#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef n SER 2 N 0.00 -2.19 -4.11 1.61 7.64 -1.26 -4.91 113.62 110.39 2eef n SER 2 Ca 0.00 -1.10 -0.10 0.00 1.01 0.00 0.00 58.87 58.67 2eef n SER 2 Cb 0.00 -2.35 -0.09 0.00 -1.01 0.00 0.00 64.21 60.76 2eef n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2eef s SER 3 N -3.49 0.16 -1.13 6.43 0.01 -1.26 -5.08 113.70 109.34 2eef s SER 3 Ca 0.63 -1.17 -0.21 0.00 1.31 0.00 0.00 55.95 56.51 2eef s SER 3 Cb -0.35 0.38 0.02 0.00 0.21 0.00 0.00 66.02 66.28 2eef s SER 3 CO 0.96 -0.84 1.70 -0.83 0.41 0.00 0.00 173.24 174.64 2eef s GLY 4 N -3.06 1.08 -0.21 3.44 0.00 -1.26 -4.81 107.32 102.49 2eef s GLY 4 Ca 0.27 -2.39 -0.01 0.00 0.00 0.00 0.00 44.72 42.59 2eef s GLY 4 CO 0.05 2.95 2.24 -1.26 0.00 0.00 0.00 173.10 177.08 2eef n SER 5 N 10.27 6.05 -4.66 1.64 2.88 -1.26 -4.96 113.62 123.57 2eef n SER 5 Ca 0.42 -2.84 -0.41 0.00 -1.33 0.00 0.00 58.87 54.71 2eef n SER 5 Cb 0.48 -1.13 0.01 0.00 -0.75 0.00 0.00 64.21 62.82 2eef n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2eef n SER 6 N 0.92 2.00 0.00 -3.46 2.88 -1.26 -4.30 113.62 110.41 2eef n SER 6 Ca 0.25 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 2eef n SER 6 Cb 0.58 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2eef n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eef n GLY 7 N 0.97 1.38 2.44 0.46 0.00 -1.26 -4.96 105.19 104.22 2eef n GLY 7 Ca 0.08 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 -0.53 -3.54 4.61 0.00 -1.26 -4.98 120.51 114.80 2eef n ALA 8 Ca 0.00 0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.20 2eef n ALA 8 Cb 0.00 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.02 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 -5.17 3.33 0.29 0.00 2.02 -1.26 -4.91 118.70 113.00 2eef s GLU 9 Ca 0.17 -2.92 -0.07 0.00 0.02 0.00 0.00 54.97 52.17 2eef s GLU 9 Cb -0.07 -4.10 -0.00 0.00 0.10 0.00 0.00 34.13 30.05 2eef s GLU 9 CO 0.21 -1.24 0.45 0.45 0.02 0.00 0.00 175.26 175.15 2eef s SER 10 N 0.78 0.40 0.95 -0.19 0.15 -1.26 -5.15 113.70 109.38 2eef s SER 10 Ca 0.23 -1.25 -0.16 0.00 0.70 0.00 0.00 55.95 55.48 2eef s SER 10 Cb -0.12 0.61 -0.08 0.00 -1.71 0.00 0.00 66.02 64.72 2eef s SER 10 CO -0.09 -1.21 -0.29 -0.62 1.20 0.00 0.00 173.24 172.23 2eef n GLU 11 N -0.46 -0.08 -3.82 5.44 -0.58 -1.26 -4.99 120.64 114.89 2eef n GLU 11 Ca -0.00 -0.01 -0.21 0.00 -0.42 0.00 0.00 57.16 56.51 2eef n GLU 11 Cb 0.62 -1.34 -0.04 0.00 -0.57 0.00 0.00 31.44 30.11 2eef n GLU 11 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2eef s SER 12 N -1.37 5.13 0.52 1.62 0.01 -1.26 -5.02 113.70 113.33 2eef s SER 12 Ca 0.48 -0.60 0.04 0.00 1.31 0.00 0.00 55.95 57.17 2eef s SER 12 Cb -0.21 -0.84 0.01 0.00 0.21 0.00 0.00 66.02 65.18 2eef s SER 12 CO 0.76 -0.41 0.21 -0.36 0.41 0.00 0.00 173.24 173.85 2eef s PHE 13 N -2.36 1.79 0.25 2.43 0.40 -1.26 -0.01 117.98 119.21 2eef s PHE 13 Ca 0.42 -0.88 -0.05 0.00 -0.60 0.00 0.00 56.93 55.82 2eef s PHE 13 Cb -0.05 -1.78 0.02 0.00 0.51 0.00 0.00 43.02 41.72 2eef s PHE 13 CO 0.26 -0.12 0.42 1.33 0.70 0.00 0.00 175.22 177.80 2eef n VAL 14 N -1.51 0.00 -3.84 -0.44 0.24 -0.42 -4.28 118.33 108.07 2eef n VAL 14 Ca -0.10 -1.01 -0.35 0.00 -2.04 0.00 0.00 64.34 60.84 2eef n VAL 14 Cb 0.65 0.72 -0.09 0.00 -1.47 0.00 0.00 33.84 33.66 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 4.00 -0.09 1.34 1.43 -1.26 -3.44 118.68 120.65 2eef s LEU 15 Ca 0.16 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2eef s LEU 15 Cb -0.02 -2.03 0.16 0.00 0.03 0.00 0.00 46.19 44.33 2eef s LEU 15 CO 0.12 0.16 1.13 -0.67 0.23 0.00 0.00 176.35 177.32 2eef n ASP 16 N 3.67 2.98 -3.55 2.29 -0.08 -0.96 -4.81 116.55 116.10 2eef n ASP 16 Ca -0.16 -2.33 -0.14 0.00 -1.51 0.00 0.00 54.79 50.64 2eef n ASP 16 Cb 0.52 -0.57 -0.05 0.00 2.34 0.00 0.00 41.12 43.36 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2eef s PHE 17 N -0.85 -0.46 0.27 -0.67 -0.71 -1.26 -4.85 117.98 109.44 2eef s PHE 17 Ca 0.13 0.52 -0.26 0.00 -1.04 0.00 0.00 56.93 56.27 2eef s PHE 17 Cb 0.10 0.38 -0.09 0.00 -1.21 0.00 0.00 43.02 42.20 2eef s PHE 17 CO 0.03 -0.67 0.89 -1.12 -1.34 0.00 0.00 175.22 173.01 2eef s SER 18 N -1.99 7.40 0.19 1.98 0.01 -1.26 -4.98 113.70 115.04 2eef s SER 18 Ca -0.05 1.79 -0.32 0.00 1.31 0.00 0.00 55.95 58.67 2eef s SER 18 Cb -0.01 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.52 2eef s SER 18 CO -0.02 0.05 1.22 0.00 0.41 0.00 0.00 173.24 174.90 2eef n GLN 19 N 0.98 1.37 -0.07 12.44 1.13 -1.26 -4.90 117.38 127.07 2eef n GLN 19 Ca -0.01 0.49 -0.13 0.00 -1.94 0.00 0.00 57.00 55.41 2eef n GLN 19 Cb 0.49 -2.02 -0.06 0.00 0.11 0.00 0.00 30.24 28.76 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 3.58 0.47 -0.98 -1.09 0.13 -1.81 -3.13 132.00 129.16 2eef h PRO 20 Ca -0.44 -0.25 0.24 0.00 -0.87 0.00 0.00 66.00 64.69 2eef h PRO 20 Cb 1.33 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 2eef h PRO 20 CO 0.71 0.82 0.65 0.66 -0.23 0.00 0.00 178.00 180.61 2eef h SER 21 N 0.13 0.41 -0.68 1.44 4.64 -1.72 -2.00 113.55 115.77 2eef h SER 21 Ca 0.03 0.06 0.19 0.00 -0.47 0.00 0.00 61.79 61.60 2eef h SER 21 Cb 0.73 -0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 62.69 2eef h SER 21 CO 0.05 0.12 0.03 0.00 -0.87 0.00 0.00 176.83 176.16 2eef n ALA 22 N -2.51 0.37 -3.42 5.18 0.00 -1.18 -2.98 120.51 115.97 2eef n ALA 22 Ca 0.22 0.73 -0.42 0.00 0.00 0.00 0.00 53.44 53.97 2eef n ALA 22 Cb 0.81 -0.54 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 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 -4.99 5.85 0.18 0.00 1.11 -0.75 -4.95 116.67 113.11 2eef s ASP 23 Ca -0.09 -1.80 -0.14 0.00 0.18 0.00 0.00 52.55 50.70 2eef s ASP 23 Cb 0.20 -2.07 0.14 0.00 1.07 0.00 0.00 42.92 42.26 2eef s ASP 23 CO 0.53 -0.72 1.71 0.22 1.18 0.00 0.00 175.17 178.10 2eef h TYR 24 N 8.58 0.10 0.16 4.23 3.20 -1.80 0.30 116.97 131.75 2eef h TYR 24 Ca -0.24 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.65 2eef h TYR 24 Cb 1.08 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2eef h TYR 24 CO 0.66 -0.02 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.01 2eef h LEU 25 N 0.19 -0.18 -1.48 2.82 -0.00 -1.92 0.16 115.31 114.89 2eef h LEU 25 Ca 0.22 0.01 0.13 0.00 -0.00 0.00 0.00 57.88 58.24 2eef h LEU 25 Cb 0.29 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 2eef h LEU 25 CO -0.30 -0.09 0.71 -0.78 -0.00 0.00 0.00 178.44 177.98 2eef h ASP 26 N -0.31 0.00 0.00 -0.43 1.82 -1.93 0.48 116.42 116.05 2eef h ASP 26 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2eef h ASP 26 Cb 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2eef h ASP 26 CO 0.04 0.00 -0.04 0.15 -1.61 0.00 0.00 179.24 177.78 2eef h PHE 27 N 0.00 0.00 -0.96 0.28 3.04 -0.29 -3.36 116.94 115.65 2eef h PHE 27 Ca 0.22 0.00 0.19 0.00 3.98 0.00 0.00 57.97 62.36 2eef h PHE 27 Cb 1.64 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 40.06 2eef h PHE 27 CO 0.00 0.00 0.61 0.07 -2.02 0.00 0.00 178.31 176.97 2eef h ARG 28 N -0.75 0.60 -1.11 1.11 0.11 0.05 0.69 114.38 115.07 2eef h ARG 28 Ca 0.00 -0.04 0.31 0.00 0.10 0.00 0.00 59.98 60.35 2eef h ARG 28 Cb 0.04 -0.14 -0.08 0.00 1.11 0.00 0.00 29.97 30.90 2eef h ARG 28 CO 0.00 0.40 0.75 -0.91 0.10 0.00 0.00 179.97 180.30 2eef h ASN 29 N 0.62 0.28 0.59 0.08 2.35 -1.09 0.95 115.58 119.36 2eef h ASN 29 Ca 0.52 0.06 -0.28 0.00 -0.55 0.00 0.00 56.30 56.05 2eef h ASN 29 Cb 0.99 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.37 2eef h ASN 29 CO -0.28 0.03 -1.42 0.03 -1.65 0.00 0.00 177.43 174.15 2eef h ARG 30 N 0.24 0.16 0.00 0.81 2.47 -1.01 -1.86 114.38 115.19 2eef h ARG 30 Ca 0.61 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 2eef h ARG 30 Cb 1.85 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 30.27 2eef h ARG 30 CO -0.22 1.01 0.00 1.25 0.56 0.00 0.00 179.97 182.57 2eef h LEU 31 N 0.04 0.00 0.00 3.04 5.85 -0.08 0.62 115.31 124.79 2eef h LEU 31 Ca -0.19 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.22 2eef h LEU 31 Cb 1.96 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.93 2eef h LEU 31 CO 0.15 0.00 -2.32 1.67 -0.34 0.00 0.00 178.44 177.60 2eef n GLN 32 N -2.51 0.71 -0.06 1.25 7.27 0.28 -2.57 117.38 121.75 2eef n GLN 32 Ca 0.05 -0.04 -0.02 0.00 0.07 0.00 0.00 57.00 57.06 2eef n GLN 32 Cb 0.43 -1.52 -0.16 0.00 2.41 0.00 0.00 30.24 31.40 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 -2.67 1.99 0.43 1.69 0.00 -0.70 -4.42 120.51 116.84 2eef n ALA 33 Ca -0.28 -1.01 0.04 0.00 0.00 0.00 0.00 53.44 52.19 2eef n ALA 33 Cb 1.06 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.58 0.77 -2.42 0.00 -0.08 0.22 -4.99 116.55 107.46 2eef n ASP 34 Ca -0.22 -0.88 -0.18 0.00 -1.51 0.00 0.00 54.79 52.01 2eef n ASP 34 Cb 0.93 0.76 -0.01 0.00 2.34 0.00 0.00 41.12 45.15 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 -0.79 -1.17 -3.64 -0.67 8.25 -1.04 -4.89 115.22 111.27 2eef n HIS 35 Ca 0.03 0.01 -0.06 0.00 -0.26 0.00 0.00 57.72 57.43 2eef n HIS 35 Cb 0.17 -3.52 -0.07 0.00 1.12 0.00 0.00 29.99 27.69 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 -2.88 0.00 -0.20 1.59 0.11 -1.23 -3.58 120.40 114.21 2eef s VAL 36 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.76 2eef s VAL 36 Cb -0.00 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.99 2eef s VAL 36 CO 0.00 0.00 1.09 0.00 -3.33 0.00 0.00 175.10 172.87 2eef s LEU 38 N -0.99 4.19 -0.01 0.00 2.96 -1.26 -0.21 118.68 123.36 2eef s LEU 38 Ca 0.01 0.85 -0.02 0.00 -0.22 0.00 0.00 54.13 54.75 2eef s LEU 38 Cb -0.01 -2.84 -0.01 0.00 0.50 0.00 0.00 46.19 43.83 2eef s LEU 38 CO -0.01 -0.18 0.32 -0.08 -1.32 0.00 0.00 176.35 175.08 2eef h GLU 39 N 7.24 -0.06 -3.31 1.98 4.81 -1.40 -3.39 114.58 120.44 2eef h GLU 39 Ca -0.35 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.73 2eef h GLU 39 Cb 1.16 0.01 -0.23 0.00 0.63 0.00 0.00 28.75 30.32 2eef h GLU 39 CO 0.76 -0.04 -0.45 0.54 -0.73 0.00 0.00 179.01 179.09 2eef s ASN 40 N -3.07 -0.12 -0.30 1.04 4.22 -1.23 -2.87 114.94 112.61 2eef s ASN 40 Ca -0.01 0.13 -0.02 0.00 -2.14 0.00 0.00 52.86 50.82 2eef s ASN 40 Cb 0.00 0.33 0.10 0.00 1.28 0.00 0.00 41.25 42.95 2eef s ASN 40 CO 0.03 -0.24 0.10 0.00 -2.04 0.00 0.00 177.10 174.95 2eef s VAL 42 N 1.76 3.14 0.03 0.00 -7.23 0.31 -4.92 120.40 113.49 2eef s VAL 42 Ca 0.09 0.17 0.07 0.00 -1.81 0.00 0.00 61.98 60.50 2eef s VAL 42 Cb -0.17 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.41 2eef s VAL 42 CO -0.28 -0.40 -0.21 -0.22 -0.31 0.00 0.00 175.10 173.69 2eef s LEU 43 N -5.28 2.15 0.23 1.32 0.20 -1.26 -2.45 118.68 113.59 2eef s LEU 43 Ca 0.58 -0.50 0.06 0.00 0.69 0.00 0.00 54.13 54.96 2eef s LEU 43 Cb -0.11 -0.99 -0.05 0.00 -0.43 0.00 0.00 46.19 44.61 2eef s LEU 43 CO 0.49 0.17 -0.08 -0.54 -0.29 0.00 0.00 176.35 176.10 2eef s LYS 44 N -1.06 1.39 0.06 1.98 1.02 0.26 -4.97 119.74 118.42 2eef s LYS 44 Ca 0.07 -1.67 -0.11 0.00 0.02 0.00 0.00 55.97 54.28 2eef s LYS 44 Cb -0.09 -0.99 -0.03 0.00 -0.52 0.00 0.00 37.83 36.21 2eef s LYS 44 CO 0.01 0.06 0.83 -0.25 -0.92 0.00 0.00 175.35 175.08 2eef n ASP 45 N -0.45 -0.38 -2.09 2.83 8.00 -1.26 -2.63 116.55 120.58 2eef n ASP 45 Ca -0.07 0.92 -0.04 0.00 0.71 0.00 0.00 54.79 56.31 2eef n ASP 45 Cb 0.62 -0.22 0.06 0.00 -0.02 0.00 0.00 41.12 41.56 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 -3.86 1.79 -3.74 -1.24 4.76 -1.26 -4.80 118.16 109.80 2eef n LYS 46 Ca 0.01 -3.32 -0.09 0.00 -2.87 0.00 0.00 58.31 52.04 2eef n LYS 46 Cb 0.09 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2eef s ALA 47 N -2.87 -1.15 0.18 7.82 0.00 -1.08 -0.85 121.76 123.82 2eef s ALA 47 Ca 0.36 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.18 2eef s ALA 47 Cb 0.36 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 24.31 2eef s ALA 47 CO -0.05 -0.90 0.00 0.96 0.00 0.00 0.00 175.76 175.77 2eef s ILE 48 N -3.88 0.74 -0.24 0.00 -4.36 0.31 0.92 121.20 114.68 2eef s ILE 48 Ca 0.09 -1.99 -0.17 0.00 -0.26 0.00 0.00 60.65 58.32 2eef s ILE 48 Cb -0.03 -2.17 0.07 0.00 1.25 0.00 0.00 42.46 41.58 2eef s ILE 48 CO 0.00 -0.44 0.61 0.00 0.24 0.00 0.00 174.94 175.35 2eef s ALA 49 N -3.62 -1.60 0.02 2.27 0.00 -1.02 -3.12 121.76 114.70 2eef s ALA 49 Ca 0.25 2.02 -0.28 0.00 0.00 0.00 0.00 51.96 53.95 2eef s ALA 49 Cb 0.06 -1.19 0.08 0.00 0.00 0.00 0.00 23.12 22.07 2eef s ALA 49 CO 0.05 -0.33 0.71 0.20 0.00 0.00 0.00 175.76 176.39 2eef s GLY 50 N 1.14 -0.55 -0.13 0.00 0.00 -0.98 0.11 107.32 106.91 2eef s GLY 50 Ca -0.06 1.04 -0.01 0.00 0.00 0.00 0.00 44.72 45.69 2eef s GLY 50 CO -0.11 0.59 -0.11 -0.51 0.00 0.00 0.00 173.10 172.96 2eef s THR 51 N -2.38 3.25 -0.11 0.90 -4.23 -0.59 -1.03 115.64 111.45 2eef s THR 51 Ca -0.04 -0.59 -0.04 0.00 -1.18 0.00 0.00 61.69 59.84 2eef s THR 51 Cb -0.01 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 2eef s THR 51 CO -0.02 0.52 0.03 -0.69 -0.54 0.00 0.00 174.62 173.92 2eef s VAL 52 N 0.31 4.57 0.14 2.29 1.01 0.96 -0.96 120.40 128.72 2eef s VAL 52 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2eef s VAL 52 Cb -0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2eef s VAL 52 CO 0.05 0.58 0.30 -0.54 0.00 0.00 0.00 175.10 175.49 2eef s LYS 53 N -0.64 3.47 0.05 2.72 -0.14 0.71 -2.44 119.74 123.47 2eef s LYS 53 Ca 0.11 -0.45 -0.13 0.00 -1.36 0.00 0.00 55.97 54.14 2eef s LYS 53 Cb -0.12 -2.95 0.02 0.00 -1.68 0.00 0.00 37.83 33.10 2eef s LYS 53 CO 0.02 0.51 0.28 0.14 -0.76 0.00 0.00 175.35 175.55 2eef s VAL 54 N -1.70 0.09 0.20 3.17 -7.23 -1.25 -2.62 120.40 111.05 2eef s VAL 54 Ca 0.36 -0.76 -0.12 0.00 -1.81 0.00 0.00 61.98 59.66 2eef s VAL 54 Cb -0.12 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.75 2eef s VAL 54 CO 0.28 -0.42 0.56 -1.10 -0.31 0.00 0.00 175.10 174.11 2eef s GLN 55 N -2.79 3.89 -1.25 4.82 -1.52 -1.23 -4.45 119.66 117.12 2eef s GLN 55 Ca -0.03 0.38 -0.09 0.00 -1.95 0.00 0.00 55.36 53.68 2eef s GLN 55 Cb -0.00 -2.75 -0.10 0.00 -0.22 0.00 0.00 33.01 29.94 2eef s GLN 55 CO -0.05 0.38 3.02 -1.71 -0.25 0.00 0.00 175.29 176.68 2eef n ASN 56 N 0.25 7.97 -0.02 5.90 5.15 -1.26 -4.53 115.26 128.71 2eef n ASN 56 Ca -0.02 -2.64 -0.08 0.00 -0.60 0.00 0.00 54.58 51.25 2eef n ASN 56 Cb 0.52 -1.50 -0.06 0.00 -0.53 0.00 0.00 39.78 38.21 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 6.37 -0.06 -9.52 1.20 3.38 -1.96 -3.47 115.31 111.25 2eef h LEU 57 Ca 0.71 -0.43 -0.58 0.00 0.09 0.00 0.00 57.88 57.68 2eef h LEU 57 Cb 0.53 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.19 2eef h LEU 57 CO 1.43 0.63 -0.65 0.00 0.09 0.00 0.00 178.44 179.93 2eef s ALA 58 N -2.75 3.17 0.08 1.53 0.00 -1.26 -4.97 121.76 117.56 2eef s ALA 58 Ca -0.10 -1.52 -0.34 0.00 0.00 0.00 0.00 51.96 50.01 2eef s ALA 58 Cb -0.01 -0.87 -0.17 0.00 0.00 0.00 0.00 23.12 22.07 2eef s ALA 58 CO 0.36 0.37 1.60 0.35 0.00 0.00 0.00 175.76 178.43 2eef h PHE 59 N 2.28 -1.08 -3.51 0.00 3.04 -1.98 -3.43 116.94 112.27 2eef h PHE 59 Ca -0.46 -0.00 -0.52 0.00 3.98 0.00 0.00 57.97 60.97 2eef h PHE 59 Cb 1.23 0.40 -0.02 0.00 2.56 0.00 0.00 35.95 40.11 2eef h PHE 59 CO 0.65 -0.59 -0.04 -1.21 -2.02 0.00 0.00 178.31 175.10 2eef s GLU 60 N -5.98 3.82 -0.02 1.11 2.02 -1.26 -5.10 118.70 113.29 2eef s GLU 60 Ca -0.18 0.36 -0.02 0.00 0.02 0.00 0.00 54.97 55.15 2eef s GLU 60 Cb 0.04 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.72 2eef s GLU 60 CO 0.62 0.22 0.05 0.15 0.02 0.00 0.00 175.26 176.32 2eef s LYS 61 N -3.10 0.04 -0.52 1.61 1.02 -1.26 -4.81 119.74 112.72 2eef s LYS 61 Ca 0.49 0.11 0.04 0.00 0.02 0.00 0.00 55.97 56.63 2eef s LYS 61 Cb -0.11 -0.03 0.13 0.00 -0.52 0.00 0.00 37.83 37.31 2eef s LYS 61 CO 0.23 -0.04 0.28 0.99 -0.92 0.00 0.00 175.35 175.88 2eef s THR 62 N 0.28 2.36 -0.22 2.17 2.01 -1.11 -5.01 115.64 116.13 2eef s THR 62 Ca -0.02 -3.25 -0.12 0.00 0.31 0.00 0.00 61.69 58.60 2eef s THR 62 Cb -0.03 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 2eef s THR 62 CO -0.01 -0.84 0.23 -0.69 -0.69 0.00 0.00 174.62 172.62 2eef s VAL 63 N -0.27 5.32 -0.10 3.82 1.01 -1.26 -2.49 120.40 126.43 2eef s VAL 63 Ca 0.18 0.36 -0.06 0.00 0.00 0.00 0.00 61.98 62.46 2eef s VAL 63 Cb -0.24 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2eef s VAL 63 CO -0.02 0.33 0.23 -0.54 0.00 0.00 0.00 175.10 175.11 2eef s LYS 64 N 1.03 0.22 -0.32 2.72 1.02 -0.93 -1.91 119.74 121.56 2eef s LYS 64 Ca 0.11 0.45 -0.21 0.00 0.02 0.00 0.00 55.97 56.34 2eef s LYS 64 Cb -0.14 -0.04 -0.00 0.00 -0.52 0.00 0.00 37.83 37.13 2eef s LYS 64 CO 0.05 -0.12 0.68 0.42 -0.92 0.00 0.00 175.35 175.46 2eef s ILE 65 N 0.87 4.87 -0.74 2.17 1.09 -0.98 -2.30 121.20 126.18 2eef s ILE 65 Ca -0.06 0.86 -0.25 0.00 -1.10 0.00 0.00 60.65 60.10 2eef s ILE 65 Cb -0.07 -4.07 0.05 0.00 -1.06 0.00 0.00 42.46 37.31 2eef s ILE 65 CO -0.05 -0.24 1.17 -0.60 -0.10 0.00 0.00 174.94 175.12 2eef s ARG 66 N 2.76 3.21 0.09 2.79 3.52 -0.85 -3.20 118.95 127.28 2eef s ARG 66 Ca 0.27 -0.60 0.03 0.00 -0.13 0.00 0.00 55.73 55.31 2eef s ARG 66 Cb -0.14 -4.33 -0.04 0.00 -1.56 0.00 0.00 34.95 28.88 2eef s ARG 66 CO 0.13 -2.02 0.09 1.41 -0.81 0.00 0.00 175.30 174.10 2eef s MET 67 N 4.93 2.88 0.03 5.12 -2.45 -1.23 -2.22 119.30 126.37 2eef s MET 67 Ca 0.31 -0.72 -0.09 0.00 -1.25 0.00 0.00 55.69 53.95 2eef s MET 67 Cb -0.10 -2.71 0.00 0.00 1.25 0.00 0.00 34.83 33.26 2eef s MET 67 CO 0.10 0.55 0.17 -0.08 1.05 0.00 0.00 175.02 176.82 2eef s THR 68 N -1.44 0.11 -0.02 10.11 -1.32 -1.01 -1.91 115.64 120.16 2eef s THR 68 Ca 0.29 -0.88 0.03 0.00 -1.21 0.00 0.00 61.69 59.93 2eef s THR 68 Cb -0.12 -0.82 0.05 0.00 -1.51 0.00 0.00 72.50 70.10 2eef s THR 68 CO 0.22 -0.48 0.88 0.49 -2.21 0.00 0.00 174.62 173.52 2eef n PHE 69 N 0.84 0.00 -3.36 9.09 3.72 -1.26 -3.44 117.46 123.05 2eef n PHE 69 Ca -0.20 -0.39 -0.26 0.00 -0.05 0.00 0.00 57.45 56.56 2eef n PHE 69 Cb 0.58 -0.05 -0.09 0.00 -0.94 0.00 0.00 39.48 38.98 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 -0.46 0.85 -3.54 4.37 9.92 -1.24 -4.55 116.55 121.91 2eef n ASP 70 Ca 0.03 -2.77 -0.22 0.00 -0.53 0.00 0.00 54.79 51.30 2eef n ASP 70 Cb 0.43 -0.63 -0.06 0.00 -0.64 0.00 0.00 41.12 40.22 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 1.79 -0.40 -3.28 -3.53 -1.04 -1.09 0.22 114.28 106.96 2eef n THR 71 Ca 0.25 -0.20 -0.16 0.00 -2.04 0.00 0.00 64.05 61.90 2eef n THR 71 Cb 0.48 -0.51 0.08 0.00 -1.82 0.00 0.00 70.33 68.56 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 -3.03 -2.00 -0.04 -1.42 7.02 -1.26 -4.94 117.44 111.76 2eef n TRP 72 Ca -0.11 0.83 -0.06 0.00 -1.02 0.00 0.00 57.50 57.14 2eef n TRP 72 Cb 0.38 -4.65 -0.04 0.00 -2.42 0.00 0.00 31.31 24.58 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 -3.83 0.22 -3.72 -0.99 5.02 0.61 -4.91 118.16 110.55 2eef n LYS 73 Ca -0.21 0.05 -0.30 0.00 -2.02 0.00 0.00 58.31 55.84 2eef n LYS 73 Cb 0.63 -1.16 -0.13 0.00 -0.02 0.00 0.00 35.03 34.35 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 -4.90 3.68 0.20 4.39 0.15 -1.26 -5.03 113.70 110.93 2eef s SER 74 Ca -0.12 -2.58 0.05 0.00 0.70 0.00 0.00 55.95 54.00 2eef s SER 74 Cb 0.03 -1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 63.27 2eef s SER 74 CO 0.20 -0.27 0.20 -0.72 1.20 0.00 0.00 173.24 173.85 2eef s TYR 75 N 0.41 3.21 -0.03 3.44 -0.85 -1.26 -4.02 117.35 118.25 2eef s TYR 75 Ca 0.17 -0.03 0.03 0.00 -0.52 0.00 0.00 57.07 56.73 2eef s TYR 75 Cb -0.24 -1.50 0.00 0.00 0.38 0.00 0.00 41.96 40.59 2eef s TYR 75 CO -0.00 0.51 -0.12 0.99 -1.52 0.00 0.00 175.55 175.41 2eef s THR 76 N -1.89 1.02 -0.93 -3.49 2.01 -0.80 -4.97 115.64 106.59 2eef s THR 76 Ca 0.32 -0.49 -0.23 0.00 0.31 0.00 0.00 61.69 61.60 2eef s THR 76 Cb -0.09 -0.90 0.06 0.00 0.01 0.00 0.00 72.50 71.58 2eef s THR 76 CO 0.25 0.31 1.32 1.51 -0.69 0.00 0.00 174.62 177.32 2eef s ASP 77 N 0.13 6.44 -0.19 3.53 -4.77 -1.26 -3.47 116.67 117.08 2eef s ASP 77 Ca -0.03 -1.36 -0.28 0.00 -3.30 0.00 0.00 52.55 47.57 2eef s ASP 77 Cb -0.10 -2.52 -0.00 0.00 -1.09 0.00 0.00 42.92 39.21 2eef s ASP 77 CO 0.01 -1.47 0.99 -0.36 0.70 0.00 0.00 175.17 175.04 2eef s PHE 78 N 4.58 3.39 0.10 2.11 0.08 -1.19 -4.92 117.98 122.13 2eef s PHE 78 Ca 0.40 1.45 -0.31 0.00 0.12 0.00 0.00 56.93 58.58 2eef s PHE 78 Cb -0.04 -3.20 -0.08 0.00 -0.57 0.00 0.00 43.02 39.14 2eef s PHE 78 CO -0.04 -0.38 1.37 -1.25 -0.10 0.00 0.00 175.22 174.82 2eef s PRO 79 N 2.73 4.33 -0.08 0.24 0.04 -1.26 -2.33 135.00 138.67 2eef s PRO 79 Ca 0.44 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 63.26 2eef s PRO 79 Cb -0.16 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 2eef s PRO 79 CO 0.10 -0.42 0.76 0.00 0.04 0.00 0.00 177.00 177.48 2eef n GLN 81 N 4.07 -1.60 -5.01 0.00 1.13 -0.11 -4.79 117.38 111.07 2eef n GLN 81 Ca 0.01 -1.31 -0.32 0.00 -1.94 0.00 0.00 57.00 53.44 2eef n GLN 81 Cb 0.51 -1.02 -0.14 0.00 0.11 0.00 0.00 30.24 29.70 2eef n GLN 81 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2eef s TYR 82 N -2.69 2.59 -0.36 1.08 6.14 -1.26 -2.24 117.35 120.60 2eef s TYR 82 Ca 0.50 -0.24 0.03 0.00 0.64 0.00 0.00 57.07 58.00 2eef s TYR 82 Cb -0.03 -1.59 0.10 0.00 0.42 0.00 0.00 41.96 40.87 2eef s TYR 82 CO 0.36 0.12 0.09 0.08 0.64 0.00 0.00 175.55 176.85 2eef s VAL 83 N -0.70 2.10 -0.50 3.14 1.01 -0.87 -4.86 120.40 119.72 2eef s VAL 83 Ca 0.11 -2.35 0.00 0.00 0.00 0.00 0.00 61.98 59.74 2eef s VAL 83 Cb -0.10 -2.54 0.44 0.00 0.00 0.00 0.00 36.38 34.18 2eef s VAL 83 CO 0.00 -0.65 1.94 2.29 0.00 0.00 0.00 175.10 178.69 2eef n LYS 84 N 4.16 2.30 -1.14 2.72 2.85 -1.26 -4.60 118.16 123.19 2eef n LYS 84 Ca 0.03 -2.70 -0.36 0.00 -1.05 0.00 0.00 58.31 54.24 2eef n LYS 84 Cb 0.40 -2.06 0.06 0.00 -0.65 0.00 0.00 35.03 32.79 2eef n LYS 84 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2eef n ASP 85 N -0.67 -2.59 -0.25 -5.58 9.92 -1.26 -4.80 116.55 111.33 2eef n ASP 85 Ca 0.52 0.48 0.05 0.00 -0.53 0.00 0.00 54.79 55.32 2eef n ASP 85 Cb 0.93 -1.08 0.18 0.00 -0.64 0.00 0.00 41.12 40.52 2eef n ASP 85 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2eef h THR 86 N -0.62 0.62 -0.28 -3.53 2.02 -1.98 -1.35 112.91 107.77 2eef h THR 86 Ca -0.44 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 2eef h THR 86 Cb 1.34 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2eef h THR 86 CO 0.38 0.07 0.06 1.88 0.37 0.00 0.00 175.52 178.28 2eef h TYR 87 N 0.38 0.48 -0.90 3.16 0.05 -1.99 -3.44 116.97 114.72 2eef h TYR 87 Ca 0.41 -0.06 -0.72 0.00 0.05 0.00 0.00 58.73 58.41 2eef h TYR 87 Cb 0.64 -0.14 0.04 0.00 1.01 0.00 0.00 36.73 38.28 2eef h TYR 87 CO -0.19 0.53 0.14 0.00 -1.05 0.00 0.00 178.16 177.59 2eef n ALA 88 N -2.31 -3.00 -1.00 3.88 0.00 -0.51 -4.92 120.51 112.65 2eef n ALA 88 Ca -0.03 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2eef n ALA 88 Cb 0.19 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.70 -3.29 0.91 0.00 0.00 -1.26 -4.84 105.19 98.41 2eef n GLY 89 Ca 0.19 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 0.81 0.14 1.61 7.64 -1.26 -4.86 113.62 117.70 2eef n SER 90 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 2eef n SER 90 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2eef n SER 90 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2eef h ASP 91 N 0.00 -0.22 -3.21 6.43 2.03 -2.03 -3.44 116.42 115.97 2eef h ASP 91 Ca 0.00 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.85 2eef h ASP 91 Cb 0.53 0.06 0.15 0.00 -0.83 0.00 0.00 39.33 39.23 2eef h ASP 91 CO 0.00 -0.16 0.32 -0.13 -1.03 0.00 0.00 179.24 178.24 2eef s ARG 92 N -6.13 0.77 -0.01 4.15 0.52 -1.26 -4.88 118.95 112.11 2eef s ARG 92 Ca -0.14 -0.77 -0.00 0.00 -0.52 0.00 0.00 55.73 54.29 2eef s ARG 92 Cb 0.05 -2.00 0.02 0.00 0.52 0.00 0.00 34.95 33.54 2eef s ARG 92 CO 0.65 -2.23 0.02 -0.51 0.02 0.00 0.00 175.30 173.25 2eef s ASP 93 N -4.90 0.03 -0.14 0.23 1.11 -1.26 -4.84 116.67 106.90 2eef s ASP 93 Ca 0.74 0.04 0.02 0.00 0.18 0.00 0.00 52.55 53.52 2eef s ASP 93 Cb -0.03 -0.03 0.01 0.00 1.07 0.00 0.00 42.92 43.94 2eef s ASP 93 CO 0.51 -0.07 -0.21 -0.89 1.18 0.00 0.00 175.17 175.69 2eef s THR 94 N 0.61 2.18 0.14 -1.27 2.01 -1.26 -3.92 115.64 114.13 2eef s THR 94 Ca -0.05 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.09 2eef s THR 94 Cb -0.07 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2eef s THR 94 CO -0.02 0.54 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.00 2eef s PHE 95 N 0.78 2.70 0.41 4.92 0.08 -1.02 -2.05 117.98 123.80 2eef s PHE 95 Ca -0.07 -0.18 0.07 0.00 0.12 0.00 0.00 56.93 56.86 2eef s PHE 95 Cb -0.16 -1.37 -0.08 0.00 -0.57 0.00 0.00 43.02 40.85 2eef s PHE 95 CO -0.01 0.46 0.01 -1.54 -0.10 0.00 0.00 175.22 174.04 2eef s SER 96 N -2.48 3.84 -0.16 1.36 1.04 -0.95 -0.03 113.70 116.31 2eef s SER 96 Ca 0.23 -1.39 -0.14 0.00 0.48 0.00 0.00 55.95 55.13 2eef s SER 96 Cb -0.10 -0.34 0.04 0.00 0.10 0.00 0.00 66.02 65.72 2eef s SER 96 CO 0.14 -0.48 0.42 0.72 0.98 0.00 0.00 173.24 175.03 2eef s PHE 97 N -2.74 -0.48 -0.34 5.02 -0.12 -0.20 -0.94 117.98 118.19 2eef s PHE 97 Ca 0.33 1.14 -0.00 0.00 -0.05 0.00 0.00 56.93 58.36 2eef s PHE 97 Cb 0.09 0.17 0.11 0.00 -0.63 0.00 0.00 43.02 42.76 2eef s PHE 97 CO 0.17 -0.23 0.14 0.16 -0.05 0.00 0.00 175.22 175.41 2eef s ASP 98 N 0.33 3.87 -0.09 1.98 1.47 -1.26 -2.31 116.67 120.66 2eef s ASP 98 Ca -0.01 -1.91 -0.04 0.00 1.18 0.00 0.00 52.55 51.77 2eef s ASP 98 Cb -0.03 -0.87 -0.04 0.00 -0.34 0.00 0.00 42.92 41.64 2eef s ASP 98 CO -0.01 -0.37 0.08 -0.63 0.68 0.00 0.00 175.17 174.92 2eef s ILE 99 N 1.28 4.93 0.02 2.11 1.01 -1.18 -4.93 121.20 124.44 2eef s ILE 99 Ca 0.12 -0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.48 2eef s ILE 99 Cb -0.19 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 2eef s ILE 99 CO -0.17 0.56 0.66 -0.94 0.00 0.00 0.00 174.94 175.05 2eef s SER 100 N -1.12 7.08 0.61 3.58 1.04 -1.26 -0.53 113.70 123.10 2eef s SER 100 Ca 0.16 1.29 -0.15 0.00 0.48 0.00 0.00 55.95 57.72 2eef s SER 100 Cb -0.12 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2eef s SER 100 CO 0.05 0.09 1.07 -0.76 0.98 0.00 0.00 173.24 174.67 2eef s LEU 101 N -0.25 3.47 1.10 2.42 1.43 -0.03 -4.92 118.68 121.91 2eef s LEU 101 Ca 0.34 1.84 -0.16 0.00 -1.03 0.00 0.00 54.13 55.12 2eef s LEU 101 Cb -0.19 -4.53 0.24 0.00 0.03 0.00 0.00 46.19 41.73 2eef s LEU 101 CO 0.20 -1.25 1.10 -2.16 0.23 0.00 0.00 176.35 174.47 2eef s PRO 102 N -4.11 -0.40 0.11 1.29 0.04 -1.26 -4.85 135.00 125.82 2eef s PRO 102 Ca 0.64 0.23 -0.17 0.00 0.04 0.00 0.00 61.00 61.74 2eef s PRO 102 Cb -0.17 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2eef s PRO 102 CO 0.38 -3.22 1.60 1.05 0.04 0.00 0.00 177.00 176.85 2eef h GLU 103 N -2.24 0.56 -3.21 4.56 4.11 -1.99 -3.47 114.58 112.90 2eef h GLU 103 Ca -0.51 -0.14 0.02 0.00 0.07 0.00 0.00 59.36 58.81 2eef h GLU 103 Cb 1.32 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 2eef h GLU 103 CO 0.47 0.62 0.11 -1.59 0.07 0.00 0.00 179.01 178.69 2eef s LYS 104 N -5.25 1.68 -0.07 1.06 -2.85 -1.26 -5.17 119.74 107.88 2eef s LYS 104 Ca -0.13 -1.05 -0.12 0.00 -1.00 0.00 0.00 55.97 53.66 2eef s LYS 104 Cb 0.09 0.56 0.03 0.00 -2.06 0.00 0.00 37.83 36.45 2eef s LYS 104 CO 0.76 -0.75 0.31 0.42 0.10 0.00 0.00 175.35 176.18 2eef s ILE 105 N -3.94 0.03 0.20 3.79 1.01 -1.26 -5.17 121.20 115.86 2eef s ILE 105 Ca 0.14 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.63 2eef s ILE 105 Cb -0.04 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 2eef s ILE 105 CO 0.07 -0.11 0.16 0.00 0.00 0.00 0.00 174.94 175.05 2eef n GLN 106 N 2.24 0.31 -0.36 2.79 1.13 -1.26 -5.05 117.38 117.18 2eef n GLN 106 Ca -0.17 -2.01 -0.05 0.00 -1.94 0.00 0.00 57.00 52.83 2eef n GLN 106 Cb 0.57 1.58 -0.03 0.00 0.11 0.00 0.00 30.24 32.47 2eef n GLN 106 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2eef n SER 107 N -2.15 -0.77 -3.52 1.08 3.41 -1.26 -4.47 113.62 105.94 2eef n SER 107 Ca 0.04 1.57 -0.24 0.00 -0.26 0.00 0.00 58.87 59.98 2eef n SER 107 Cb 0.36 -0.28 0.17 0.00 -0.26 0.00 0.00 64.21 64.21 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 -5.21 -3.96 -3.06 7.33 0.18 -1.26 -4.35 117.16 106.82 2eef n TYR 108 Ca 0.05 -0.94 -0.21 0.00 1.88 0.00 0.00 57.90 58.69 2eef n TYR 108 Cb 0.29 -0.85 0.04 0.00 -0.38 0.00 0.00 39.34 38.44 2eef n TYR 108 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2eef n GLU 109 N -3.43 -5.06 -0.84 -3.48 -0.58 -1.26 -4.88 120.64 101.10 2eef n GLU 109 Ca 0.13 0.83 -0.27 0.00 -0.42 0.00 0.00 57.16 57.44 2eef n GLU 109 Cb 0.47 -5.57 0.01 0.00 -0.57 0.00 0.00 31.44 25.78 2eef n GLU 109 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2eef n ARG 110 N -3.94 0.00 -4.01 3.49 3.00 -1.26 -4.15 116.66 109.79 2eef n ARG 110 Ca -0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.45 2eef n ARG 110 Cb 0.60 -0.67 -0.15 0.00 0.00 0.00 0.00 32.46 32.24 2eef n ARG 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 2eef s MET 111 N -0.67 2.00 0.06 -0.14 -2.45 -1.26 -2.67 119.30 114.16 2eef s MET 111 Ca 0.39 -1.12 -0.05 0.00 -1.25 0.00 0.00 55.69 53.66 2eef s MET 111 Cb -0.35 -2.70 -0.02 0.00 1.25 0.00 0.00 34.83 33.01 2eef s MET 111 CO 0.44 -0.55 0.08 -1.21 1.05 0.00 0.00 175.02 174.83 2eef s GLU 112 N 1.26 0.67 0.05 4.11 2.02 -1.22 -3.51 118.70 122.08 2eef s GLU 112 Ca -0.06 -0.97 -0.15 0.00 0.02 0.00 0.00 54.97 53.81 2eef s GLU 112 Cb -0.19 0.26 0.03 0.00 0.10 0.00 0.00 34.13 34.32 2eef s GLU 112 CO -0.06 -0.17 0.34 -0.59 0.02 0.00 0.00 175.26 174.80 2eef s PHE 113 N -3.40 -0.16 -0.00 1.61 -0.12 -1.26 -2.41 117.98 112.24 2eef s PHE 113 Ca 0.02 0.04 -0.02 0.00 -0.05 0.00 0.00 56.93 56.91 2eef s PHE 113 Cb 0.04 0.15 -0.00 0.00 -0.63 0.00 0.00 43.02 42.57 2eef s PHE 113 CO -0.08 -0.54 0.04 0.00 -0.05 0.00 0.00 175.22 174.58 2eef s ALA 114 N -2.66 -0.07 0.45 1.99 0.00 -0.94 -3.57 121.76 116.97 2eef s ALA 114 Ca -0.04 -0.12 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 2eef s ALA 114 Cb -0.00 0.01 -0.08 0.00 0.00 0.00 0.00 23.12 23.05 2eef s ALA 114 CO -0.04 -0.09 1.15 0.08 0.00 0.00 0.00 175.76 176.87 2eef s VAL 115 N -0.59 3.17 -0.28 0.00 1.01 -0.85 -2.00 120.40 120.86 2eef s VAL 115 Ca -0.07 0.88 -0.02 0.00 0.00 0.00 0.00 61.98 62.77 2eef s VAL 115 Cb -0.04 -3.45 0.09 0.00 0.00 0.00 0.00 36.38 32.98 2eef s VAL 115 CO -0.00 -0.01 0.09 -0.47 0.00 0.00 0.00 175.10 174.72 2eef s TYR 116 N -1.55 1.14 -0.25 5.22 5.04 -0.97 -1.98 117.35 123.99 2eef s TYR 116 Ca 0.63 -1.28 -0.08 0.00 -2.44 0.00 0.00 57.07 53.89 2eef s TYR 116 Cb -0.28 -1.32 -0.03 0.00 0.35 0.00 0.00 41.96 40.68 2eef s TYR 116 CO 0.34 -0.80 0.09 -0.47 -1.34 0.00 0.00 175.55 173.37 2eef s TYR 117 N 1.82 3.13 -0.14 4.97 5.04 -0.44 -2.18 117.35 129.54 2eef s TYR 117 Ca 0.07 -0.26 -0.03 0.00 -2.44 0.00 0.00 57.07 54.42 2eef s TYR 117 Cb -0.17 -2.25 -0.03 0.00 0.35 0.00 0.00 41.96 39.87 2eef s TYR 117 CO -0.25 -0.26 -0.05 -2.00 -1.34 0.00 0.00 175.55 171.64 2eef s GLU 118 N 1.50 3.53 -0.11 4.97 -6.30 -1.04 -0.99 118.70 120.26 2eef s GLU 118 Ca 0.06 -0.55 -0.33 0.00 -2.50 0.00 0.00 54.97 51.66 2eef s GLU 118 Cb -0.15 -2.84 0.13 0.00 0.00 0.00 0.00 34.13 31.27 2eef s GLU 118 CO 0.05 0.29 1.14 0.00 0.02 0.00 0.00 175.26 176.76 2eef n ASN 120 N -0.19 -1.41 -3.76 0.00 3.02 -1.26 0.94 115.26 112.60 2eef n ASN 120 Ca -0.03 -1.19 -0.28 0.00 -0.03 0.00 0.00 54.58 53.05 2eef n ASN 120 Cb 0.60 -1.93 0.03 0.00 -0.61 0.00 0.00 39.78 37.87 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 -1.54 -0.51 3.25 7.41 0.00 -1.26 -4.97 105.19 107.58 2eef n GLY 121 Ca -0.02 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -6.47 1.24 -0.10 1.61 -1.52 0.27 -5.15 119.66 109.53 2eef s GLN 122 Ca 0.62 -1.64 -0.02 0.00 -1.95 0.00 0.00 55.36 52.36 2eef s GLN 122 Cb -0.30 -0.09 0.04 0.00 -0.22 0.00 0.00 33.01 32.44 2eef s GLN 122 CO 0.76 -0.27 0.02 0.99 -0.25 0.00 0.00 175.29 176.53 2eef s THR 123 N -3.85 0.35 -0.15 -0.19 2.01 -1.26 -2.40 115.64 110.15 2eef s THR 123 Ca 0.33 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.28 2eef s THR 123 Cb 0.07 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 2eef s THR 123 CO 0.10 0.13 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.82 2eef s TYR 124 N 1.97 3.06 -0.25 4.92 2.02 -0.16 -4.98 117.35 123.92 2eef s TYR 124 Ca 0.04 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 2eef s TYR 124 Cb -0.13 -1.95 0.06 0.00 -0.40 0.00 0.00 41.96 39.53 2eef s TYR 124 CO -0.06 0.04 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.28 2eef s TRP 125 N 0.22 3.13 -0.48 2.71 0.52 -1.26 -1.33 118.94 122.44 2eef s TRP 125 Ca -0.01 -2.21 -0.12 0.00 0.02 0.00 0.00 56.10 53.77 2eef s TRP 125 Cb -0.14 -1.88 0.11 0.00 -1.15 0.00 0.00 33.47 30.41 2eef s TRP 125 CO 0.02 -0.86 0.39 0.34 0.02 0.00 0.00 176.95 176.86 2eef s ASP 126 N 1.15 5.90 -0.39 2.95 2.15 -0.84 -4.95 116.67 122.64 2eef s ASP 126 Ca -0.08 -1.74 -0.06 0.00 0.43 0.00 0.00 52.55 51.11 2eef s ASP 126 Cb -0.19 -2.09 0.08 0.00 -0.30 0.00 0.00 42.92 40.42 2eef s ASP 126 CO -0.06 -0.72 0.19 -0.94 -0.17 0.00 0.00 175.17 173.47 2eef s SER 127 N 2.87 5.36 -0.84 -0.34 1.04 -1.26 -2.00 113.70 118.53 2eef s SER 127 Ca 0.04 -1.62 -0.10 0.00 0.48 0.00 0.00 55.95 54.75 2eef s SER 127 Cb -0.27 -1.88 0.10 0.00 0.10 0.00 0.00 66.02 64.07 2eef s SER 127 CO 0.02 -0.48 0.24 -0.46 0.98 0.00 0.00 173.24 173.54 2eef n ASN 128 N 4.75 -0.70 -3.68 7.02 6.94 -1.26 0.05 115.26 128.38 2eef n ASN 128 Ca -0.08 -0.57 -0.21 0.00 -0.02 0.00 0.00 54.58 53.70 2eef n ASN 128 Cb 0.43 -0.72 -0.04 0.00 -2.36 0.00 0.00 39.78 37.08 2eef n ASN 128 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2eef n ARG 129 N -2.16 -0.86 0.00 -3.83 -4.01 -1.26 -4.20 116.66 100.33 2eef n ARG 129 Ca 0.03 -0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.84 2eef n ARG 129 Cb 0.21 -1.89 0.00 0.00 -3.04 0.00 0.00 32.46 27.74 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2eef n GLY 130 N -1.88 -2.16 0.70 2.89 0.00 0.11 -5.05 105.19 99.79 2eef n GLY 130 Ca -0.17 0.77 -0.01 0.00 0.00 0.00 0.00 46.02 46.61 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 0.05 -3.61 1.61 5.02 -1.23 -4.97 118.16 115.02 2eef n LYS 131 Ca 0.00 0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.26 2eef n LYS 131 Cb 0.00 -0.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.66 2eef n LYS 131 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2eef s ASN 132 N -5.05 -0.24 -1.08 4.39 0.01 -1.26 -4.75 114.94 106.97 2eef s ASN 132 Ca -0.03 -0.14 -0.20 0.00 -0.71 0.00 0.00 52.86 51.78 2eef s ASN 132 Cb 0.00 0.36 0.09 0.00 0.41 0.00 0.00 41.25 42.11 2eef s ASN 132 CO 0.04 -0.61 1.43 -0.31 -1.51 0.00 0.00 177.10 176.14 2eef s TYR 133 N -2.99 2.85 0.01 2.20 2.02 -1.23 -4.54 117.35 115.67 2eef s TYR 133 Ca 0.09 -1.32 -0.30 0.00 -0.37 0.00 0.00 57.07 55.17 2eef s TYR 133 Cb -0.00 -4.56 -0.06 0.00 -0.40 0.00 0.00 41.96 36.93 2eef s TYR 133 CO -0.04 -1.73 1.45 0.50 -1.57 0.00 0.00 175.55 174.16 2eef s ARG 134 N 3.82 4.26 -0.36 -0.62 3.52 -1.26 -4.08 118.95 124.22 2eef s ARG 134 Ca 0.44 2.03 -0.03 0.00 -0.13 0.00 0.00 55.73 58.04 2eef s ARG 134 Cb -0.01 -3.59 0.08 0.00 -1.56 0.00 0.00 34.95 29.87 2eef s ARG 134 CO -0.05 -0.61 0.12 0.42 -0.81 0.00 0.00 175.30 174.38 2eef s ILE 135 N 2.49 3.30 0.57 4.11 1.01 -1.23 -2.25 121.20 129.19 2eef s ILE 135 Ca 0.66 -1.67 0.09 0.00 0.00 0.00 0.00 60.65 59.72 2eef s ILE 135 Cb -0.33 -3.08 0.08 0.00 0.01 0.00 0.00 42.46 39.15 2eef s ILE 135 CO 0.27 -0.42 0.78 0.27 0.00 0.00 0.00 174.94 175.85 2eef s ILE 136 N 1.23 2.21 0.81 2.92 -4.36 -1.22 -4.84 121.20 117.94 2eef s ILE 136 Ca 0.02 -0.98 -0.12 0.00 -0.26 0.00 0.00 60.65 59.31 2eef s ILE 136 Cb -0.21 -2.23 0.08 0.00 1.25 0.00 0.00 42.46 41.35 2eef s ILE 136 CO -0.02 0.00 1.14 -0.60 0.24 0.00 0.00 174.94 175.70 2eef s ARG 137 N -4.66 1.96 0.16 0.37 3.52 -1.26 -1.30 118.95 117.74 2eef s ARG 137 Ca 0.62 0.31 0.01 0.00 -0.13 0.00 0.00 55.73 56.54 2eef s ARG 137 Cb -0.06 -1.93 -0.02 0.00 -1.56 0.00 0.00 34.95 31.38 2eef s ARG 137 CO 0.39 -1.64 1.37 0.00 -0.81 0.00 0.00 175.30 174.61 2eef h ALA 138 N -1.09 0.50 -0.31 6.12 0.00 -0.62 -3.20 119.26 120.65 2eef h ALA 138 Ca -0.47 -0.71 -0.05 0.00 0.00 0.00 0.00 54.91 53.67 2eef h ALA 138 Cb 1.30 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2eef h ALA 138 CO 0.63 0.88 -0.04 1.05 0.00 0.00 0.00 179.25 181.77 2eef h GLU 139 N 0.14 0.49 -5.04 0.00 4.11 -1.95 -3.41 114.58 108.93 2eef h GLU 139 Ca -0.05 -0.11 -0.64 0.00 0.07 0.00 0.00 59.36 58.63 2eef h GLU 139 Cb 1.50 -0.07 -0.20 0.00 0.50 0.00 0.00 28.75 30.49 2eef h GLU 139 CO 0.14 0.55 -0.59 -0.51 0.07 0.00 0.00 179.01 178.67 2eef s LEU 140 N -8.98 3.65 -0.30 3.06 1.43 -1.21 -5.04 118.68 111.29 2eef s LEU 140 Ca -0.07 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 52.81 2eef s LEU 140 Cb 0.15 -1.97 0.18 0.00 0.03 0.00 0.00 46.19 44.58 2eef s LEU 140 CO 0.76 0.03 1.06 -0.75 0.23 0.00 0.00 176.35 177.68 2eef s LYS 141 N 1.26 0.17 -0.08 1.70 2.47 -1.26 -4.34 119.74 119.66 2eef s LYS 141 Ca 0.05 0.28 -0.00 0.00 -1.56 0.00 0.00 55.97 54.73 2eef s LYS 141 Cb -0.14 0.15 0.03 0.00 -1.46 0.00 0.00 37.83 36.40 2eef s LYS 141 CO 0.04 -0.21 -0.04 -1.12 0.16 0.00 0.00 175.35 174.18 2eef s SER 142 N 2.96 1.74 -0.79 1.43 0.01 -1.26 -5.09 113.70 112.69 2eef s SER 142 Ca 0.04 -0.18 -0.22 0.00 1.31 0.00 0.00 55.95 56.89 2eef s SER 142 Cb -0.09 -0.61 0.08 0.00 0.21 0.00 0.00 66.02 65.61 2eef s SER 142 CO -0.13 -0.14 1.12 -0.89 0.41 0.00 0.00 173.24 173.61 2eef s THR 143 N 1.67 4.28 0.32 1.44 2.01 -1.26 -4.95 115.64 119.14 2eef s THR 143 Ca 0.02 -0.61 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 2eef s THR 143 Cb -0.13 -4.80 0.01 0.00 0.01 0.00 0.00 72.50 67.60 2eef s THR 143 CO -0.05 -1.60 0.53 0.00 -0.69 0.00 0.00 174.62 172.81 2eef s GLN 144 N 4.09 1.85 0.00 4.92 -2.07 -1.26 -5.19 119.66 122.00 2eef s GLN 144 Ca 0.30 -1.55 0.00 0.00 -1.82 0.00 0.00 55.36 52.29 2eef s GLN 144 Cb -0.10 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 2eef s GLN 144 CO 0.03 -0.79 0.00 0.41 -1.32 0.00 0.00 175.29 173.62 2eef n GLY 145 N -0.50 4.08 3.32 2.60 0.00 -1.26 -5.18 105.19 108.24 2eef n GLY 145 Ca -0.01 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.96 1.06 -0.15 1.61 1.75 -1.26 -5.17 119.30 115.19 2eef s MET 146 Ca 0.00 -0.80 -0.08 0.00 -1.25 0.00 0.00 55.69 53.56 2eef s MET 146 Cb 0.00 0.44 0.06 0.00 2.84 0.00 0.00 34.83 38.17 2eef s MET 146 CO 0.00 -0.41 0.35 -0.08 -0.65 0.00 0.00 175.02 174.24 2eef s THR 147 N -3.83 -0.07 -0.24 10.11 -1.32 -1.26 -5.14 115.64 113.89 2eef s THR 147 Ca 0.05 0.12 -0.12 0.00 -1.21 0.00 0.00 61.69 60.53 2eef s THR 147 Cb 0.02 -0.53 -0.05 0.00 -1.51 0.00 0.00 72.50 70.43 2eef s THR 147 CO -0.10 0.05 0.23 -0.75 -2.21 0.00 0.00 174.62 171.83 2eef s LYS 148 N 1.44 4.07 0.84 7.08 2.47 -1.26 -5.08 119.74 129.29 2eef s LYS 148 Ca -0.09 -0.16 -0.11 0.00 -1.56 0.00 0.00 55.97 54.05 2eef s LYS 148 Cb -0.09 -3.57 0.09 0.00 -1.46 0.00 0.00 37.83 32.81 2eef s LYS 148 CO -0.11 -0.02 1.09 -1.25 0.16 0.00 0.00 175.35 175.22 2eef s PRO 149 N 1.29 1.72 1.15 4.03 0.04 -1.26 -5.02 135.00 136.96 2eef s PRO 149 Ca 0.10 0.97 -0.17 0.00 0.04 0.00 0.00 61.00 61.95 2eef s PRO 149 Cb -0.14 -1.85 0.21 0.00 0.04 0.00 0.00 34.50 32.75 2eef s PRO 149 CO 0.07 -1.96 0.39 -2.39 0.04 0.00 0.00 177.00 173.15 2eef n HIS 150 N -3.71 -2.36 -0.07 0.56 1.44 -1.26 -5.00 115.22 104.83 2eef n HIS 150 Ca 0.08 -0.15 -0.13 0.00 -2.01 0.00 0.00 57.72 55.51 2eef n HIS 150 Cb 0.54 -1.44 -0.05 0.00 0.12 0.00 0.00 29.99 29.16 2eef n HIS 150 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2eef n SER 151 N -2.52 1.56 0.00 4.39 7.64 -1.26 -5.13 113.62 118.30 2eef n SER 151 Ca 0.06 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2eef n SER 151 Cb 0.48 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2eef n SER 151 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eef n GLY 152 N 2.36 4.22 3.61 0.23 0.00 -1.26 -5.14 105.19 109.22 2eef n GLY 152 Ca -0.26 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.88 -0.83 -0.06 1.61 0.04 -1.26 -5.10 135.00 124.52 2eef s PRO 153 Ca 0.00 0.07 -0.31 0.00 0.04 0.00 0.00 61.00 60.80 2eef s PRO 153 Cb 0.00 -1.63 0.07 0.00 0.04 0.00 0.00 34.50 32.98 2eef s PRO 153 CO 0.00 -3.48 0.68 0.34 0.04 0.00 0.00 177.00 174.58 2eef s ASP 154 N -3.79 -0.66 0.28 6.66 2.15 -1.26 -5.14 116.67 114.91 2eef s ASP 154 Ca 0.70 0.75 -0.30 0.00 0.43 0.00 0.00 52.55 54.13 2eef s ASP 154 Cb -0.12 0.58 -0.13 0.00 -0.30 0.00 0.00 42.92 42.95 2eef s ASP 154 CO 0.56 -0.59 1.30 0.18 -0.17 0.00 0.00 175.17 176.45 2eef n LEU 155 N 0.99 3.06 0.00 -1.34 4.77 -1.26 -5.35 117.00 117.86 2eef n LEU 155 Ca -0.19 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 2eef n LEU 155 Cb 0.57 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 2eef n LEU 155 CO 0.23 -0.63 0.00 0.61 -1.33 0.00 0.00 177.39 176.27