155 N -3.27 1.08 0.00 -2.67 0.00 -1.22 -5.33 117.00 105.59 2eef n LEU 155 Ca 0.01 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.16 2eef n LEU 155 Cb 0.38 -1.04 0.00 0.00 0.00 0.00 0.00 43.42 42.75 2eef n LEU 155 CO 0.70 -1.25 0.00 0.61 0.00 0.00 0.00 177.39 177.45