#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 -0.39 0.09 1.61 0.01 -1.26 -5.07 113.70 108.69 2eef s SER 2 Ca 0.00 0.71 -0.31 0.00 1.31 0.00 0.00 55.95 57.67 2eef s SER 2 Cb 0.00 0.63 -0.13 0.00 0.21 0.00 0.00 66.02 66.73 2eef s SER 2 CO 0.00 -0.17 1.49 0.28 0.41 0.00 0.00 173.24 175.25 2eef h SER 3 N 6.79 -1.39 -5.07 2.44 0.02 -2.09 -3.47 113.55 110.77 2eef h SER 3 Ca -0.36 0.14 0.09 0.00 -0.84 0.00 0.00 61.79 60.83 2eef h SER 3 Cb 1.17 0.51 -0.06 0.00 0.14 0.00 0.00 62.40 64.16 2eef h SER 3 CO 0.32 -0.50 0.29 -0.83 -1.14 0.00 0.00 176.83 174.98 2eef s GLY 4 N -2.06 -0.15 0.00 -3.77 0.00 -1.26 -5.15 107.32 94.93 2eef s GLY 4 Ca -0.14 -0.15 -0.19 0.00 0.00 0.00 0.00 44.72 44.23 2eef s GLY 4 CO 0.53 -0.05 0.55 -1.35 0.00 0.00 0.00 173.10 172.78 2eef s SER 5 N -2.91 6.94 0.25 1.64 1.04 -1.26 -5.08 113.70 114.31 2eef s SER 5 Ca 0.11 1.12 0.08 0.00 0.48 0.00 0.00 55.95 57.74 2eef s SER 5 Cb -0.05 -2.34 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 2eef s SER 5 CO 0.05 0.17 0.10 -0.94 0.98 0.00 0.00 173.24 173.59 2eef s SER 6 N -0.47 5.07 0.73 7.02 1.04 -1.26 -4.92 113.70 120.91 2eef s SER 6 Ca 0.29 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2eef s SER 6 Cb -0.18 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.79 2eef s SER 6 CO 0.16 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2eef n GLY 7 N -0.94 1.75 2.06 7.32 0.00 -1.26 -3.22 105.19 110.91 2eef n GLY 7 Ca -0.07 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 2eef n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eef n ALA 8 N 9.08 5.61 -2.94 4.61 0.00 -1.26 -4.91 120.51 130.70 2eef n ALA 8 Ca 0.00 -3.44 -0.44 0.00 0.00 0.00 0.00 53.44 49.56 2eef n ALA 8 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 2eef n ALA 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2eef s GLU 9 N -3.62 3.70 -0.27 0.00 2.02 -1.20 -5.00 118.70 114.34 2eef s GLU 9 Ca 0.57 -1.94 -0.24 0.00 0.02 0.00 0.00 54.97 53.37 2eef s GLU 9 Cb 0.46 -4.94 -0.00 0.00 0.10 0.00 0.00 34.13 29.75 2eef s GLU 9 CO 0.02 -1.77 0.83 -1.12 0.02 0.00 0.00 175.26 173.24 2eef s SER 10 N 3.45 6.77 0.51 -0.19 0.01 -1.26 -4.75 113.70 118.24 2eef s SER 10 Ca 0.35 0.90 -0.01 0.00 1.31 0.00 0.00 55.95 58.49 2eef s SER 10 Cb -0.04 -2.43 0.01 0.00 0.21 0.00 0.00 66.02 63.76 2eef s SER 10 CO -0.07 -0.57 0.76 -1.61 0.41 0.00 0.00 173.24 172.16 2eef s GLU 11 N 2.92 2.91 0.38 12.44 2.02 -1.26 -5.11 118.70 133.00 2eef s GLU 11 Ca 0.34 -0.40 0.06 0.00 0.02 0.00 0.00 54.97 54.99 2eef s GLU 11 Cb -0.15 -2.46 -0.00 0.00 0.10 0.00 0.00 34.13 31.63 2eef s GLU 11 CO 0.10 -0.49 0.53 -1.12 0.02 0.00 0.00 175.26 174.30 2eef s SER 12 N -4.29 5.84 0.30 -0.19 0.01 -1.26 -4.89 113.70 109.22 2eef s SER 12 Ca 0.52 -0.19 0.09 0.00 1.31 0.00 0.00 55.95 57.68 2eef s SER 12 Cb -0.10 -1.09 -0.05 0.00 0.21 0.00 0.00 66.02 64.99 2eef s SER 12 CO 0.40 -0.58 0.03 -0.36 0.41 0.00 0.00 173.24 173.14 2eef s PHE 13 N -2.29 2.65 0.36 2.43 0.40 -1.26 -2.15 117.98 118.12 2eef s PHE 13 Ca 0.49 -0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.54 2eef s PHE 13 Cb -0.10 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 2eef s PHE 13 CO 0.33 0.51 0.15 1.33 0.70 0.00 0.00 175.22 178.24 2eef n VAL 14 N -0.97 0.00 -4.36 -0.44 0.24 -0.04 -4.67 118.33 108.09 2eef n VAL 14 Ca -0.05 -2.17 -0.34 0.00 -2.04 0.00 0.00 64.34 59.74 2eef n VAL 14 Cb 0.60 0.82 -0.11 0.00 -1.47 0.00 0.00 33.84 33.68 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 3.42 -0.14 1.34 1.43 -1.26 -2.72 118.68 120.74 2eef s LEU 15 Ca 0.21 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2eef s LEU 15 Cb 0.01 -1.81 0.20 0.00 0.03 0.00 0.00 46.19 44.62 2eef s LEU 15 CO 0.15 0.25 1.36 -0.67 0.23 0.00 0.00 176.35 177.66 2eef n ASP 16 N 3.00 3.53 -3.81 2.29 2.03 -1.21 -4.81 116.55 117.55 2eef n ASP 16 Ca -0.18 -2.52 -0.12 0.00 0.52 0.00 0.00 54.79 52.49 2eef n ASP 16 Cb 0.53 -0.65 -0.10 0.00 -0.72 0.00 0.00 41.12 40.17 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 -1.01 -0.12 0.13 -0.67 -0.12 -1.26 -4.96 117.98 109.97 2eef s PHE 17 Ca 0.17 0.22 -0.28 0.00 -0.05 0.00 0.00 56.93 57.00 2eef s PHE 17 Cb 0.15 0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.50 2eef s PHE 17 CO 0.03 -0.27 0.87 -1.12 -0.05 0.00 0.00 175.22 174.68 2eef s SER 18 N -0.89 7.44 0.02 1.98 0.01 -1.26 -4.96 113.70 116.03 2eef s SER 18 Ca -0.10 1.71 -0.39 0.00 1.31 0.00 0.00 55.95 58.48 2eef s SER 18 Cb -0.05 -2.54 -0.20 0.00 0.21 0.00 0.00 66.02 63.44 2eef s SER 18 CO 0.02 0.06 1.03 0.00 0.41 0.00 0.00 173.24 174.76 2eef n GLN 19 N 2.28 0.01 -0.09 12.44 1.13 -1.26 -4.86 117.38 127.03 2eef n GLN 19 Ca -0.01 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.93 2eef n GLN 19 Cb 0.49 -1.46 0.01 0.00 0.11 0.00 0.00 30.24 29.38 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 2.85 0.86 -0.80 -1.09 0.13 -1.81 -3.09 132.00 129.06 2eef h PRO 20 Ca -0.49 -0.45 0.14 0.00 -0.87 0.00 0.00 66.00 64.33 2eef h PRO 20 Cb 1.43 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.52 2eef h PRO 20 CO 0.64 1.10 0.53 0.66 -0.23 0.00 0.00 178.00 180.70 2eef h SER 21 N 0.70 0.48 -0.69 1.44 4.64 -1.71 -2.34 113.55 116.07 2eef h SER 21 Ca 0.06 0.03 0.27 0.00 -0.47 0.00 0.00 61.79 61.67 2eef h SER 21 Cb 0.97 -0.07 -0.13 0.00 -0.31 0.00 0.00 62.40 62.87 2eef h SER 21 CO 0.09 0.25 0.29 0.00 -0.87 0.00 0.00 176.83 176.59 2eef n ALA 22 N -2.49 0.63 -3.48 5.18 0.00 -1.17 -3.00 120.51 116.19 2eef n ALA 22 Ca 0.15 0.71 -0.40 0.00 0.00 0.00 0.00 53.44 53.91 2eef n ALA 22 Cb 0.50 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 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 -4.75 5.60 0.26 0.00 1.01 -0.88 -4.95 116.67 112.96 2eef s ASP 23 Ca -0.07 -1.75 -0.05 0.00 0.71 0.00 0.00 52.55 51.39 2eef s ASP 23 Cb 0.23 -1.97 0.30 0.00 1.01 0.00 0.00 42.92 42.48 2eef s ASP 23 CO 0.54 -0.60 1.94 0.22 0.21 0.00 0.00 175.17 177.47 2eef h TYR 24 N 8.37 1.22 0.25 4.23 5.03 -1.80 0.44 116.97 134.71 2eef h TYR 24 Ca -0.21 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.12 2eef h TYR 24 Cb 1.07 -0.41 0.00 0.00 1.55 0.00 0.00 36.73 38.94 2eef h TYR 24 CO 0.62 0.77 -0.12 -0.07 -1.32 0.00 0.00 178.16 178.04 2eef h LEU 25 N 1.32 -0.28 -1.84 2.82 -0.00 -1.92 -0.61 115.31 114.80 2eef h LEU 25 Ca 0.35 0.01 0.07 0.00 -0.00 0.00 0.00 57.88 58.32 2eef h LEU 25 Cb -0.15 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 2eef h LEU 25 CO -0.08 0.02 0.47 -0.78 -0.00 0.00 0.00 178.44 178.07 2eef h ASP 26 N -0.77 0.00 0.00 -0.43 1.82 -1.93 -1.10 116.42 114.01 2eef h ASP 26 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2eef h ASP 26 Cb 0.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.26 2eef h ASP 26 CO 0.06 0.00 -0.11 0.15 -1.61 0.00 0.00 179.24 177.73 2eef h PHE 27 N 0.00 0.00 -1.16 0.28 3.04 -0.91 -3.34 116.94 114.84 2eef h PHE 27 Ca 0.12 0.00 0.34 0.00 3.98 0.00 0.00 57.97 62.41 2eef h PHE 27 Cb 1.05 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 39.45 2eef h PHE 27 CO 0.00 0.00 0.75 0.07 -2.02 0.00 0.00 178.31 177.11 2eef h ARG 28 N -0.60 0.24 -0.75 1.11 0.11 -0.66 0.71 114.38 114.54 2eef h ARG 28 Ca 0.00 -0.01 0.08 0.00 0.10 0.00 0.00 59.98 60.15 2eef h ARG 28 Cb 0.11 -0.05 -0.05 0.00 1.11 0.00 0.00 29.97 31.09 2eef h ARG 28 CO 0.00 0.16 0.49 -0.91 0.10 0.00 0.00 179.97 179.81 2eef h ASN 29 N 0.25 0.64 0.65 0.08 2.35 -1.36 -0.49 115.58 117.69 2eef h ASN 29 Ca 0.69 0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 56.25 2eef h ASN 29 Cb 1.98 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 40.21 2eef h ASN 29 CO -0.34 0.40 -0.87 0.03 -1.65 0.00 0.00 177.43 175.00 2eef h ARG 30 N 0.72 0.15 0.00 0.81 2.47 0.30 -0.99 114.38 117.84 2eef h ARG 30 Ca 0.33 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 2eef h ARG 30 Cb 0.36 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2eef h ARG 30 CO -0.12 0.93 0.00 -0.11 0.56 0.00 0.00 179.97 181.23 2eef n LEU 31 N -3.63 0.00 -0.05 3.04 7.94 -0.40 -0.45 117.00 123.45 2eef n LEU 31 Ca -0.03 0.46 -0.04 0.00 -1.11 0.00 0.00 56.01 55.29 2eef n LEU 31 Cb 0.81 -0.46 -0.10 0.00 0.53 0.00 0.00 43.42 44.20 2eef n LEU 31 CO 0.47 -0.04 -0.87 1.67 -1.11 0.00 0.00 177.39 177.51 2eef n GLN 32 N -1.46 1.60 -0.03 1.96 7.27 -0.33 -2.89 117.38 123.50 2eef n GLN 32 Ca 0.08 -0.03 -0.05 0.00 0.07 0.00 0.00 57.00 57.07 2eef n GLN 32 Cb 0.29 -1.33 -0.13 0.00 2.41 0.00 0.00 30.24 31.48 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 1.73 0.16 1.69 0.00 -0.39 -4.41 120.51 116.91 2eef n ALA 33 Ca -0.18 -0.89 0.03 0.00 0.00 0.00 0.00 53.44 52.40 2eef n ALA 33 Cb 0.81 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.83 1.58 -1.56 0.00 -0.08 0.41 -5.00 116.55 109.07 2eef n ASP 34 Ca -0.19 -0.39 -0.14 0.00 -1.51 0.00 0.00 54.79 52.55 2eef n ASP 34 Cb 0.99 1.10 -0.02 0.00 2.34 0.00 0.00 41.12 45.53 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2eef n HIS 35 N -1.34 -0.58 -3.64 -0.67 8.25 -1.08 -4.87 115.22 111.28 2eef n HIS 35 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 2eef n HIS 35 Cb 0.11 -2.97 -0.07 0.00 1.12 0.00 0.00 29.99 28.18 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 -2.69 0.00 -0.29 1.59 0.11 -1.24 -3.36 120.40 114.53 2eef s VAL 36 Ca 0.00 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.85 2eef s VAL 36 Cb 0.00 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.98 2eef s VAL 36 CO 0.00 0.00 0.98 0.00 -3.33 0.00 0.00 175.10 172.75 2eef s LEU 38 N 0.83 4.34 -0.01 0.00 2.96 -1.26 -1.33 118.68 124.22 2eef s LEU 38 Ca -0.03 2.06 -0.00 0.00 -0.22 0.00 0.00 54.13 55.94 2eef s LEU 38 Cb -0.04 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 2eef s LEU 38 CO -0.11 -0.58 0.03 -0.08 -1.32 0.00 0.00 176.35 174.30 2eef h GLU 39 N 7.13 -0.00 -4.12 1.98 4.81 -1.41 -3.39 114.58 119.57 2eef h GLU 39 Ca -0.40 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.55 2eef h GLU 39 Cb 1.20 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.30 2eef h GLU 39 CO 0.85 -0.00 -0.74 0.54 -0.73 0.00 0.00 179.01 178.93 2eef s ASN 40 N -3.12 0.41 -0.20 1.04 4.22 -1.23 -2.65 114.94 113.40 2eef s ASN 40 Ca -0.00 -0.11 -0.03 0.00 -2.14 0.00 0.00 52.86 50.58 2eef s ASN 40 Cb 0.00 -0.03 0.06 0.00 1.28 0.00 0.00 41.25 42.56 2eef s ASN 40 CO 0.00 0.01 0.04 0.00 -2.04 0.00 0.00 177.10 175.11 2eef s VAL 42 N 1.87 3.54 -0.02 0.00 -7.23 0.20 -4.97 120.40 113.80 2eef s VAL 42 Ca -0.00 -1.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 2eef s VAL 42 Cb -0.17 -3.21 -0.00 0.00 0.56 0.00 0.00 36.38 33.56 2eef s VAL 42 CO -0.09 -0.08 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.31 2eef s LEU 43 N -4.26 1.89 0.00 1.32 0.20 -1.26 -1.92 118.68 114.65 2eef s LEU 43 Ca 0.50 -0.17 0.02 0.00 0.69 0.00 0.00 54.13 55.16 2eef s LEU 43 Cb -0.10 -0.50 -0.01 0.00 -0.43 0.00 0.00 46.19 45.15 2eef s LEU 43 CO 0.32 0.08 0.06 0.29 -0.29 0.00 0.00 176.35 176.81 2eef n LYS 44 N 3.09 0.87 -1.58 1.98 4.01 0.87 -4.98 118.16 122.43 2eef n LYS 44 Ca -0.16 -1.76 -0.43 0.00 -0.51 0.00 0.00 58.31 55.45 2eef n LYS 44 Cb 0.55 0.86 -0.03 0.00 -0.51 0.00 0.00 35.03 35.90 2eef n LYS 44 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2eef n ASP 45 N -1.67 3.10 -3.95 4.39 8.00 -1.26 -2.17 116.55 122.98 2eef n ASP 45 Ca -0.04 0.17 -0.32 0.00 0.71 0.00 0.00 54.79 55.31 2eef n ASP 45 Cb 0.31 -1.53 -0.01 0.00 -0.02 0.00 0.00 41.12 39.86 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 8.74 -3.47 -3.58 -1.24 4.01 -1.26 -4.90 118.16 116.46 2eef n LYS 46 Ca 0.31 0.41 -0.10 0.00 -0.51 0.00 0.00 58.31 58.43 2eef n LYS 46 Cb 0.43 -5.16 -0.02 0.00 -0.51 0.00 0.00 35.03 29.78 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2eef s ALA 47 N -3.17 -1.52 0.10 7.82 0.00 -0.92 -1.70 121.76 122.37 2eef s ALA 47 Ca 0.65 0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.82 2eef s ALA 47 Cb -0.35 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 2eef s ALA 47 CO 0.79 -0.86 0.19 0.96 0.00 0.00 0.00 175.76 176.85 2eef s ILE 48 N -3.70 0.14 -0.16 0.00 -4.36 -0.59 -0.09 121.20 112.44 2eef s ILE 48 Ca 0.05 -1.25 -0.20 0.00 -0.26 0.00 0.00 60.65 58.99 2eef s ILE 48 Cb -0.02 -1.43 0.05 0.00 1.25 0.00 0.00 42.46 42.31 2eef s ILE 48 CO -0.06 -0.62 0.53 0.00 0.24 0.00 0.00 174.94 175.03 2eef s ALA 49 N -3.88 -1.32 -0.11 2.27 0.00 -0.81 -2.50 121.76 115.42 2eef s ALA 49 Ca 0.07 1.34 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 2eef s ALA 49 Cb 0.05 -0.65 0.11 0.00 0.00 0.00 0.00 23.12 22.63 2eef s ALA 49 CO -0.09 -0.27 0.89 0.20 0.00 0.00 0.00 175.76 176.48 2eef s GLY 50 N -0.11 -0.38 -0.18 0.00 0.00 -0.96 0.59 107.32 106.28 2eef s GLY 50 Ca -0.03 1.70 -0.04 0.00 0.00 0.00 0.00 44.72 46.34 2eef s GLY 50 CO 0.02 0.93 -0.02 -0.51 0.00 0.00 0.00 173.10 173.53 2eef s THR 51 N -1.36 3.95 -0.09 0.90 -4.23 -0.49 -1.31 115.64 113.02 2eef s THR 51 Ca -0.04 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.11 2eef s THR 51 Cb -0.00 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 2eef s THR 51 CO 0.03 0.46 0.07 -0.69 -0.54 0.00 0.00 174.62 173.96 2eef s VAL 52 N 0.63 4.88 0.05 2.29 1.01 0.88 -0.99 120.40 129.16 2eef s VAL 52 Ca -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2eef s VAL 52 Cb -0.14 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2eef s VAL 52 CO 0.02 0.57 0.02 -0.75 0.00 0.00 0.00 175.10 174.96 2eef s LYS 53 N -1.09 2.73 0.27 2.72 2.47 -0.44 -1.33 119.74 125.06 2eef s LYS 53 Ca 0.16 -0.70 0.02 0.00 -1.56 0.00 0.00 55.97 53.89 2eef s LYS 53 Cb -0.12 -2.64 -0.03 0.00 -1.46 0.00 0.00 37.83 33.58 2eef s LYS 53 CO 0.05 0.58 0.23 0.14 0.16 0.00 0.00 175.35 176.51 2eef s VAL 54 N -1.23 0.00 -0.13 4.02 -7.23 -1.25 -1.80 120.40 112.78 2eef s VAL 54 Ca 0.24 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 2eef s VAL 54 Cb -0.12 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2eef s VAL 54 CO 0.15 0.00 0.03 -1.10 -0.31 0.00 0.00 175.10 173.88 2eef s GLN 55 N -3.77 3.41 -1.12 4.82 -1.52 -1.21 -4.51 119.66 115.75 2eef s GLN 55 Ca 0.39 -0.36 -0.20 0.00 -1.95 0.00 0.00 55.36 53.23 2eef s GLN 55 Cb 0.04 -2.98 -0.06 0.00 -0.22 0.00 0.00 33.01 29.79 2eef s GLN 55 CO 0.20 0.54 1.93 -1.71 -0.25 0.00 0.00 175.29 176.00 2eef n ASN 56 N 2.66 3.37 -0.10 5.90 2.85 -1.26 -4.57 115.26 124.11 2eef n ASN 56 Ca -0.18 -2.75 -0.18 0.00 -0.11 0.00 0.00 54.58 51.35 2eef n ASN 56 Cb 0.53 -1.54 -0.08 0.00 1.24 0.00 0.00 39.78 39.93 2eef n ASN 56 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2eef n LEU 57 N 10.12 1.87 -4.70 1.20 4.77 -1.26 -4.98 117.00 124.02 2eef n LEU 57 Ca 0.48 0.45 -0.26 0.00 -0.03 0.00 0.00 56.01 56.65 2eef n LEU 57 Cb 0.44 -0.89 -0.07 0.00 -2.33 0.00 0.00 43.42 40.56 2eef n LEU 57 CO 0.83 0.10 -0.29 0.00 -1.33 0.00 0.00 177.39 176.70 2eef s ALA 58 N -2.53 3.30 0.16 -1.18 0.00 -1.26 -4.99 121.76 115.26 2eef s ALA 58 Ca -0.27 -1.38 -0.27 0.00 0.00 0.00 0.00 51.96 50.03 2eef s ALA 58 Cb 0.07 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.14 2eef s ALA 58 CO 0.47 0.43 1.56 0.35 0.00 0.00 0.00 175.76 178.57 2eef h PHE 59 N 2.42 -1.43 -1.87 0.00 3.57 -1.99 -3.42 116.94 114.21 2eef h PHE 59 Ca -0.47 0.09 -0.60 0.00 3.53 0.00 0.00 57.97 60.52 2eef h PHE 59 Cb 1.21 0.71 -0.12 0.00 2.79 0.00 0.00 35.95 40.55 2eef h PHE 59 CO 0.62 -0.43 -0.63 -1.21 -2.23 0.00 0.00 178.31 174.43 2eef s GLU 60 N -5.76 1.99 0.29 1.11 0.41 -1.26 -5.15 118.70 110.34 2eef s GLU 60 Ca -0.14 -1.85 -0.04 0.00 -0.41 0.00 0.00 54.97 52.53 2eef s GLU 60 Cb 0.13 -1.83 -0.01 0.00 -1.78 0.00 0.00 34.13 30.63 2eef s GLU 60 CO 0.65 0.10 0.40 -1.59 -0.49 0.00 0.00 175.26 174.33 2eef s LYS 61 N -3.70 1.67 -0.31 1.61 -2.85 -1.26 -4.74 119.74 110.16 2eef s LYS 61 Ca 0.35 -1.62 -0.02 0.00 -1.00 0.00 0.00 55.97 53.68 2eef s LYS 61 Cb 0.02 0.41 0.10 0.00 -2.06 0.00 0.00 37.83 36.30 2eef s LYS 61 CO 0.19 -0.67 0.12 0.99 0.10 0.00 0.00 175.35 176.08 2eef s THR 62 N -3.54 0.58 -0.28 3.79 2.01 -0.88 -5.00 115.64 112.32 2eef s THR 62 Ca 0.31 -1.30 -0.11 0.00 0.31 0.00 0.00 61.69 60.90 2eef s THR 62 Cb 0.01 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 2eef s THR 62 CO 0.16 -0.73 0.18 -0.69 -0.69 0.00 0.00 174.62 172.86 2eef s VAL 63 N 1.65 5.20 -0.04 3.82 1.01 -1.26 -1.86 120.40 128.92 2eef s VAL 63 Ca 0.11 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 2eef s VAL 63 Cb -0.18 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.74 2eef s VAL 63 CO -0.26 0.26 0.12 -0.54 0.00 0.00 0.00 175.10 174.68 2eef s LYS 64 N 1.74 0.13 -0.06 2.72 1.02 -1.10 -2.61 119.74 121.58 2eef s LYS 64 Ca 0.07 0.18 -0.22 0.00 0.02 0.00 0.00 55.97 56.02 2eef s LYS 64 Cb -0.16 0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.15 2eef s LYS 64 CO 0.10 -0.03 0.63 0.42 -0.92 0.00 0.00 175.35 175.55 2eef s ILE 65 N 0.18 5.04 -0.52 2.17 -1.09 -1.01 -2.15 121.20 123.82 2eef s ILE 65 Ca -0.01 1.29 -0.04 0.00 -2.23 0.00 0.00 60.65 59.66 2eef s ILE 65 Cb -0.02 -3.97 0.14 0.00 -1.58 0.00 0.00 42.46 37.03 2eef s ILE 65 CO -0.00 0.31 0.34 -0.13 -1.23 0.00 0.00 174.94 174.22 2eef s ARG 66 N 0.52 2.34 0.09 2.79 1.81 -0.61 -3.03 118.95 122.88 2eef s ARG 66 Ca 0.33 -2.12 0.06 0.00 -1.72 0.00 0.00 55.73 52.28 2eef s ARG 66 Cb -0.17 -3.72 -0.04 0.00 -0.45 0.00 0.00 34.95 30.57 2eef s ARG 66 CO 0.16 -1.14 -0.05 1.41 -0.68 0.00 0.00 175.30 175.00 2eef s MET 67 N 0.65 2.33 0.02 3.54 -2.45 -1.26 -0.04 119.30 122.09 2eef s MET 67 Ca 0.12 -0.93 -0.04 0.00 -1.25 0.00 0.00 55.69 53.59 2eef s MET 67 Cb -0.22 -2.42 -0.01 0.00 1.25 0.00 0.00 34.83 33.43 2eef s MET 67 CO -0.04 0.53 0.06 -0.08 1.05 0.00 0.00 175.02 176.54 2eef s THR 68 N -1.25 0.11 -0.02 10.11 -1.32 0.26 -3.42 115.64 120.10 2eef s THR 68 Ca 0.23 -0.88 0.03 0.00 -1.21 0.00 0.00 61.69 59.86 2eef s THR 68 Cb -0.11 -0.47 0.05 0.00 -1.51 0.00 0.00 72.50 70.45 2eef s THR 68 CO 0.16 -0.49 0.91 0.49 -2.21 0.00 0.00 174.62 173.48 2eef n PHE 69 N 1.35 0.00 -2.75 9.09 3.01 -1.26 -2.18 117.46 124.72 2eef n PHE 69 Ca -0.22 -0.44 -0.15 0.00 1.01 0.00 0.00 57.45 57.64 2eef n PHE 69 Cb 0.56 -0.06 0.01 0.00 -0.01 0.00 0.00 39.48 39.98 2eef n PHE 69 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2eef n ASP 70 N -0.52 2.12 -3.87 4.37 9.92 -1.20 -4.51 116.55 122.87 2eef n ASP 70 Ca 0.03 -3.02 -0.30 0.00 -0.53 0.00 0.00 54.79 50.96 2eef n ASP 70 Cb 0.41 -0.54 0.01 0.00 -0.64 0.00 0.00 41.12 40.36 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2eef n THR 71 N -0.08 -1.54 -2.98 -3.53 -1.04 -1.16 -1.28 114.28 102.67 2eef n THR 71 Ca 0.19 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.08 2eef n THR 71 Cb 0.73 -2.35 0.06 0.00 -1.82 0.00 0.00 70.33 66.95 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 -4.46 -1.50 -0.01 -1.42 7.02 -1.26 -4.95 117.44 110.86 2eef n TRP 72 Ca 0.04 0.61 -0.01 0.00 -1.02 0.00 0.00 57.50 57.12 2eef n TRP 72 Cb 0.52 -3.87 -0.01 0.00 -2.42 0.00 0.00 31.31 25.53 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 -3.08 1.84 -3.45 -0.99 5.02 -0.41 -4.90 118.16 112.19 2eef n LYS 73 Ca -0.14 0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 55.89 2eef n LYS 73 Cb 0.59 -1.04 -0.10 0.00 -0.02 0.00 0.00 35.03 34.46 2eef n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eef n SER 74 N -2.32 0.67 -4.83 4.39 2.88 -1.26 -5.04 113.62 108.11 2eef n SER 74 Ca -0.03 -2.69 -0.26 0.00 -1.33 0.00 0.00 58.87 54.56 2eef n SER 74 Cb 0.55 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 63.34 2eef n SER 74 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2eef s TYR 75 N -0.70 3.21 -0.03 0.66 -0.85 -1.26 -4.36 117.35 114.03 2eef s TYR 75 Ca 0.32 -0.00 0.06 0.00 -0.52 0.00 0.00 57.07 56.93 2eef s TYR 75 Cb 0.06 -1.53 -0.01 0.00 0.38 0.00 0.00 41.96 40.86 2eef s TYR 75 CO -0.16 0.52 -0.22 0.99 -1.52 0.00 0.00 175.55 175.16 2eef s THR 76 N -1.80 1.74 -0.31 -3.49 2.01 -1.22 -5.04 115.64 107.53 2eef s THR 76 Ca 0.32 -0.92 -0.28 0.00 0.31 0.00 0.00 61.69 61.12 2eef s THR 76 Cb -0.10 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 70.96 2eef s THR 76 CO 0.25 0.49 1.02 -1.81 -0.69 0.00 0.00 174.62 173.88 2eef s ASP 77 N -0.33 6.90 -0.22 3.53 1.01 -1.26 -4.29 116.67 122.00 2eef s ASP 77 Ca 0.03 1.01 -0.07 0.00 0.71 0.00 0.00 52.55 54.24 2eef s ASP 77 Cb -0.10 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2eef s ASP 77 CO 0.01 -0.81 0.05 -0.36 0.21 0.00 0.00 175.17 174.26 2eef s PHE 78 N 3.49 3.09 0.12 4.23 0.08 -1.17 -5.02 117.98 122.80 2eef s PHE 78 Ca 0.43 -0.36 -0.31 0.00 0.12 0.00 0.00 56.93 56.81 2eef s PHE 78 Cb -0.13 -2.16 -0.08 0.00 -0.57 0.00 0.00 43.02 40.08 2eef s PHE 78 CO 0.14 -0.25 1.36 -1.25 -0.10 0.00 0.00 175.22 175.12 2eef s PRO 79 N 1.23 4.34 0.17 0.24 0.04 -1.26 -2.41 135.00 137.35 2eef s PRO 79 Ca 0.04 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.94 2eef s PRO 79 Cb -0.15 -3.25 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 2eef s PRO 79 CO 0.03 -0.39 0.65 0.00 0.04 0.00 0.00 177.00 177.32 2eef n GLN 81 N 0.95 0.25 -4.91 0.00 6.02 0.30 -4.81 117.38 115.18 2eef n GLN 81 Ca -0.05 -1.51 -0.33 0.00 -0.01 0.00 0.00 57.00 55.11 2eef n GLN 81 Cb 0.51 -0.35 -0.14 0.00 1.02 0.00 0.00 30.24 31.28 2eef n GLN 81 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2eef s TYR 82 N -1.55 2.71 -0.24 1.08 6.14 -1.26 -0.15 117.35 124.07 2eef s TYR 82 Ca 0.36 -0.51 -0.17 0.00 0.64 0.00 0.00 57.07 57.39 2eef s TYR 82 Cb -0.02 -1.73 -0.03 0.00 0.42 0.00 0.00 41.96 40.60 2eef s TYR 82 CO 0.24 -0.09 0.45 0.08 0.64 0.00 0.00 175.55 176.87 2eef s VAL 83 N -0.09 5.13 -0.39 3.14 1.01 -0.00 -4.80 120.40 124.40 2eef s VAL 83 Ca -0.03 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.72 2eef s VAL 83 Cb -0.14 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.59 2eef s VAL 83 CO 0.04 0.15 0.18 -0.75 0.00 0.00 0.00 175.10 174.72 2eef s LYS 84 N 1.94 1.07 0.24 2.72 2.20 -1.26 -4.65 119.74 122.00 2eef s LYS 84 Ca 0.19 -1.65 -0.13 0.00 -0.36 0.00 0.00 55.97 54.01 2eef s LYS 84 Cb -0.15 -2.22 -0.00 0.00 -1.51 0.00 0.00 37.83 33.95 2eef s LYS 84 CO 0.09 -1.09 0.49 0.34 -0.36 0.00 0.00 175.35 174.82 2eef s ASP 85 N 0.84 -0.11 0.44 1.43 -1.08 -1.26 -5.04 116.67 111.90 2eef s ASP 85 Ca 0.15 -0.88 0.10 0.00 -0.52 0.00 0.00 52.55 51.39 2eef s ASP 85 Cb -0.22 0.59 0.98 0.00 -1.46 0.00 0.00 42.92 42.81 2eef s ASP 85 CO -0.08 -1.14 2.08 0.00 0.52 0.00 0.00 175.17 176.55 2eef h THR 86 N 2.25 1.08 -0.84 1.71 1.03 -2.03 -2.93 112.91 113.17 2eef h THR 86 Ca -0.26 -0.16 -0.54 0.00 -0.01 0.00 0.00 66.41 65.44 2eef h THR 86 Cb 1.25 0.68 -0.13 0.00 -1.07 0.00 0.00 68.15 68.89 2eef h THR 86 CO 0.35 0.08 1.16 -1.22 -0.01 0.00 0.00 175.52 175.88 2eef n TYR 87 N -4.48 1.71 -3.70 0.00 4.01 -1.26 -4.85 117.16 108.59 2eef n TYR 87 Ca 0.01 -2.23 -0.14 0.00 -0.16 0.00 0.00 57.90 55.38 2eef n TYR 87 Cb 0.08 -1.64 -0.09 0.00 -0.31 0.00 0.00 39.34 37.38 2eef n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2eef s ALA 88 N -0.81 -1.10 0.01 -0.72 0.00 -1.11 -5.10 121.76 112.94 2eef s ALA 88 Ca 0.60 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 53.15 2eef s ALA 88 Cb 0.30 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 2eef s ALA 88 CO -0.14 -0.26 1.36 0.20 0.00 0.00 0.00 175.76 176.93 2eef s GLY 89 N -0.65 1.94 0.09 0.00 0.00 -1.26 -4.94 107.32 102.49 2eef s GLY 89 Ca -0.08 0.89 -0.34 0.00 0.00 0.00 0.00 44.72 45.19 2eef s GLY 89 CO 0.04 2.43 1.58 1.76 0.00 0.00 0.00 173.10 178.91 2eef h SER 90 N 7.58 -1.21 -0.07 1.64 0.02 -1.96 -3.16 113.55 116.39 2eef h SER 90 Ca -0.38 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 2eef h SER 90 Cb 1.18 0.40 -0.00 0.00 0.14 0.00 0.00 62.40 64.12 2eef h SER 90 CO 0.89 -0.61 -0.05 0.44 -1.14 0.00 0.00 176.83 176.36 2eef h ASP 91 N -0.91 0.17 -2.58 3.07 5.19 -2.04 -3.42 116.42 115.89 2eef h ASP 91 Ca -0.05 -0.45 -0.58 0.00 -0.62 0.00 0.00 57.03 55.33 2eef h ASP 91 Cb 0.80 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 2eef h ASP 91 CO -0.06 0.58 1.28 -0.13 -3.12 0.00 0.00 179.24 177.80 2eef s ARG 92 N -4.40 3.40 -0.54 3.56 0.52 -1.19 -4.86 118.95 115.45 2eef s ARG 92 Ca -0.15 1.59 -0.28 0.00 -0.52 0.00 0.00 55.73 56.37 2eef s ARG 92 Cb 0.03 -4.20 0.02 0.00 0.52 0.00 0.00 34.95 31.33 2eef s ARG 92 CO 0.71 -1.77 1.29 -0.51 0.02 0.00 0.00 175.30 175.03 2eef s ASP 93 N 6.06 6.35 -0.25 0.23 1.11 -1.26 -4.23 116.67 124.68 2eef s ASP 93 Ca 0.82 0.32 -0.14 0.00 0.18 0.00 0.00 52.55 53.72 2eef s ASP 93 Cb -0.25 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.15 2eef s ASP 93 CO 0.34 -1.52 0.34 -0.89 1.18 0.00 0.00 175.17 174.61 2eef s THR 94 N 5.31 5.22 0.23 -1.27 2.01 -1.26 -3.87 115.64 122.01 2eef s THR 94 Ca 0.49 0.52 0.06 0.00 0.31 0.00 0.00 61.69 63.08 2eef s THR 94 Cb -0.09 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2eef s THR 94 CO 0.27 0.21 0.22 -0.36 -0.69 0.00 0.00 174.62 174.28 2eef s PHE 95 N 1.72 3.20 0.38 4.92 0.40 -0.44 -0.82 117.98 127.33 2eef s PHE 95 Ca 0.14 -0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.46 2eef s PHE 95 Cb -0.15 -1.46 -0.07 0.00 0.51 0.00 0.00 43.02 41.84 2eef s PHE 95 CO 0.09 0.51 0.03 0.45 0.70 0.00 0.00 175.22 176.99 2eef s SER 96 N -3.72 3.26 -0.20 1.36 0.15 0.79 -0.08 113.70 115.26 2eef s SER 96 Ca 0.33 -1.38 -0.13 0.00 0.70 0.00 0.00 55.95 55.47 2eef s SER 96 Cb -0.09 -0.24 0.06 0.00 -1.71 0.00 0.00 66.02 64.04 2eef s SER 96 CO 0.26 -0.53 0.51 0.72 1.20 0.00 0.00 173.24 175.40 2eef s PHE 97 N -2.96 -0.72 -0.26 3.44 -0.12 -0.43 0.11 117.98 117.05 2eef s PHE 97 Ca 0.35 1.53 -0.00 0.00 -0.05 0.00 0.00 56.93 58.76 2eef s PHE 97 Cb 0.09 0.35 0.08 0.00 -0.63 0.00 0.00 43.02 42.91 2eef s PHE 97 CO 0.17 -0.38 0.02 0.16 -0.05 0.00 0.00 175.22 175.14 2eef s ASP 98 N 1.22 3.81 -0.08 1.98 -4.77 -1.26 -2.26 116.67 115.30 2eef s ASP 98 Ca -0.08 -1.35 -0.02 0.00 -3.30 0.00 0.00 52.55 47.81 2eef s ASP 98 Cb -0.06 -1.01 -0.03 0.00 -1.09 0.00 0.00 42.92 40.72 2eef s ASP 98 CO -0.12 -0.32 0.01 -0.63 0.70 0.00 0.00 175.17 174.82 2eef s ILE 99 N 1.50 4.39 -0.71 2.11 1.01 -1.04 -5.00 121.20 123.46 2eef s ILE 99 Ca 0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 2eef s ILE 99 Cb -0.18 -2.86 0.18 0.00 0.01 0.00 0.00 42.46 39.61 2eef s ILE 99 CO -0.12 0.59 0.64 -0.44 0.00 0.00 0.00 174.94 175.61 2eef s SER 100 N -0.95 6.41 0.55 3.58 0.01 -1.26 -1.54 113.70 120.50 2eef s SER 100 Ca 0.14 -2.42 -0.14 0.00 1.31 0.00 0.00 55.95 54.83 2eef s SER 100 Cb -0.11 -2.17 -0.12 0.00 0.21 0.00 0.00 66.02 63.83 2eef s SER 100 CO 0.03 -0.64 -0.30 0.18 0.41 0.00 0.00 173.24 172.92 2eef n LEU 101 N 4.32 -3.67 -4.67 2.44 4.77 -0.69 -4.91 117.00 114.60 2eef n LEU 101 Ca 0.05 0.39 -0.29 0.00 -0.03 0.00 0.00 56.01 56.13 2eef n LEU 101 Cb 0.44 -0.66 0.18 0.00 -2.33 0.00 0.00 43.42 41.05 2eef n LEU 101 CO 0.39 -4.25 0.64 -2.16 -1.33 0.00 0.00 177.39 170.68 2eef s PRO 102 N -1.11 0.26 0.18 3.23 0.04 -1.26 -4.82 135.00 131.52 2eef s PRO 102 Ca 0.41 0.46 -0.08 0.00 0.04 0.00 0.00 61.00 61.83 2eef s PRO 102 Cb -0.31 -1.72 0.24 0.00 0.04 0.00 0.00 34.50 32.75 2eef s PRO 102 CO 0.58 -2.84 1.06 -0.85 0.04 0.00 0.00 177.00 175.00 2eef n GLU 103 N -4.24 -0.11 -3.71 4.56 0.28 -1.26 -4.63 120.64 111.54 2eef n GLU 103 Ca 0.05 1.06 -0.10 0.00 -0.16 0.00 0.00 57.16 58.01 2eef n GLU 103 Cb 0.57 -1.57 -0.04 0.00 1.43 0.00 0.00 31.44 31.83 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 -5.76 1.35 -0.02 3.44 1.02 -1.26 -5.06 119.74 113.45 2eef s LYS 104 Ca -0.10 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.10 2eef s LYS 104 Cb 0.16 0.52 -0.00 0.00 -0.52 0.00 0.00 37.83 37.99 2eef s LYS 104 CO 0.51 -0.57 -0.11 0.42 -0.92 0.00 0.00 175.35 174.68 2eef s ILE 105 N -3.86 0.89 0.00 2.17 1.01 -1.26 -5.01 121.20 115.14 2eef s ILE 105 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2eef s ILE 105 Cb -0.01 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2eef s ILE 105 CO -0.04 0.26 0.00 0.00 0.00 0.00 0.00 174.94 175.16 2eef n GLN 106 N 3.00 2.01 -3.50 2.79 6.02 -1.26 -5.04 117.38 121.40 2eef n GLN 106 Ca -0.16 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.62 2eef n GLN 106 Cb 0.55 -0.85 0.08 0.00 1.02 0.00 0.00 30.24 31.03 2eef n GLN 106 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2eef n SER 107 N -1.18 -5.61 0.17 1.08 2.88 -1.26 -4.93 113.62 104.78 2eef n SER 107 Ca 0.00 -0.51 -0.14 0.00 -1.33 0.00 0.00 58.87 56.89 2eef n SER 107 Cb 0.08 -4.74 -0.08 0.00 -0.75 0.00 0.00 64.21 58.72 2eef n SER 107 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 2eef h TYR 108 N -2.44 -0.41 0.00 0.66 -0.00 -1.96 -3.41 116.97 109.41 2eef h TYR 108 Ca -0.53 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.19 2eef h TYR 108 Cb 1.34 0.14 0.00 0.00 0.00 0.00 0.00 36.73 38.21 2eef h TYR 108 CO 0.46 -0.11 0.00 0.39 -0.00 0.00 0.00 178.16 178.90 2eef n GLU 109 N -5.17 0.00 -3.58 0.10 4.71 -1.26 -5.08 120.64 110.36 2eef n GLU 109 Ca -0.10 0.08 -0.15 0.00 -0.01 0.00 0.00 57.16 56.98 2eef n GLU 109 Cb 0.26 -0.43 -0.06 0.00 -1.01 0.00 0.00 31.44 30.20 2eef n GLU 109 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2eef s ARG 110 N -0.27 0.86 -0.12 3.49 6.06 -1.26 -4.89 118.95 122.81 2eef s ARG 110 Ca 0.00 0.53 -0.04 0.00 -2.50 0.00 0.00 55.73 53.72 2eef s ARG 110 Cb 0.00 0.41 0.05 0.00 0.06 0.00 0.00 34.95 35.48 2eef s ARG 110 CO 0.00 -0.20 0.11 1.41 -2.50 0.00 0.00 175.30 174.12 2eef s MET 111 N -0.50 0.03 0.27 5.12 -2.45 -1.26 -3.01 119.30 117.50 2eef s MET 111 Ca -0.05 0.22 -0.19 0.00 -1.25 0.00 0.00 55.69 54.42 2eef s MET 111 Cb -0.02 -1.05 0.01 0.00 1.25 0.00 0.00 34.83 35.02 2eef s MET 111 CO 0.04 -0.50 0.66 -1.21 1.05 0.00 0.00 175.02 175.07 2eef s GLU 112 N 2.21 1.73 -0.08 4.11 2.02 -0.93 -3.65 118.70 124.11 2eef s GLU 112 Ca 0.04 -1.04 -0.13 0.00 0.02 0.00 0.00 54.97 53.86 2eef s GLU 112 Cb -0.14 0.58 0.03 0.00 0.10 0.00 0.00 34.13 34.70 2eef s GLU 112 CO -0.07 -0.78 0.32 -0.59 0.02 0.00 0.00 175.26 174.16 2eef s PHE 113 N -3.94 -0.28 -0.01 1.61 -0.12 -1.23 -0.58 117.98 113.43 2eef s PHE 113 Ca 0.13 0.63 0.05 0.00 -0.05 0.00 0.00 56.93 57.69 2eef s PHE 113 Cb -0.05 0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.44 2eef s PHE 113 CO 0.07 -0.26 -0.15 0.00 -0.05 0.00 0.00 175.22 174.84 2eef s ALA 114 N -0.43 1.23 0.31 1.99 0.00 0.94 -4.03 121.76 121.78 2eef s ALA 114 Ca -0.05 -0.64 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 2eef s ALA 114 Cb -0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 23.12 22.68 2eef s ALA 114 CO 0.02 0.30 1.02 0.08 0.00 0.00 0.00 175.76 177.18 2eef s VAL 115 N -0.36 3.82 -0.38 0.00 1.01 -1.11 -1.57 120.40 121.82 2eef s VAL 115 Ca 0.06 1.64 0.02 0.00 0.00 0.00 0.00 61.98 63.69 2eef s VAL 115 Cb -0.06 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 32.47 2eef s VAL 115 CO -0.01 0.24 0.15 -0.47 0.00 0.00 0.00 175.10 175.02 2eef s TYR 116 N -1.40 2.39 -0.42 5.22 5.04 -0.92 -2.36 117.35 124.91 2eef s TYR 116 Ca 0.49 -2.40 -0.15 0.00 -2.44 0.00 0.00 57.07 52.57 2eef s TYR 116 Cb -0.25 -2.15 0.03 0.00 0.35 0.00 0.00 41.96 39.94 2eef s TYR 116 CO 0.32 -0.85 0.32 -0.47 -1.34 0.00 0.00 175.55 173.53 2eef s TYR 117 N 0.83 3.24 -0.08 4.97 5.04 -0.73 -2.70 117.35 127.93 2eef s TYR 117 Ca 0.13 -0.69 -0.12 0.00 -2.44 0.00 0.00 57.07 53.95 2eef s TYR 117 Cb -0.21 -2.72 -0.05 0.00 0.35 0.00 0.00 41.96 39.33 2eef s TYR 117 CO -0.10 -0.64 0.30 -2.00 -1.34 0.00 0.00 175.55 171.76 2eef s GLU 118 N 1.66 3.87 -0.19 4.97 -6.30 -0.78 -1.99 118.70 119.95 2eef s GLU 118 Ca 0.05 0.16 -0.31 0.00 -2.50 0.00 0.00 54.97 52.37 2eef s GLU 118 Cb -0.20 -3.27 0.15 0.00 0.00 0.00 0.00 34.13 30.80 2eef s GLU 118 CO 0.09 0.59 1.13 0.00 0.02 0.00 0.00 175.26 177.09 2eef n ASN 120 N 0.44 -1.61 -2.92 0.00 3.02 -1.26 0.52 115.26 113.45 2eef n ASN 120 Ca -0.05 -1.06 -0.20 0.00 -0.03 0.00 0.00 54.58 53.23 2eef n ASN 120 Cb 0.59 -2.63 0.01 0.00 -0.61 0.00 0.00 39.78 37.14 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 -1.74 -0.50 3.60 7.41 0.00 -1.26 -4.96 105.19 107.74 2eef n GLY 121 Ca -0.11 0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.57 2.04 -0.11 1.61 -1.52 0.18 -5.16 119.66 111.14 2eef s GLN 122 Ca 0.23 -2.27 -0.04 0.00 -1.95 0.00 0.00 55.36 51.32 2eef s GLN 122 Cb -0.11 -0.88 0.06 0.00 -0.22 0.00 0.00 33.01 31.86 2eef s GLN 122 CO 0.28 -0.47 0.22 0.99 -0.25 0.00 0.00 175.29 176.06 2eef s THR 123 N -3.09 -0.29 -0.11 -0.19 2.01 -1.26 -2.92 115.64 109.78 2eef s THR 123 Ca 0.17 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.46 2eef s THR 123 Cb 0.02 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.14 2eef s THR 123 CO 0.11 0.12 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.69 2eef s TYR 124 N 2.15 2.76 -0.24 4.92 2.02 -0.84 -5.00 117.35 123.11 2eef s TYR 124 Ca -0.00 -0.64 0.00 0.00 -0.37 0.00 0.00 57.07 56.06 2eef s TYR 124 Cb -0.12 -1.80 0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2eef s TYR 124 CO -0.08 -0.19 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.02 2eef s TRP 125 N 0.21 3.07 -0.48 2.71 0.52 -1.26 -1.77 118.94 121.94 2eef s TRP 125 Ca -0.09 -1.83 -0.15 0.00 0.02 0.00 0.00 56.10 54.04 2eef s TRP 125 Cb -0.16 -1.99 0.08 0.00 -1.15 0.00 0.00 33.47 30.26 2eef s TRP 125 CO 0.06 -0.80 0.40 0.34 0.02 0.00 0.00 176.95 176.97 2eef s ASP 126 N 1.24 6.13 -0.43 2.95 2.15 -0.99 -4.94 116.67 122.77 2eef s ASP 126 Ca -0.02 -1.40 0.03 0.00 0.43 0.00 0.00 52.55 51.59 2eef s ASP 126 Cb -0.17 -2.18 0.12 0.00 -0.30 0.00 0.00 42.92 40.40 2eef s ASP 126 CO -0.07 -0.67 0.20 -0.94 -0.17 0.00 0.00 175.17 173.52 2eef s SER 127 N 2.71 4.12 -0.11 -0.34 1.04 -1.26 -2.75 113.70 117.10 2eef s SER 127 Ca 0.04 -2.56 -0.01 0.00 0.48 0.00 0.00 55.95 53.89 2eef s SER 127 Cb -0.25 -1.33 0.01 0.00 0.10 0.00 0.00 66.02 64.56 2eef s SER 127 CO 0.06 -0.29 0.03 0.59 0.98 0.00 0.00 173.24 174.61 2eef n ASN 128 N 3.67 -0.86 -2.66 7.02 4.13 -1.26 -0.60 115.26 124.70 2eef n ASN 128 Ca 0.05 0.31 -0.13 0.00 1.68 0.00 0.00 54.58 56.49 2eef n ASN 128 Cb 0.36 -0.85 -0.02 0.00 -1.54 0.00 0.00 39.78 37.73 2eef n ASN 128 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2eef n ARG 129 N -2.13 -1.79 0.00 3.52 5.12 -1.26 -4.26 116.66 115.87 2eef n ARG 129 Ca 0.01 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2eef n ARG 129 Cb 0.40 -3.33 0.00 0.00 -1.16 0.00 0.00 32.46 28.37 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2eef n GLY 130 N -0.58 -0.84 0.00 -0.13 0.00 0.23 -5.09 105.19 98.78 2eef n GLY 130 Ca 0.03 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 -3.60 1.61 4.76 -1.26 -5.02 118.16 114.65 2eef n LYS 131 Ca 0.00 0.07 -0.04 0.00 -2.87 0.00 0.00 58.31 55.47 2eef n LYS 131 Cb 0.00 -0.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.80 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 -2.14 -0.13 -0.45 4.39 2.20 -1.26 -4.84 114.94 112.72 2eef s ASN 132 Ca 0.00 0.02 -0.27 0.00 -0.94 0.00 0.00 52.86 51.66 2eef s ASN 132 Cb 0.00 0.13 -0.02 0.00 -2.00 0.00 0.00 41.25 39.36 2eef s ASN 132 CO 0.00 -0.20 1.88 -0.31 -2.94 0.00 0.00 177.10 175.53 2eef s TYR 133 N -2.22 1.68 0.00 1.54 2.02 -1.26 -4.71 117.35 114.40 2eef s TYR 133 Ca 0.09 0.77 -0.21 0.00 -0.37 0.00 0.00 57.07 57.34 2eef s TYR 133 Cb -0.01 -4.06 -0.05 0.00 -0.40 0.00 0.00 41.96 37.43 2eef s TYR 133 CO -0.04 -2.69 0.62 0.50 -1.57 0.00 0.00 175.55 172.37 2eef s ARG 134 N 6.40 4.35 -0.28 -0.62 3.52 -1.26 -3.57 118.95 127.48 2eef s ARG 134 Ca 0.77 0.79 0.03 0.00 -0.13 0.00 0.00 55.73 57.18 2eef s ARG 134 Cb -0.18 -3.35 0.07 0.00 -1.56 0.00 0.00 34.95 29.93 2eef s ARG 134 CO 0.28 0.35 -0.07 0.42 -0.81 0.00 0.00 175.30 175.48 2eef s ILE 135 N -0.17 2.29 0.46 4.11 1.01 -1.24 -3.34 121.20 124.33 2eef s ILE 135 Ca 0.32 -1.74 0.08 0.00 0.00 0.00 0.00 60.65 59.31 2eef s ILE 135 Cb -0.19 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.89 2eef s ILE 135 CO 0.18 -0.15 0.49 0.27 0.00 0.00 0.00 174.94 175.74 2eef s ILE 136 N 1.08 2.48 0.47 2.92 -4.36 -1.10 -4.94 121.20 117.74 2eef s ILE 136 Ca -0.05 -1.24 -0.03 0.00 -0.26 0.00 0.00 60.65 59.08 2eef s ILE 136 Cb -0.20 -2.72 -0.02 0.00 1.25 0.00 0.00 42.46 40.78 2eef s ILE 136 CO -0.05 0.00 0.73 -0.60 0.24 0.00 0.00 174.94 175.26 2eef s ARG 137 N -4.29 3.26 0.32 0.37 3.52 -1.26 -0.86 118.95 120.01 2eef s ARG 137 Ca 0.50 -0.16 0.16 0.00 -0.13 0.00 0.00 55.73 56.10 2eef s ARG 137 Cb -0.05 -2.47 0.42 0.00 -1.56 0.00 0.00 34.95 31.29 2eef s ARG 137 CO 0.30 -0.25 1.61 0.00 -0.81 0.00 0.00 175.30 176.14 2eef h ALA 138 N 0.30 0.85 0.00 6.12 0.00 -1.70 -2.25 119.26 122.58 2eef h ALA 138 Ca -0.47 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 53.98 2eef h ALA 138 Cb 1.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2eef h ALA 138 CO 0.60 0.61 -0.08 1.05 0.00 0.00 0.00 179.25 181.43 2eef h GLU 139 N 0.00 0.00 0.02 0.00 4.11 -1.95 -3.25 114.58 113.51 2eef h GLU 139 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.09 2eef h GLU 139 Cb 1.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 2eef h GLU 139 CO 0.06 0.08 -1.87 1.28 0.07 0.00 0.00 179.01 178.63 2eef n LEU 140 N -3.20 2.12 -4.51 3.06 4.77 -1.13 -4.65 117.00 113.46 2eef n LEU 140 Ca 0.01 0.31 -0.39 0.00 -0.03 0.00 0.00 56.01 55.91 2eef n LEU 140 Cb 0.36 -0.95 -0.12 0.00 -2.33 0.00 0.00 43.42 40.38 2eef n LEU 140 CO 0.30 0.52 2.16 1.17 -1.33 0.00 0.00 177.39 180.21 2eef n LYS 141 N -4.12 0.26 -3.75 3.23 0.00 -0.86 -4.87 118.16 108.06 2eef n LYS 141 Ca -0.40 -0.01 -0.37 0.00 0.00 0.00 0.00 58.31 57.53 2eef n LYS 141 Cb 0.83 -1.99 -0.12 0.00 0.00 0.00 0.00 35.03 33.74 2eef n LYS 141 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2eef s SER 142 N 9.51 5.16 0.13 3.14 1.04 -1.26 -4.97 113.70 126.45 2eef s SER 142 Ca 1.26 -0.28 -0.35 0.00 0.48 0.00 0.00 55.95 57.06 2eef s SER 142 Cb -0.96 -1.93 -0.15 0.00 0.10 0.00 0.00 66.02 63.08 2eef s SER 142 CO 0.43 -0.06 1.40 1.07 0.98 0.00 0.00 173.24 177.06 2eef n THR 143 N 4.92 0.18 -3.11 2.02 5.66 -1.26 -4.94 114.28 117.75 2eef n THR 143 Ca -0.16 -0.05 -0.37 0.00 -3.05 0.00 0.00 64.05 60.43 2eef n THR 143 Cb 0.51 -1.11 -0.06 0.00 -1.55 0.00 0.00 70.33 68.12 2eef n THR 143 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2eef s GLN 144 N 0.45 4.29 -0.41 1.09 2.00 -1.26 -5.02 119.66 120.79 2eef s GLN 144 Ca 0.80 0.89 0.09 0.00 -2.00 0.00 0.00 55.36 55.13 2eef s GLN 144 Cb -0.83 -2.98 0.29 0.00 0.80 0.00 0.00 33.01 30.29 2eef s GLN 144 CO 0.45 0.45 0.74 0.41 -0.50 0.00 0.00 175.29 176.84 2eef n GLY 145 N 0.97 2.24 3.32 2.59 0.00 -1.26 -5.12 105.19 107.92 2eef n GLY 145 Ca -0.04 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 2eef n GLY 145 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2eef s MET 146 N -1.00 1.28 -0.06 1.61 0.00 -1.26 -5.09 119.30 114.78 2eef s MET 146 Ca 0.34 -1.63 -0.41 0.00 0.00 0.00 0.00 55.69 54.00 2eef s MET 146 Cb 0.25 -0.66 -0.20 0.00 0.00 0.00 0.00 34.83 34.22 2eef s MET 146 CO -0.12 -0.04 1.13 -2.37 0.00 0.00 0.00 175.02 173.62 2eef n THR 147 N -0.37 0.00 -4.80 10.11 5.66 -1.26 -4.95 114.28 118.67 2eef n THR 147 Ca -0.06 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.63 2eef n THR 147 Cb 0.63 -0.06 -0.14 0.00 -1.55 0.00 0.00 70.33 69.21 2eef n THR 147 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2eef s LYS 148 N 0.38 1.96 -0.09 1.09 0.00 -1.26 -5.10 119.74 116.72 2eef s LYS 148 Ca 0.92 -1.03 -0.30 0.00 0.00 0.00 0.00 55.97 55.56 2eef s LYS 148 Cb -1.29 -2.09 -0.04 0.00 0.00 0.00 0.00 37.83 34.41 2eef s LYS 148 CO 0.60 0.53 1.52 -1.25 0.00 0.00 0.00 175.35 176.74 2eef s PRO 149 N -1.31 4.20 0.75 1.78 0.04 -1.26 -4.96 135.00 134.25 2eef s PRO 149 Ca 0.13 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 2eef s PRO 149 Cb -0.10 -3.89 -0.14 0.00 0.04 0.00 0.00 34.50 30.41 2eef s PRO 149 CO 0.03 -0.79 -0.36 1.58 0.04 0.00 0.00 177.00 177.51 2eef n HIS 150 N 6.86 -3.73 -3.84 0.56 -0.00 -1.26 -5.00 115.22 108.81 2eef n HIS 150 Ca 0.16 0.22 -0.11 0.00 0.46 0.00 0.00 57.72 58.45 2eef n HIS 150 Cb 0.43 -1.60 -0.09 0.00 -0.12 0.00 0.00 29.99 28.62 2eef n HIS 150 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2eef s SER 151 N -1.06 -0.02 0.00 0.26 0.15 -1.26 -5.15 113.70 106.63 2eef s SER 151 Ca 0.50 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2eef s SER 151 Cb -0.34 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2eef s SER 151 CO 0.73 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2eef n GLY 152 N 1.16 -0.50 3.77 9.45 0.00 -1.26 -5.14 105.19 112.66 2eef n GLY 152 Ca -0.21 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 2eef n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eef s PRO 153 N -1.91 2.66 -0.50 1.61 0.04 -1.26 -4.98 135.00 130.66 2eef s PRO 153 Ca 0.00 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.40 2eef s PRO 153 Cb 0.00 -1.94 0.43 0.00 0.04 0.00 0.00 34.50 33.04 2eef s PRO 153 CO 0.00 -1.35 1.53 -3.47 0.04 0.00 0.00 177.00 173.75 2eef n ASP 154 N -2.70 6.04 -4.76 6.66 2.03 -1.26 -5.04 116.55 117.53 2eef n ASP 154 Ca 0.10 -3.77 -0.41 0.00 0.52 0.00 0.00 54.79 51.23 2eef n ASP 154 Cb 0.52 -0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 40.26 2eef n ASP 154 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2eef s LEU 155 N -3.72 4.41 0.00 -2.67 0.20 -1.26 -5.36 118.68 110.28 2eef s LEU 155 Ca 0.55 2.67 0.00 0.00 0.69 0.00 0.00 54.13 58.03 2eef s LEU 155 Cb 0.44 -3.64 0.00 0.00 -0.43 0.00 0.00 46.19 42.56 2eef s LEU 155 CO -0.08 -0.60 0.00 0.61 -0.29 0.00 0.00 176.35 175.99