#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 6.21 0.07 1.61 0.01 -1.26 -4.88 113.70 115.45 2eef s SER 2 Ca 0.00 -0.65 -0.27 0.00 1.31 0.00 0.00 55.95 56.33 2eef s SER 2 Cb 0.00 -2.54 -0.17 0.00 0.21 0.00 0.00 66.02 63.52 2eef s SER 2 CO 0.00 -1.74 1.60 -1.28 0.41 0.00 0.00 173.24 172.23 2eef h SER 3 N 9.92 -0.34 -0.01 2.44 0.87 -2.14 -3.47 113.55 120.82 2eef h SER 3 Ca -0.22 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2eef h SER 3 Cb 1.05 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2eef h SER 3 CO 1.28 -0.18 0.00 0.61 -0.53 0.00 0.00 176.83 178.01 2eef n GLY 4 N -1.06 0.53 3.19 5.77 0.00 -1.26 -4.82 105.19 107.54 2eef n GLY 4 Ca -0.10 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 2eef n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eef s SER 5 N -4.00 -0.39 0.85 1.61 0.15 -1.26 -5.16 113.70 105.50 2eef s SER 5 Ca 0.00 0.77 -0.12 0.00 0.70 0.00 0.00 55.95 57.30 2eef s SER 5 Cb 0.00 0.68 0.10 0.00 -1.71 0.00 0.00 66.02 65.09 2eef s SER 5 CO 0.00 -0.19 1.10 -0.94 1.20 0.00 0.00 173.24 174.42 2eef s SER 6 N 1.46 4.01 -0.99 5.45 1.04 -1.26 -4.98 113.70 118.43 2eef s SER 6 Ca -0.09 1.26 -0.01 0.00 0.48 0.00 0.00 55.95 57.59 2eef s SER 6 Cb -0.09 -1.95 0.32 0.00 0.10 0.00 0.00 66.02 64.40 2eef s SER 6 CO -0.11 -2.27 1.70 0.61 0.98 0.00 0.00 173.24 174.15 2eef n GLY 7 N -1.90 5.97 3.57 7.32 0.00 -1.26 -4.91 105.19 113.98 2eef n GLY 7 Ca 0.07 -2.61 -0.05 0.00 0.00 0.00 0.00 46.02 43.42 2eef n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eef s ALA 8 N -4.06 -1.78 -0.31 4.61 0.00 -1.26 -5.13 121.76 113.81 2eef s ALA 8 Ca 0.39 2.22 -0.03 0.00 0.00 0.00 0.00 51.96 54.53 2eef s ALA 8 Cb 0.18 -1.49 0.05 0.00 0.00 0.00 0.00 23.12 21.85 2eef s ALA 8 CO -0.10 -0.60 0.04 -1.83 0.00 0.00 0.00 175.76 173.26 2eef s GLU 9 N 2.16 2.48 0.04 0.00 1.03 -1.26 -5.09 118.70 118.06 2eef s GLU 9 Ca -0.08 -1.25 -0.24 0.00 0.03 0.00 0.00 54.97 53.43 2eef s GLU 9 Cb -0.09 -3.27 -0.06 0.00 -0.80 0.00 0.00 34.13 29.91 2eef s GLU 9 CO -0.18 -0.64 0.72 0.45 -1.33 0.00 0.00 175.26 174.27 2eef s SER 10 N 1.31 7.15 1.05 0.83 0.15 -1.26 -5.04 113.70 117.90 2eef s SER 10 Ca -0.04 1.38 -0.24 0.00 0.70 0.00 0.00 55.95 57.75 2eef s SER 10 Cb -0.20 -2.44 -0.08 0.00 -1.71 0.00 0.00 66.02 61.60 2eef s SER 10 CO 0.00 0.05 -0.90 -0.62 1.20 0.00 0.00 173.24 172.97 2eef n GLU 11 N 2.71 -0.63 -2.33 5.44 -0.58 -1.26 -4.98 120.64 119.01 2eef n GLU 11 Ca -0.04 -0.18 -0.26 0.00 -0.42 0.00 0.00 57.16 56.27 2eef n GLU 11 Cb 0.50 -1.28 0.12 0.00 -0.57 0.00 0.00 31.44 30.21 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 -1.34 4.05 0.54 1.62 0.01 -1.26 -4.95 113.70 112.37 2eef s SER 12 Ca 0.44 -0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.67 2eef s SER 12 Cb 0.01 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.98 2eef s SER 12 CO 0.67 -2.08 0.16 -0.36 0.41 0.00 0.00 173.24 172.04 2eef s PHE 13 N -3.38 1.66 0.20 2.43 0.40 -1.26 -1.48 117.98 116.55 2eef s PHE 13 Ca 0.68 -0.96 -0.02 0.00 -0.60 0.00 0.00 56.93 56.03 2eef s PHE 13 Cb -0.06 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.78 2eef s PHE 13 CO 0.47 -0.08 0.29 1.33 0.70 0.00 0.00 175.22 177.93 2eef n VAL 14 N -1.50 0.00 -4.47 -0.44 0.24 0.06 -4.39 118.33 107.83 2eef n VAL 14 Ca -0.14 -0.96 -0.34 0.00 -2.04 0.00 0.00 64.34 60.86 2eef n VAL 14 Cb 0.66 0.61 -0.12 0.00 -1.47 0.00 0.00 33.84 33.52 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 3.17 -0.09 1.34 1.43 -1.26 -2.82 118.68 120.45 2eef s LEU 15 Ca 0.16 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 2eef s LEU 15 Cb -0.01 -1.75 0.23 0.00 0.03 0.00 0.00 46.19 44.69 2eef s LEU 15 CO 0.11 0.18 0.98 -0.67 0.23 0.00 0.00 176.35 177.17 2eef n ASP 16 N 3.49 2.61 -4.11 2.29 2.03 -1.09 -4.84 116.55 116.93 2eef n ASP 16 Ca -0.17 -2.32 -0.08 0.00 0.52 0.00 0.00 54.79 52.73 2eef n ASP 16 Cb 0.53 -0.57 -0.10 0.00 -0.72 0.00 0.00 41.12 40.26 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 -1.35 0.63 -0.08 -0.67 -0.71 -1.26 -4.96 117.98 109.58 2eef s PHE 17 Ca 0.16 -1.07 -0.18 0.00 -1.04 0.00 0.00 56.93 54.80 2eef s PHE 17 Cb 0.13 -0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 41.46 2eef s PHE 17 CO 0.04 -0.36 0.49 -1.54 -1.34 0.00 0.00 175.22 172.51 2eef s SER 18 N -2.96 6.75 0.17 1.98 1.04 -1.26 -5.01 113.70 114.41 2eef s SER 18 Ca 0.10 0.89 -0.24 0.00 0.48 0.00 0.00 55.95 57.18 2eef s SER 18 Cb 0.07 -2.29 -0.15 0.00 0.10 0.00 0.00 66.02 63.75 2eef s SER 18 CO -0.07 0.06 0.46 0.00 0.98 0.00 0.00 173.24 174.67 2eef n GLN 19 N 3.27 0.00 -0.04 4.02 1.13 -1.26 -4.88 117.38 119.63 2eef n GLN 19 Ca -0.08 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.85 2eef n GLN 19 Cb 0.52 -0.88 -0.08 0.00 0.11 0.00 0.00 30.24 29.91 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 0.92 0.19 -1.19 -1.09 0.13 -1.80 -3.12 132.00 126.03 2eef h PRO 20 Ca -0.25 -0.10 0.34 0.00 -0.87 0.00 0.00 66.00 65.12 2eef h PRO 20 Cb 1.24 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 2eef h PRO 20 CO 0.49 0.62 0.82 1.03 -0.23 0.00 0.00 178.00 180.74 2eef h SER 21 N -0.24 0.14 -1.81 1.44 0.87 -1.73 -0.34 113.55 111.88 2eef h SER 21 Ca 0.01 0.03 0.53 0.00 -1.23 0.00 0.00 61.79 61.14 2eef h SER 21 Cb 0.59 0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.47 2eef h SER 21 CO 0.02 0.01 1.29 0.00 -0.53 0.00 0.00 176.83 177.61 2eef n ALA 22 N -2.68 1.74 -3.76 6.23 0.00 -1.18 -3.22 120.51 117.64 2eef n ALA 22 Ca 0.27 0.65 -0.35 0.00 0.00 0.00 0.00 53.44 54.01 2eef n ALA 22 Cb 1.19 -1.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.93 5.08 0.15 0.00 1.11 -0.14 -4.97 116.67 113.97 2eef s ASP 23 Ca -0.05 -1.81 -0.15 0.00 0.18 0.00 0.00 52.55 50.72 2eef s ASP 23 Cb 0.26 -1.77 0.02 0.00 1.07 0.00 0.00 42.92 42.51 2eef s ASP 23 CO 0.84 -0.43 1.76 0.22 1.18 0.00 0.00 175.17 178.74 2eef h TYR 24 N 7.97 0.60 0.35 4.23 5.03 -1.82 0.12 116.97 133.45 2eef h TYR 24 Ca -0.14 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.14 2eef h TYR 24 Cb 1.05 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 39.14 2eef h TYR 24 CO 0.56 0.45 -0.17 -0.07 -1.32 0.00 0.00 178.16 177.61 2eef h LEU 25 N 0.58 -0.40 -1.94 2.82 -0.00 -1.93 0.13 115.31 114.56 2eef h LEU 25 Ca 0.16 0.01 0.26 0.00 -0.00 0.00 0.00 57.88 58.31 2eef h LEU 25 Cb 0.04 0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 40.77 2eef h LEU 25 CO -0.03 -0.16 0.66 -0.78 -0.00 0.00 0.00 178.44 178.13 2eef h ASP 26 N -0.72 0.05 0.17 -0.43 3.58 -1.95 0.15 116.42 117.26 2eef h ASP 26 Ca -0.05 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2eef h ASP 26 Cb 0.36 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2eef h ASP 26 CO 0.08 0.02 -0.08 0.15 -2.88 0.00 0.00 179.24 176.53 2eef h PHE 27 N 0.05 -0.21 -0.73 0.28 3.04 -0.73 -3.05 116.94 115.58 2eef h PHE 27 Ca 0.45 -0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.53 2eef h PHE 27 Cb 1.70 0.07 -0.10 0.00 2.56 0.00 0.00 35.95 40.19 2eef h PHE 27 CO -0.00 -0.13 0.25 0.07 -2.02 0.00 0.00 178.31 176.48 2eef h ARG 28 N -0.70 0.37 -0.44 1.11 0.11 -0.49 0.26 114.38 114.60 2eef h ARG 28 Ca -0.02 -0.02 0.10 0.00 0.10 0.00 0.00 59.98 60.13 2eef h ARG 28 Cb 0.17 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.15 2eef h ARG 28 CO 0.04 0.24 0.31 -0.91 0.10 0.00 0.00 179.97 179.75 2eef h ASN 29 N 0.38 0.15 1.01 0.08 2.35 -0.85 0.66 115.58 119.36 2eef h ASN 29 Ca 0.40 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.98 2eef h ASN 29 Cb 0.63 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 2eef h ASN 29 CO -0.43 0.09 -0.86 0.03 -1.65 0.00 0.00 177.43 174.61 2eef h ARG 30 N 0.16 0.00 0.00 0.81 3.08 -0.40 -0.64 114.38 117.39 2eef h ARG 30 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2eef h ARG 30 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2eef h ARG 30 CO -0.03 0.86 -0.17 -0.11 -1.07 0.00 0.00 179.97 179.45 2eef n LEU 31 N -3.40 0.78 -0.08 3.04 7.94 0.04 -0.49 117.00 124.82 2eef n LEU 31 Ca 0.00 0.48 -0.07 0.00 -1.11 0.00 0.00 56.01 55.31 2eef n LEU 31 Cb 0.85 -0.28 -0.14 0.00 0.53 0.00 0.00 43.42 44.38 2eef n LEU 31 CO 0.45 -0.14 -1.05 1.67 -1.11 0.00 0.00 177.39 177.21 2eef n GLN 32 N -2.21 1.02 -0.05 1.96 7.27 -0.15 -2.63 117.38 122.59 2eef n GLN 32 Ca 0.05 -0.03 -0.04 0.00 0.07 0.00 0.00 57.00 57.05 2eef n GLN 32 Cb 0.43 -1.46 -0.14 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 -2.61 1.79 0.31 1.69 0.00 -0.25 -4.40 120.51 117.04 2eef n ALA 33 Ca -0.27 -0.96 0.05 0.00 0.00 0.00 0.00 53.44 52.26 2eef n ALA 33 Cb 1.02 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.74 1.20 -2.18 0.00 2.03 0.35 -5.00 116.55 110.22 2eef n ASP 34 Ca -0.21 -0.49 -0.19 0.00 0.52 0.00 0.00 54.79 54.42 2eef n ASP 34 Cb 0.99 1.16 -0.00 0.00 -0.72 0.00 0.00 41.12 42.54 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 -1.45 -0.98 -3.65 -0.67 8.25 -1.08 -4.82 115.22 110.83 2eef n HIS 35 Ca 0.01 0.05 -0.04 0.00 -0.26 0.00 0.00 57.72 57.48 2eef n HIS 35 Cb 0.19 -3.69 -0.07 0.00 1.12 0.00 0.00 29.99 27.54 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 -2.94 0.00 -0.28 1.59 0.11 -1.23 -3.64 120.40 114.00 2eef s VAL 36 Ca 0.03 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.91 2eef s VAL 36 Cb -0.01 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.95 2eef s VAL 36 CO 0.04 0.00 0.84 0.00 -3.33 0.00 0.00 175.10 172.65 2eef s LEU 38 N 1.32 4.29 0.00 0.00 2.96 -1.26 -0.25 118.68 125.74 2eef s LEU 38 Ca -0.08 1.76 0.00 0.00 -0.22 0.00 0.00 54.13 55.59 2eef s LEU 38 Cb -0.04 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.09 2eef s LEU 38 CO -0.15 -0.51 0.28 1.21 -1.32 0.00 0.00 176.35 175.85 2eef n GLU 39 N 4.92 0.00 -4.01 1.98 2.13 0.15 -4.28 120.64 121.53 2eef n GLU 39 Ca 0.10 0.36 -0.12 0.00 0.66 0.00 0.00 57.16 58.16 2eef n GLU 39 Cb 0.47 -1.02 -0.12 0.00 0.27 0.00 0.00 31.44 31.03 2eef n GLU 39 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2eef s ASN 40 N -2.30 0.41 -0.23 4.31 4.22 -1.22 -3.18 114.94 116.95 2eef s ASN 40 Ca 0.00 -0.35 -0.03 0.00 -2.14 0.00 0.00 52.86 50.34 2eef s ASN 40 Cb 0.00 0.04 0.08 0.00 1.28 0.00 0.00 41.25 42.64 2eef s ASN 40 CO 0.00 -0.16 0.08 0.00 -2.04 0.00 0.00 177.10 174.99 2eef s VAL 42 N 1.95 3.38 0.02 0.00 -7.23 0.94 -4.95 120.40 114.51 2eef s VAL 42 Ca 0.04 -0.72 0.07 0.00 -1.81 0.00 0.00 61.98 59.56 2eef s VAL 42 Cb -0.17 -3.22 -0.02 0.00 0.56 0.00 0.00 36.38 33.53 2eef s VAL 42 CO -0.19 -0.13 -0.20 -0.22 -0.31 0.00 0.00 175.10 174.05 2eef s LEU 43 N -4.53 2.12 0.00 1.32 0.20 -1.26 -2.40 118.68 114.14 2eef s LEU 43 Ca 0.52 -0.47 0.05 0.00 0.69 0.00 0.00 54.13 54.92 2eef s LEU 43 Cb -0.10 -0.99 -0.02 0.00 -0.43 0.00 0.00 46.19 44.65 2eef s LEU 43 CO 0.36 0.19 0.19 0.29 -0.29 0.00 0.00 176.35 177.09 2eef n LYS 44 N 2.10 0.27 -1.48 1.98 5.02 0.12 -4.99 118.16 121.18 2eef n LYS 44 Ca -0.16 -2.20 -0.49 0.00 -2.02 0.00 0.00 58.31 53.44 2eef n LYS 44 Cb 0.53 1.81 -0.06 0.00 -0.02 0.00 0.00 35.03 37.29 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 -2.13 2.40 -4.23 4.39 8.00 -1.26 -1.98 116.55 121.74 2eef n ASP 45 Ca 0.05 0.39 -0.37 0.00 0.71 0.00 0.00 54.79 55.58 2eef n ASP 45 Cb 0.40 -1.32 -0.08 0.00 -0.02 0.00 0.00 41.12 40.10 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 8.24 -0.78 -3.48 -1.24 4.76 -1.26 -4.85 118.16 119.55 2eef n LYS 46 Ca 0.38 0.12 -0.13 0.00 -2.87 0.00 0.00 58.31 55.81 2eef n LYS 46 Cb 0.27 -4.04 -0.03 0.00 -1.84 0.00 0.00 35.03 29.39 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 -3.28 -1.72 0.22 7.82 0.00 -0.84 -1.00 121.76 122.97 2eef s ALA 47 Ca 0.60 0.91 0.02 0.00 0.00 0.00 0.00 51.96 53.50 2eef s ALA 47 Cb -0.35 0.42 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2eef s ALA 47 CO 0.92 -0.61 0.04 0.96 0.00 0.00 0.00 175.76 177.07 2eef s ILE 48 N -2.72 0.74 -0.28 0.00 -4.36 0.26 0.13 121.20 114.98 2eef s ILE 48 Ca -0.02 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.19 2eef s ILE 48 Cb -0.01 -2.38 0.08 0.00 1.25 0.00 0.00 42.46 41.41 2eef s ILE 48 CO -0.05 -0.26 0.72 0.00 0.24 0.00 0.00 174.94 175.59 2eef s ALA 49 N -3.62 -1.87 0.06 2.27 0.00 -1.01 -3.05 121.76 114.53 2eef s ALA 49 Ca 0.30 2.29 -0.26 0.00 0.00 0.00 0.00 51.96 54.29 2eef s ALA 49 Cb 0.07 -1.37 0.08 0.00 0.00 0.00 0.00 23.12 21.90 2eef s ALA 49 CO 0.09 -0.36 0.72 0.20 0.00 0.00 0.00 175.76 176.40 2eef s GLY 50 N 1.23 -0.55 -0.09 0.00 0.00 -0.94 -0.04 107.32 106.93 2eef s GLY 50 Ca -0.07 0.87 0.01 0.00 0.00 0.00 0.00 44.72 45.53 2eef s GLY 50 CO -0.13 0.40 -0.10 -0.51 0.00 0.00 0.00 173.10 172.76 2eef s THR 51 N -2.98 3.44 -0.01 0.90 -4.23 -0.58 -0.84 115.64 111.33 2eef s THR 51 Ca -0.00 -0.56 0.05 0.00 -1.18 0.00 0.00 61.69 60.01 2eef s THR 51 Cb -0.01 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 2eef s THR 51 CO -0.07 0.56 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.71 2eef s VAL 52 N -0.35 2.84 0.10 2.29 1.01 0.61 0.31 120.40 127.20 2eef s VAL 52 Ca 0.04 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2eef s VAL 52 Cb -0.12 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2eef s VAL 52 CO 0.02 0.49 0.25 -0.54 0.00 0.00 0.00 175.10 175.33 2eef s LYS 53 N -0.98 3.44 0.04 2.72 -0.14 0.65 -2.36 119.74 123.11 2eef s LYS 53 Ca 0.13 -0.50 -0.08 0.00 -1.36 0.00 0.00 55.97 54.15 2eef s LYS 53 Cb -0.10 -3.00 -0.00 0.00 -1.68 0.00 0.00 37.83 33.04 2eef s LYS 53 CO 0.02 0.56 0.16 0.14 -0.76 0.00 0.00 175.35 175.48 2eef s VAL 54 N -1.62 0.12 0.29 3.17 -7.23 -1.26 -2.32 120.40 111.56 2eef s VAL 54 Ca 0.35 -0.95 -0.08 0.00 -1.81 0.00 0.00 61.98 59.49 2eef s VAL 54 Cb -0.12 -0.89 -0.06 0.00 0.56 0.00 0.00 36.38 35.87 2eef s VAL 54 CO 0.28 -0.52 0.60 -1.10 -0.31 0.00 0.00 175.10 174.05 2eef s GLN 55 N -2.54 3.73 -1.47 4.82 -1.52 -1.24 -4.34 119.66 117.11 2eef s GLN 55 Ca -0.05 0.22 -0.08 0.00 -1.95 0.00 0.00 55.36 53.49 2eef s GLN 55 Cb -0.01 -2.58 0.02 0.00 -0.22 0.00 0.00 33.01 30.22 2eef s GLN 55 CO -0.04 0.19 2.59 0.09 -0.25 0.00 0.00 175.29 177.88 2eef n ASN 56 N -0.72 7.83 0.06 5.90 3.02 -1.26 -4.63 115.26 125.46 2eef n ASN 56 Ca 0.00 -2.86 -0.09 0.00 -0.03 0.00 0.00 54.58 51.60 2eef n ASN 56 Cb 0.53 -1.48 -0.06 0.00 -0.61 0.00 0.00 39.78 38.17 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2eef h LEU 57 N 6.72 -0.21 -9.54 3.41 3.38 -1.94 -3.47 115.31 113.66 2eef h LEU 57 Ca 0.75 -0.24 -0.57 0.00 0.09 0.00 0.00 57.88 57.91 2eef h LEU 57 Cb 0.34 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 2eef h LEU 57 CO 1.66 0.33 -0.65 0.00 0.09 0.00 0.00 178.44 179.87 2eef s ALA 58 N -3.46 3.14 0.12 1.53 0.00 -1.26 -4.99 121.76 116.83 2eef s ALA 58 Ca -0.10 -1.78 -0.34 0.00 0.00 0.00 0.00 51.96 49.75 2eef s ALA 58 Cb 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 23.12 22.40 2eef s ALA 58 CO 0.35 0.20 1.55 0.27 0.00 0.00 0.00 175.76 178.12 2eef h PHE 59 N 1.89 -1.62 -2.00 0.00 -0.00 -1.99 -3.42 116.94 109.81 2eef h PHE 59 Ca -0.43 0.06 -0.45 0.00 -0.00 0.00 0.00 57.97 57.14 2eef h PHE 59 Cb 1.25 0.72 -0.01 0.00 -0.00 0.00 0.00 35.95 37.92 2eef h PHE 59 CO 0.70 -0.54 -0.40 -1.21 -0.00 0.00 0.00 178.31 176.86 2eef s GLU 60 N -5.68 3.23 0.04 6.09 2.02 -1.26 -5.13 118.70 118.01 2eef s GLU 60 Ca -0.15 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 53.93 2eef s GLU 60 Cb 0.07 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 2eef s GLU 60 CO 0.61 0.25 -0.06 0.15 0.02 0.00 0.00 175.26 176.23 2eef s LYS 61 N -4.06 0.48 -0.45 1.61 1.02 -1.26 -4.86 119.74 112.23 2eef s LYS 61 Ca 0.39 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.62 2eef s LYS 61 Cb -0.09 -0.10 0.13 0.00 -0.52 0.00 0.00 37.83 37.24 2eef s LYS 61 CO 0.30 -0.00 0.21 0.99 -0.92 0.00 0.00 175.35 175.92 2eef s THR 62 N -1.81 1.94 -0.26 2.17 2.01 -1.07 -5.03 115.64 113.59 2eef s THR 62 Ca -0.09 -2.73 -0.12 0.00 0.31 0.00 0.00 61.69 59.06 2eef s THR 62 Cb -0.07 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 2eef s THR 62 CO -0.01 -0.80 0.24 -0.69 -0.69 0.00 0.00 174.62 172.67 2eef s VAL 63 N 0.28 5.28 -0.09 3.82 1.01 -1.26 -1.93 120.40 127.52 2eef s VAL 63 Ca 0.16 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 2eef s VAL 63 Cb -0.24 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2eef s VAL 63 CO -0.03 0.25 0.19 -0.54 0.00 0.00 0.00 175.10 174.98 2eef s LYS 64 N 1.61 0.14 -0.05 2.72 1.02 -0.98 -2.27 119.74 121.94 2eef s LYS 64 Ca 0.10 0.46 -0.18 0.00 0.02 0.00 0.00 55.97 56.37 2eef s LYS 64 Cb -0.15 -0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 36.95 2eef s LYS 64 CO 0.09 -0.17 0.49 0.42 -0.92 0.00 0.00 175.35 175.25 2eef s ILE 65 N 1.26 5.06 -0.26 2.17 -1.09 -0.90 -2.59 121.20 124.84 2eef s ILE 65 Ca -0.09 1.00 0.03 0.00 -2.23 0.00 0.00 60.65 59.36 2eef s ILE 65 Cb -0.11 -3.82 0.06 0.00 -1.58 0.00 0.00 42.46 37.02 2eef s ILE 65 CO -0.07 0.43 -0.10 -0.13 -1.23 0.00 0.00 174.94 173.84 2eef s ARG 66 N -0.12 2.16 0.00 2.79 3.00 -1.14 -2.27 118.95 123.37 2eef s ARG 66 Ca 0.26 -1.37 0.08 0.00 0.00 0.00 0.00 55.73 54.70 2eef s ARG 66 Cb -0.16 -2.90 -0.02 0.00 0.00 0.00 0.00 34.95 31.86 2eef s ARG 66 CO 0.13 -0.60 -0.25 1.41 0.00 0.00 0.00 175.30 175.99 2eef s MET 67 N 1.10 1.89 0.27 3.54 -2.45 -1.26 -1.56 119.30 120.83 2eef s MET 67 Ca -0.07 -0.94 0.11 0.00 -1.25 0.00 0.00 55.69 53.53 2eef s MET 67 Cb -0.20 -1.91 -0.05 0.00 1.25 0.00 0.00 34.83 33.93 2eef s MET 67 CO -0.05 0.51 -0.16 -0.08 1.05 0.00 0.00 175.02 176.29 2eef s THR 68 N -0.65 2.70 -0.02 10.11 -1.32 0.04 -3.60 115.64 122.89 2eef s THR 68 Ca 0.10 -2.27 0.03 0.00 -1.21 0.00 0.00 61.69 58.35 2eef s THR 68 Cb -0.10 -2.42 0.05 0.00 -1.51 0.00 0.00 72.50 68.53 2eef s THR 68 CO 0.00 -0.37 0.87 0.49 -2.21 0.00 0.00 174.62 173.39 2eef n PHE 69 N -0.62 0.00 -2.52 9.09 3.01 -1.24 -2.59 117.46 122.59 2eef n PHE 69 Ca -0.06 -0.25 -0.13 0.00 1.01 0.00 0.00 57.45 58.01 2eef n PHE 69 Cb 0.59 -0.05 0.03 0.00 -0.01 0.00 0.00 39.48 40.04 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 -0.33 3.00 -3.78 4.37 8.00 -1.22 -4.35 116.55 122.23 2eef n ASP 70 Ca 0.03 -2.94 -0.26 0.00 0.71 0.00 0.00 54.79 52.33 2eef n ASP 70 Cb 0.55 -0.45 0.04 0.00 -0.02 0.00 0.00 41.12 41.24 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 -0.49 -3.11 -3.14 -3.53 -1.04 -1.23 -2.03 114.28 99.71 2eef n THR 71 Ca 0.23 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.05 61.92 2eef n THR 71 Cb 0.82 -3.40 0.06 0.00 -1.82 0.00 0.00 70.33 66.00 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 -4.58 -1.78 0.00 -1.42 7.02 -1.26 -4.93 117.44 110.49 2eef n TRP 72 Ca -0.08 0.72 0.00 0.00 -1.02 0.00 0.00 57.50 57.11 2eef n TRP 72 Cb 0.58 -4.22 0.00 0.00 -2.42 0.00 0.00 31.31 25.25 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 -3.48 2.99 -3.36 -0.99 5.02 -0.86 -5.03 118.16 112.44 2eef n LYS 73 Ca -0.15 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.16 2eef n LYS 73 Cb 0.60 -0.75 -0.04 0.00 -0.02 0.00 0.00 35.03 34.82 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 -1.46 -0.43 0.25 4.39 0.15 -1.26 -5.03 113.70 110.30 2eef s SER 74 Ca 0.00 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.25 2eef s SER 74 Cb 0.00 1.47 -0.03 0.00 -1.71 0.00 0.00 66.02 65.75 2eef s SER 74 CO 0.00 -0.08 0.22 -0.72 1.20 0.00 0.00 173.24 173.85 2eef s TYR 75 N 2.26 1.25 0.04 3.44 -0.85 -1.26 -3.73 117.35 118.49 2eef s TYR 75 Ca -0.02 -1.40 0.07 0.00 -0.52 0.00 0.00 57.07 55.19 2eef s TYR 75 Cb -0.04 -0.52 -0.02 0.00 0.38 0.00 0.00 41.96 41.76 2eef s TYR 75 CO -0.17 -0.76 -0.20 0.99 -1.52 0.00 0.00 175.55 173.90 2eef s THR 76 N -3.89 1.57 -0.35 -3.49 2.01 -1.24 -5.03 115.64 105.21 2eef s THR 76 Ca 0.38 -1.13 -0.22 0.00 0.31 0.00 0.00 61.69 61.02 2eef s THR 76 Cb 0.05 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 71.20 2eef s THR 76 CO 0.16 0.20 0.74 1.51 -0.69 0.00 0.00 174.62 176.54 2eef s ASP 77 N -1.10 6.54 -0.25 3.53 -4.77 -1.26 -4.09 116.67 115.27 2eef s ASP 77 Ca 0.07 0.36 -0.08 0.00 -3.30 0.00 0.00 52.55 49.60 2eef s ASP 77 Cb -0.08 -2.38 -0.04 0.00 -1.09 0.00 0.00 42.92 39.33 2eef s ASP 77 CO 0.01 -0.67 0.10 -0.36 0.70 0.00 0.00 175.17 174.96 2eef s PHE 78 N 2.96 3.14 0.23 2.11 0.08 -0.96 -5.01 117.98 120.53 2eef s PHE 78 Ca 0.30 -0.23 -0.30 0.00 0.12 0.00 0.00 56.93 56.82 2eef s PHE 78 Cb -0.14 -2.26 -0.09 0.00 -0.57 0.00 0.00 43.02 39.97 2eef s PHE 78 CO 0.15 -0.25 1.28 -1.25 -0.10 0.00 0.00 175.22 175.05 2eef s PRO 79 N 1.51 4.42 0.45 0.24 0.04 -1.26 -2.12 135.00 138.27 2eef s PRO 79 Ca 0.06 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 2eef s PRO 79 Cb -0.15 -3.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.15 2eef s PRO 79 CO 0.05 -0.18 0.85 0.00 0.04 0.00 0.00 177.00 177.76 2eef s GLN 81 N -3.95 2.59 -0.20 0.00 -1.52 0.53 -4.93 119.66 112.18 2eef s GLN 81 Ca 0.54 -1.43 -0.08 0.00 -1.95 0.00 0.00 55.36 52.44 2eef s GLN 81 Cb -0.10 -2.38 -0.04 0.00 -0.22 0.00 0.00 33.01 30.27 2eef s GLN 81 CO 0.32 -0.00 0.07 -0.47 -0.25 0.00 0.00 175.29 174.96 2eef s TYR 82 N -2.39 3.23 -0.35 0.91 5.04 -1.26 -0.83 117.35 121.70 2eef s TYR 82 Ca 0.43 0.01 -0.12 0.00 -2.44 0.00 0.00 57.07 54.95 2eef s TYR 82 Cb -0.04 -2.12 -0.00 0.00 0.35 0.00 0.00 41.96 40.15 2eef s TYR 82 CO 0.26 0.07 0.22 0.08 -1.34 0.00 0.00 175.55 174.84 2eef s VAL 83 N 0.61 4.95 -0.35 3.14 1.01 -0.80 -4.90 120.40 124.06 2eef s VAL 83 Ca 0.04 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2eef s VAL 83 Cb -0.13 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2eef s VAL 83 CO 0.01 -0.07 0.15 -0.75 0.00 0.00 0.00 175.10 174.44 2eef s LYS 84 N 1.65 2.74 0.15 2.72 2.36 -1.26 -4.60 119.74 123.50 2eef s LYS 84 Ca 0.05 -1.11 -0.21 0.00 -2.55 0.00 0.00 55.97 52.15 2eef s LYS 84 Cb -0.18 -3.58 0.06 0.00 -1.05 0.00 0.00 37.83 33.08 2eef s LYS 84 CO 0.08 -0.67 0.54 0.16 1.55 0.00 0.00 175.35 177.02 2eef s ASP 85 N 1.48 -0.47 0.37 1.43 1.47 -1.26 -5.01 116.67 114.68 2eef s ASP 85 Ca 0.00 -0.10 0.15 0.00 1.18 0.00 0.00 52.55 53.77 2eef s ASP 85 Cb -0.19 0.57 1.00 0.00 -0.34 0.00 0.00 42.92 43.96 2eef s ASP 85 CO 0.05 -0.94 1.78 0.00 0.68 0.00 0.00 175.17 176.73 2eef h THR 86 N 2.11 0.58 -0.39 2.11 1.03 -2.01 0.76 112.91 117.10 2eef h THR 86 Ca -0.34 -0.17 -0.07 0.00 -0.01 0.00 0.00 66.41 65.82 2eef h THR 86 Cb 1.29 0.04 -0.01 0.00 -1.07 0.00 0.00 68.15 68.40 2eef h THR 86 CO 0.40 0.09 -0.03 1.88 -0.01 0.00 0.00 175.52 177.85 2eef h TYR 87 N 0.49 0.78 -0.87 0.00 0.05 -1.99 -3.45 116.97 111.98 2eef h TYR 87 Ca 0.58 -0.15 -0.73 0.00 0.05 0.00 0.00 58.73 58.48 2eef h TYR 87 Cb 1.31 -0.20 0.02 0.00 1.01 0.00 0.00 36.73 38.88 2eef h TYR 87 CO -0.00 0.81 0.38 0.00 -1.05 0.00 0.00 178.16 178.29 2eef n ALA 88 N -2.41 -2.03 -1.39 3.88 0.00 0.26 -4.70 120.51 114.11 2eef n ALA 88 Ca -0.01 0.47 -0.48 0.00 0.00 0.00 0.00 53.44 53.42 2eef n ALA 88 Cb 0.31 -1.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 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 2.59 -1.64 0.17 0.00 0.00 -1.26 -4.86 105.19 100.20 2eef n GLY 89 Ca 0.23 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.51 2eef n GLY 89 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2eef h SER 90 N 1.12 0.47 0.00 1.61 0.87 -1.91 -3.39 113.55 112.33 2eef h SER 90 Ca -0.29 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 2eef h SER 90 Cb 1.42 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2eef h SER 90 CO 0.57 0.59 -0.25 0.47 -0.53 0.00 0.00 176.83 177.68 2eef n ASP 91 N -4.65 0.75 -4.74 6.23 9.92 -1.26 -4.97 116.55 117.83 2eef n ASP 91 Ca -0.02 0.35 -0.31 0.00 -0.53 0.00 0.00 54.79 54.28 2eef n ASP 91 Cb 0.20 -0.64 0.11 0.00 -0.64 0.00 0.00 41.12 40.15 2eef n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2eef s ARG 92 N -1.56 1.87 0.21 -1.24 1.70 -1.26 -5.00 118.95 113.67 2eef s ARG 92 Ca -0.07 1.31 0.07 0.00 -0.47 0.00 0.00 55.73 56.57 2eef s ARG 92 Cb 0.01 -1.84 -0.04 0.00 -0.57 0.00 0.00 34.95 32.51 2eef s ARG 92 CO 0.11 -1.95 0.13 -0.51 -1.08 0.00 0.00 175.30 172.00 2eef s ASP 93 N -3.10 5.35 -0.25 -2.89 1.11 -1.26 -4.03 116.67 111.61 2eef s ASP 93 Ca 0.63 -0.26 0.02 0.00 0.18 0.00 0.00 52.55 53.12 2eef s ASP 93 Cb -0.19 -1.32 0.06 0.00 1.07 0.00 0.00 42.92 42.53 2eef s ASP 93 CO 0.56 0.02 -0.08 -0.89 1.18 0.00 0.00 175.17 175.95 2eef s THR 94 N -1.97 1.85 -0.17 -1.27 2.01 -1.26 -3.99 115.64 110.84 2eef s THR 94 Ca 0.31 -1.43 -0.11 0.00 0.31 0.00 0.00 61.69 60.78 2eef s THR 94 Cb -0.09 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 2eef s THR 94 CO 0.23 -0.07 0.18 -0.36 -0.69 0.00 0.00 174.62 173.92 2eef s PHE 95 N 1.25 3.46 0.07 4.92 0.40 -0.99 -1.90 117.98 125.18 2eef s PHE 95 Ca -0.07 0.44 0.02 0.00 -0.60 0.00 0.00 56.93 56.72 2eef s PHE 95 Cb -0.19 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 2eef s PHE 95 CO -0.06 0.35 0.10 0.45 0.70 0.00 0.00 175.22 176.77 2eef s SER 96 N 0.15 5.71 -0.04 1.36 0.15 -0.01 -0.29 113.70 120.73 2eef s SER 96 Ca 0.12 0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.86 2eef s SER 96 Cb -0.12 -1.59 0.01 0.00 -1.71 0.00 0.00 66.02 62.60 2eef s SER 96 CO 0.01 0.18 -0.11 0.72 1.20 0.00 0.00 173.24 175.24 2eef s PHE 97 N -1.39 1.21 -0.26 3.44 -0.12 -0.02 -0.35 117.98 120.49 2eef s PHE 97 Ca 0.30 -0.35 -0.01 0.00 -0.05 0.00 0.00 56.93 56.82 2eef s PHE 97 Cb -0.12 -0.86 0.08 0.00 -0.63 0.00 0.00 43.02 41.48 2eef s PHE 97 CO 0.22 -0.16 0.04 0.16 -0.05 0.00 0.00 175.22 175.44 2eef s ASP 98 N 0.30 3.74 -0.10 1.98 -4.77 -1.26 -2.21 116.67 114.35 2eef s ASP 98 Ca -0.06 -1.34 -0.02 0.00 -3.30 0.00 0.00 52.55 47.83 2eef s ASP 98 Cb -0.11 -0.91 -0.03 0.00 -1.09 0.00 0.00 42.92 40.77 2eef s ASP 98 CO 0.01 -0.34 -0.03 -0.63 0.70 0.00 0.00 175.17 174.88 2eef s ILE 99 N 1.58 4.02 -0.58 2.11 1.01 -1.17 -4.96 121.20 123.22 2eef s ILE 99 Ca 0.03 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.15 2eef s ILE 99 Cb -0.18 -2.70 0.10 0.00 0.01 0.00 0.00 42.46 39.69 2eef s ILE 99 CO -0.15 0.57 0.68 -0.94 0.00 0.00 0.00 174.94 175.10 2eef s SER 100 N -0.50 6.19 0.60 3.58 1.04 -1.26 -0.58 113.70 122.78 2eef s SER 100 Ca 0.08 -1.37 -0.16 0.00 0.48 0.00 0.00 55.95 54.98 2eef s SER 100 Cb -0.12 -2.29 -0.13 0.00 0.10 0.00 0.00 66.02 63.57 2eef s SER 100 CO 0.02 -1.07 -0.32 0.18 0.98 0.00 0.00 173.24 173.04 2eef n LEU 101 N 6.25 -4.01 0.00 2.42 4.77 -0.17 -4.89 117.00 121.36 2eef n LEU 101 Ca -0.09 0.44 -0.19 0.00 -0.03 0.00 0.00 56.01 56.14 2eef n LEU 101 Cb 0.43 -0.74 0.16 0.00 -2.33 0.00 0.00 43.42 40.94 2eef n LEU 101 CO 0.57 -4.68 0.38 -0.81 -1.33 0.00 0.00 177.39 171.53 2eef n PRO 102 N 1.65 -2.37 0.11 3.23 -0.04 -1.26 -4.81 135.00 131.51 2eef n PRO 102 Ca 0.04 -1.10 -0.13 0.00 -0.04 0.00 0.00 63.50 62.27 2eef n PRO 102 Cb 0.45 -1.04 -0.06 0.00 -0.04 0.00 0.00 33.50 32.82 2eef n PRO 102 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2eef h GLU 103 N 0.00 -0.40 -3.19 0.54 4.11 -1.98 -3.46 114.58 110.20 2eef h GLU 103 Ca -0.26 0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.17 2eef h GLU 103 Cb 0.79 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.02 2eef h GLU 103 CO 0.17 -0.27 0.08 0.15 0.07 0.00 0.00 179.01 179.22 2eef s LYS 104 N -6.09 1.23 -0.09 1.06 1.02 -1.26 -5.07 119.74 110.53 2eef s LYS 104 Ca -0.15 -0.62 -0.07 0.00 0.02 0.00 0.00 55.97 55.15 2eef s LYS 104 Cb 0.08 0.54 0.03 0.00 -0.52 0.00 0.00 37.83 37.96 2eef s LYS 104 CO 0.65 -0.52 0.23 0.42 -0.92 0.00 0.00 175.35 175.21 2eef s ILE 105 N -3.79 -0.02 0.32 2.17 1.01 -1.26 -5.16 121.20 114.47 2eef s ILE 105 Ca 0.03 0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.78 2eef s ILE 105 Cb -0.00 -0.34 -0.01 0.00 0.01 0.00 0.00 42.46 42.12 2eef s ILE 105 CO -0.11 0.03 0.12 0.00 0.00 0.00 0.00 174.94 174.98 2eef n GLN 106 N 3.51 0.64 0.09 2.79 1.13 -1.26 -5.06 117.38 119.22 2eef n GLN 106 Ca -0.18 -2.70 -0.13 0.00 -1.94 0.00 0.00 57.00 52.05 2eef n GLN 106 Cb 0.56 1.51 -0.08 0.00 0.11 0.00 0.00 30.24 32.34 2eef n GLN 106 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2eef h SER 107 N 1.29 -0.15 -1.14 1.08 4.64 -2.02 -2.74 113.55 114.52 2eef h SER 107 Ca -0.25 -0.09 0.38 0.00 -0.47 0.00 0.00 61.79 61.37 2eef h SER 107 Cb 0.95 0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 62.98 2eef h SER 107 CO 0.39 -0.01 0.75 0.00 -0.87 0.00 0.00 176.83 177.08 2eef n TYR 108 N -5.12 0.49 -4.30 4.77 4.11 -1.26 -4.24 117.16 111.61 2eef n TYR 108 Ca -0.08 0.49 -0.24 0.00 -0.00 0.00 0.00 57.90 58.07 2eef n TYR 108 Cb 0.14 -0.90 -0.08 0.00 -0.00 0.00 0.00 39.34 38.50 2eef n TYR 108 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 2eef s GLU 109 N -4.84 2.21 0.25 -3.48 -1.05 -1.03 -5.01 118.70 105.74 2eef s GLU 109 Ca -0.06 -1.39 0.10 0.00 -0.15 0.00 0.00 54.97 53.47 2eef s GLU 109 Cb 0.24 -2.15 -0.04 0.00 -0.44 0.00 0.00 34.13 31.74 2eef s GLU 109 CO 0.65 0.38 -0.05 0.50 0.95 0.00 0.00 175.26 177.69 2eef s ARG 110 N -3.42 2.16 -0.09 -4.83 3.52 -1.26 -4.61 118.95 110.42 2eef s ARG 110 Ca 0.30 -1.44 -0.03 0.00 -0.13 0.00 0.00 55.73 54.42 2eef s ARG 110 Cb -0.07 -2.10 0.04 0.00 -1.56 0.00 0.00 34.95 31.26 2eef s ARG 110 CO 0.18 0.37 0.07 1.41 -0.81 0.00 0.00 175.30 176.52 2eef s MET 111 N -3.49 0.01 0.04 5.12 -2.45 -1.26 -3.46 119.30 113.81 2eef s MET 111 Ca 0.30 0.20 -0.02 0.00 -1.25 0.00 0.00 55.69 54.92 2eef s MET 111 Cb -0.07 -1.00 -0.03 0.00 1.25 0.00 0.00 34.83 34.99 2eef s MET 111 CO 0.18 -0.45 0.01 -1.21 1.05 0.00 0.00 175.02 174.60 2eef s GLU 112 N 2.15 0.52 -0.02 4.11 8.01 -1.07 -2.57 118.70 129.82 2eef s GLU 112 Ca 0.04 -0.90 -0.01 0.00 0.01 0.00 0.00 54.97 54.10 2eef s GLU 112 Cb -0.13 0.19 0.02 0.00 -4.31 0.00 0.00 34.13 29.89 2eef s GLU 112 CO -0.05 -0.11 0.05 -0.59 0.01 0.00 0.00 175.26 174.57 2eef s PHE 113 N -2.81 -0.04 -0.07 1.61 -0.12 -1.25 -0.78 117.98 114.52 2eef s PHE 113 Ca -0.03 0.16 0.03 0.00 -0.05 0.00 0.00 56.93 57.04 2eef s PHE 113 Cb -0.00 -0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.33 2eef s PHE 113 CO -0.06 -0.06 -0.17 0.00 -0.05 0.00 0.00 175.22 174.89 2eef s ALA 114 N 0.44 1.58 0.27 1.99 0.00 -0.60 -4.12 121.76 121.32 2eef s ALA 114 Ca -0.04 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 2eef s ALA 114 Cb -0.05 -0.61 -0.09 0.00 0.00 0.00 0.00 23.12 22.36 2eef s ALA 114 CO -0.02 0.21 1.21 0.08 0.00 0.00 0.00 175.76 177.25 2eef s VAL 115 N 0.39 3.21 -0.30 0.00 1.01 -1.18 -2.89 120.40 120.65 2eef s VAL 115 Ca -0.13 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.00 2eef s VAL 115 Cb -0.15 -3.73 0.09 0.00 0.00 0.00 0.00 36.38 32.59 2eef s VAL 115 CO 0.05 0.24 0.07 -0.47 0.00 0.00 0.00 175.10 174.99 2eef s TYR 116 N -0.76 2.16 -0.38 5.22 5.04 -1.07 -2.74 117.35 124.81 2eef s TYR 116 Ca 0.49 -1.94 -0.08 0.00 -2.44 0.00 0.00 57.07 53.11 2eef s TYR 116 Cb -0.35 -1.90 0.06 0.00 0.35 0.00 0.00 41.96 40.12 2eef s TYR 116 CO 0.44 -0.86 0.19 -0.47 -1.34 0.00 0.00 175.55 173.50 2eef s TYR 117 N 1.46 3.32 -0.02 4.97 5.04 -1.05 -2.31 117.35 128.77 2eef s TYR 117 Ca 0.08 -1.53 -0.17 0.00 -2.44 0.00 0.00 57.07 53.01 2eef s TYR 117 Cb -0.18 -2.68 -0.05 0.00 0.35 0.00 0.00 41.96 39.40 2eef s TYR 117 CO -0.18 -0.80 0.47 -2.00 -1.34 0.00 0.00 175.55 171.70 2eef s GLU 118 N 1.40 4.13 -0.28 4.97 2.12 -0.81 -2.63 118.70 127.61 2eef s GLU 118 Ca 0.02 0.51 -0.26 0.00 0.36 0.00 0.00 54.97 55.60 2eef s GLU 118 Cb -0.21 -3.30 0.14 0.00 0.26 0.00 0.00 34.13 31.02 2eef s GLU 118 CO 0.02 0.49 1.14 0.00 -0.54 0.00 0.00 175.26 176.38 2eef n ASN 120 N 1.89 -5.61 -2.44 0.00 3.02 -1.26 -1.26 115.26 109.60 2eef n ASN 120 Ca -0.11 -0.60 -0.20 0.00 -0.03 0.00 0.00 54.58 53.64 2eef n ASN 120 Cb 0.56 -4.46 0.01 0.00 -0.61 0.00 0.00 39.78 35.28 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 -1.78 -0.43 2.29 7.41 0.00 -1.26 -4.99 105.19 106.43 2eef n GLY 121 Ca 0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2eef n GLY 121 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2eef n GLN 122 N -3.22 1.10 -3.36 1.61 1.13 -0.39 -5.15 117.38 109.10 2eef n GLN 122 Ca -0.18 -2.34 -0.03 0.00 -1.94 0.00 0.00 57.00 52.51 2eef n GLN 122 Cb 0.65 0.76 -0.05 0.00 0.11 0.00 0.00 30.24 31.71 2eef n GLN 122 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2eef s THR 123 N -2.25 -0.80 -0.14 5.09 2.01 -1.26 -3.42 115.64 114.86 2eef s THR 123 Ca 0.03 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 2eef s THR 123 Cb 0.00 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 2eef s THR 123 CO 0.02 -0.03 0.07 -0.31 -0.69 0.00 0.00 174.62 173.67 2eef s TYR 124 N 2.71 3.31 -0.22 4.92 2.02 -1.08 -4.99 117.35 124.03 2eef s TYR 124 Ca 0.11 0.22 0.01 0.00 -0.37 0.00 0.00 57.07 57.03 2eef s TYR 124 Cb -0.14 -1.97 0.05 0.00 -0.40 0.00 0.00 41.96 39.50 2eef s TYR 124 CO -0.18 0.38 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.53 2eef s TRP 125 N -0.28 2.35 -0.41 2.71 0.52 -1.26 -2.52 118.94 120.05 2eef s TRP 125 Ca 0.08 -1.64 -0.10 0.00 0.02 0.00 0.00 56.10 54.46 2eef s TRP 125 Cb -0.12 -1.58 0.06 0.00 -1.15 0.00 0.00 33.47 30.68 2eef s TRP 125 CO 0.01 -0.75 0.25 0.34 0.02 0.00 0.00 176.95 176.82 2eef s ASP 126 N 1.41 5.70 -0.36 2.95 2.15 -1.11 -4.97 116.67 122.45 2eef s ASP 126 Ca -0.04 -1.30 0.02 0.00 0.43 0.00 0.00 52.55 51.66 2eef s ASP 126 Cb -0.18 -2.01 0.11 0.00 -0.30 0.00 0.00 42.92 40.54 2eef s ASP 126 CO -0.07 -0.49 0.12 -0.94 -0.17 0.00 0.00 175.17 173.62 2eef s SER 127 N 1.94 4.25 -0.40 -0.34 1.04 -1.26 -3.12 113.70 115.81 2eef s SER 127 Ca 0.02 -2.09 -0.05 0.00 0.48 0.00 0.00 55.95 54.31 2eef s SER 127 Cb -0.22 -1.22 0.05 0.00 0.10 0.00 0.00 66.02 64.73 2eef s SER 127 CO 0.04 -0.36 0.13 0.59 0.98 0.00 0.00 173.24 174.61 2eef n ASN 128 N 4.28 -0.92 -2.52 7.02 4.13 -1.26 -0.25 115.26 125.74 2eef n ASN 128 Ca 0.02 0.01 -0.09 0.00 1.68 0.00 0.00 54.58 56.20 2eef n ASN 128 Cb 0.40 -0.88 -0.02 0.00 -1.54 0.00 0.00 39.78 37.75 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 -2.24 -2.00 0.00 3.52 1.74 -1.26 -4.23 116.66 112.20 2eef n ARG 129 Ca 0.03 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2eef n ARG 129 Cb 0.36 -3.41 0.00 0.00 -1.02 0.00 0.00 32.46 28.39 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 -0.53 -0.87 0.00 -0.13 0.00 0.65 -4.21 105.19 100.09 2eef n GLY 130 Ca 0.03 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -3.62 1.61 4.76 -1.25 -4.90 118.16 114.76 2eef n LYS 131 Ca 0.00 0.09 0.01 0.00 -2.87 0.00 0.00 58.31 55.55 2eef n LYS 131 Cb 0.00 -0.44 -0.01 0.00 -1.84 0.00 0.00 35.03 32.75 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 -2.23 -0.06 -1.09 4.39 2.20 -1.26 -4.82 114.94 112.07 2eef s ASN 132 Ca 0.00 -0.13 -0.22 0.00 -0.94 0.00 0.00 52.86 51.57 2eef s ASN 132 Cb 0.00 0.16 0.05 0.00 -2.00 0.00 0.00 41.25 39.46 2eef s ASN 132 CO 0.00 -0.30 1.55 -0.31 -2.94 0.00 0.00 177.10 175.10 2eef s TYR 133 N -2.43 2.56 -0.22 1.54 2.02 -1.26 -4.62 117.35 114.94 2eef s TYR 133 Ca 0.14 -0.96 -0.29 0.00 -0.37 0.00 0.00 57.07 55.59 2eef s TYR 133 Cb 0.05 -4.68 -0.02 0.00 -0.40 0.00 0.00 41.96 36.91 2eef s TYR 133 CO -0.04 -1.89 1.41 0.50 -1.57 0.00 0.00 175.55 173.96 2eef s ARG 134 N 4.89 3.98 -0.47 -0.62 3.52 -1.26 -3.78 118.95 125.21 2eef s ARG 134 Ca 0.49 1.54 -0.11 0.00 -0.13 0.00 0.00 55.73 57.52 2eef s ARG 134 Cb 0.01 -3.91 0.10 0.00 -1.56 0.00 0.00 34.95 29.59 2eef s ARG 134 CO -0.05 -1.05 0.35 0.42 -0.81 0.00 0.00 175.30 174.16 2eef s ILE 135 N 4.38 4.54 0.70 4.11 1.01 -1.06 -2.67 121.20 132.22 2eef s ILE 135 Ca 0.62 -1.50 0.02 0.00 0.00 0.00 0.00 60.65 59.79 2eef s ILE 135 Cb -0.22 -3.87 0.13 0.00 0.01 0.00 0.00 42.46 38.52 2eef s ILE 135 CO 0.23 -0.67 0.97 0.27 0.00 0.00 0.00 174.94 175.74 2eef s ILE 136 N 1.47 2.06 0.67 2.92 -4.36 -1.13 -4.74 121.20 118.09 2eef s ILE 136 Ca 0.04 -0.70 -0.06 0.00 -0.26 0.00 0.00 60.65 59.67 2eef s ILE 136 Cb -0.26 -2.36 0.04 0.00 1.25 0.00 0.00 42.46 41.14 2eef s ILE 136 CO 0.02 0.00 0.98 -0.60 0.24 0.00 0.00 174.94 175.57 2eef s ARG 137 N -5.06 2.43 0.28 0.37 3.52 -1.26 -0.76 118.95 118.47 2eef s ARG 137 Ca 0.66 -0.18 0.24 0.00 -0.13 0.00 0.00 55.73 56.32 2eef s ARG 137 Cb -0.05 -2.21 0.47 0.00 -1.56 0.00 0.00 34.95 31.61 2eef s ARG 137 CO 0.44 -1.06 1.56 0.00 -0.81 0.00 0.00 175.30 175.43 2eef h ALA 138 N -0.45 0.88 0.00 6.12 0.00 -1.46 -2.72 119.26 121.61 2eef h ALA 138 Ca -0.45 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 2eef h ALA 138 Cb 1.30 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2eef h ALA 138 CO 0.60 0.00 -1.82 -0.85 0.00 0.00 0.00 179.25 177.18 2eef n GLU 139 N -2.60 0.65 0.10 0.00 0.28 -1.26 -4.32 120.64 113.50 2eef n GLU 139 Ca 0.04 0.07 -0.21 0.00 -0.16 0.00 0.00 57.16 56.90 2eef n GLU 139 Cb 0.48 -1.67 -0.15 0.00 1.43 0.00 0.00 31.44 31.54 2eef n GLU 139 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2eef h LEU 140 N 0.00 0.63 -9.02 -1.84 3.38 -1.94 -3.46 115.31 103.06 2eef h LEU 140 Ca -0.24 -0.78 -0.85 0.00 0.09 0.00 0.00 57.88 56.10 2eef h LEU 140 Cb 1.66 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 42.23 2eef h LEU 140 CO 0.03 1.64 0.60 1.17 0.09 0.00 0.00 178.44 181.97 2eef n LYS 141 N -3.60 0.15 -3.72 1.13 0.00 -1.03 -4.93 118.16 106.15 2eef n LYS 141 Ca -0.18 0.05 -0.14 0.00 0.00 0.00 0.00 58.31 58.05 2eef n LYS 141 Cb 1.07 -1.58 -0.09 0.00 0.00 0.00 0.00 35.03 34.44 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 2.50 -0.38 0.37 3.14 0.15 -1.26 -5.03 113.70 113.18 2eef s SER 142 Ca 1.01 0.59 -0.27 0.00 0.70 0.00 0.00 55.95 57.98 2eef s SER 142 Cb -1.40 0.65 -0.11 0.00 -1.71 0.00 0.00 66.02 63.45 2eef s SER 142 CO 0.75 -0.29 1.31 0.41 1.20 0.00 0.00 173.24 176.63 2eef n THR 143 N 2.15 2.17 0.00 6.45 -1.04 -1.26 -4.92 114.28 117.83 2eef n THR 143 Ca -0.16 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 2eef n THR 143 Cb 0.57 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 2eef n THR 143 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2eef n GLN 144 N 0.38 0.00 -0.25 -2.82 -0.06 -1.26 -5.16 117.38 108.20 2eef n GLN 144 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 2eef n GLN 144 Cb 0.38 -0.72 0.00 0.00 -4.06 0.00 0.00 30.24 25.84 2eef n GLN 144 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2eef n GLY 145 N 2.92 0.47 3.33 1.69 0.00 -1.26 -5.01 105.19 107.33 2eef n GLY 145 Ca 0.00 -1.46 -0.47 0.00 0.00 0.00 0.00 46.02 44.09 2eef n GLY 145 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2eef s MET 146 N -2.00 3.53 0.41 1.61 -1.94 -1.26 -5.05 119.30 114.60 2eef s MET 146 Ca 0.00 -2.34 -0.27 0.00 -1.71 0.00 0.00 55.69 51.37 2eef s MET 146 Cb 0.00 -4.43 -0.10 0.00 2.01 0.00 0.00 34.83 32.32 2eef s MET 146 CO 0.00 -1.31 1.42 0.95 -0.01 0.00 0.00 175.02 176.07 2eef s THR 147 N 0.44 2.19 -0.04 2.05 -4.23 -1.26 -5.02 115.64 109.78 2eef s THR 147 Ca 0.17 0.18 0.03 0.00 -1.18 0.00 0.00 61.69 60.89 2eef s THR 147 Cb -0.12 -3.11 -0.03 0.00 1.34 0.00 0.00 72.50 70.58 2eef s THR 147 CO -0.07 0.03 -0.11 -0.75 -0.54 0.00 0.00 174.62 173.18 2eef s LYS 148 N -2.23 2.54 0.07 3.99 2.20 -1.26 -5.09 119.74 119.95 2eef s LYS 148 Ca 0.56 -0.69 -0.31 0.00 -0.36 0.00 0.00 55.97 55.18 2eef s LYS 148 Cb -0.44 -2.44 -0.07 0.00 -1.51 0.00 0.00 37.83 33.38 2eef s LYS 148 CO 0.58 0.62 1.39 -1.25 -0.36 0.00 0.00 175.35 176.33 2eef s PRO 149 N -0.93 4.31 -0.25 4.03 0.04 -1.26 -4.93 135.00 136.01 2eef s PRO 149 Ca 0.13 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.19 2eef s PRO 149 Cb -0.11 -3.38 -0.16 0.00 0.04 0.00 0.00 34.50 30.89 2eef s PRO 149 CO 0.02 -0.49 -0.24 0.72 0.04 0.00 0.00 177.00 177.06 2eef n HIS 150 N 4.52 0.00 -3.84 0.56 8.25 -1.26 -5.02 115.22 118.43 2eef n HIS 150 Ca 0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.46 2eef n HIS 150 Cb 0.43 -0.96 -0.10 0.00 1.12 0.00 0.00 29.99 30.48 2eef n HIS 150 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2eef s SER 151 N -6.56 -0.07 0.00 0.41 1.04 -1.26 -5.18 113.70 102.08 2eef s SER 151 Ca -0.34 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2eef s SER 151 Cb 0.09 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2eef s SER 151 CO 0.56 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.08 2eef n GLY 152 N 1.80 3.42 0.00 7.32 0.00 -1.26 -4.84 105.19 111.63 2eef n GLY 152 Ca -0.20 -2.15 0.08 0.00 0.00 0.00 0.00 46.02 43.75 2eef n GLY 152 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eef n PRO 153 N -0.40 0.40 -2.50 1.61 -0.04 -1.26 -4.83 135.00 127.98 2eef n PRO 153 Ca 0.00 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 2eef n PRO 153 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2eef n PRO 153 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2eef n ASP 154 N -1.09 -1.59 0.21 3.54 5.75 -1.26 -4.80 116.55 117.31 2eef n ASP 154 Ca 0.10 0.43 -0.14 0.00 -0.01 0.00 0.00 54.79 55.17 2eef n ASP 154 Cb 0.07 -1.47 -0.07 0.00 -1.03 0.00 0.00 41.12 38.62 2eef n ASP 154 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2eef h LEU 155 N -0.01 -1.06 0.00 -2.12 6.46 -2.03 -3.57 115.31 112.98 2eef h LEU 155 Ca -0.06 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2eef h LEU 155 Cb 1.05 0.35 0.00 0.00 -0.73 0.00 0.00 40.66 41.33 2eef h LEU 155 CO 0.08 -0.50 0.00 0.61 -0.62 0.00 0.00 178.44 178.01